*HEADER    DE NOVO PROTEIN                         22-DEC-16   5UCE              
*TITLE     SOLUTION NMR STRUCTURE OF THE MAJOR SPECIES OF DANCER-2, A DYNAMIC AND
*TITLE    2 NATIVELY FOLDED PENTAMUTANT OF THE B1 DOMAIN OF STREPTOCOCCAL PROTEIN
*TITLE    3 G (GB1)                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN G;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 373-427;                                      
*COMPND   5 SYNONYM: IGG-BINDING PROTEIN G;                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. GX7805;                       
*SOURCE   3 ORGANISM_TAXID: 1325;                                                
*SOURCE   4 GENE: SPG;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3);                            
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PJ414                                     
*KEYWDS    DYNAMICS, COMPUTATIONAL DESIGN, CONFORMATIONAL EXCHANGE,              
*KEYWDS   2 IMMUNOGLOBULIN-BINDING, DE NOVO PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.M.DAMRY,J.A.DAVEY,N.K.GOTO,R.A.CHICA                                
*REVDAT   1   23-AUG-17 5UCE    0                                                
# Restraints file 1: DANCER-2_Dihedrals.aco
   1   MET  PHI    -154.6   -51.7
   1   MET  PSI     114.7   179.7
   2   THR  PHI    -131.0   -51.6
   2   THR  PSI      93.3   171.3
   3   PHE  PHI    -146.8  -103.9
   3   PHE  PSI     131.0   171.0
   4   LYS  PHI    -150.6   -93.6
   4   LYS  PSI     107.1   161.3
   5   ALA  PHI    -141.2   -82.6
   5   ALA  PSI      88.0   152.3
   6   ILE  PHI    -141.9   -73.2
   6   ILE  PSI     106.7   146.7
   7   ILE  PHI    -147.6   -58.0
   7   ILE  PSI      85.3   148.2
   8   ASN  PHI    -150.9   -53.1
   8   ASN  PSI      74.9   158.4
  10   LYS  PHI     -96.4   -40.8
  10   LYS  PSI     -59.9    10.0
  11   THR  PHI    -140.1   -64.7
  11   THR  PSI     -52.3    27.3
  13   LYS  PHI    -164.2   -80.0
  13   LYS  PSI     125.8   173.6
  15   GLU  PHI    -177.8   -76.2
  15   GLU  PSI     114.9   172.9
  16   THR  PHI    -176.6   -88.2
  16   THR  PSI     114.7   209.8
  17   THR  PHI    -151.6  -107.4
  17   THR  PSI     134.7   174.7
  18   THR  PHI    -172.0   -70.9
  18   THR  PSI      81.9   180.8
  19   GLU  PHI    -135.4   -68.7
  19   GLU  PSI     101.8   146.2
  21   VAL  PHI    -125.9   -39.2
  21   VAL  PSI     -53.6    17.2
  23   ALA  PHI     -83.3   -34.0
  23   ALA  PSI     -69.0   -15.1
  24   ALA  PHI     -85.9   -45.9
  24   ALA  PSI     -57.3   -11.7
  25   THR  PHI     -89.1   -49.1
  25   THR  PSI     -61.6   -21.6
  26   ALA  PHI     -81.0   -41.0
  26   ALA  PSI     -63.6   -23.6
  27   GLU  PHI     -82.4   -42.4
  27   GLU  PSI     -66.1   -26.1
  28   LYS  PHI     -82.1   -42.1
  28   LYS  PSI     -59.7   -19.7
  29   VAL  PHI     -85.0   -45.0
  29   VAL  PSI     -63.7   -23.7
  30   PHE  PHI     -89.8   -49.8
  30   PHE  PSI     -57.8   -17.8
  31   LYS  PHI     -83.0   -43.0
  31   LYS  PSI     -58.5   -18.5
  32   GLN  PHI     -87.4   -47.4
  32   GLN  PSI     -58.3   -18.3
  33   TYR  PHI     -84.5   -44.5
  33   TYR  PSI     -63.7   -23.7
  34   PHE  PHI     -83.4   -43.4
  34   PHE  PSI     -60.2   -20.2
  35   ASN  PHI     -83.9   -43.9
  35   ASN  PSI     -61.0   -21.0
  36   ASP  PHI     -83.0   -43.0
  36   ASP  PSI     -47.3    -7.3
  37   ASN  PHI    -116.2   -69.8
  37   ASN  PSI     -20.8    19.2
  38   GLY  PHI      59.5    99.5
  38   GLY  PSI      -7.6    39.4
  39   LEU  PHI    -123.4   -66.3
  39   LEU  PSI     116.2   173.2
  42   GLU  PHI    -152.9   -28.0
  42   GLU  PSI      92.7   178.0
  43   TRP  PHI    -129.0   -46.6
  43   TRP  PSI     110.1   162.2
  44   THR  PHI    -162.9   -84.5
  44   THR  PSI     130.0   170.0
  45   TYR  PHI    -160.9   -84.1
  45   TYR  PSI      98.8   164.8
  46   ASP  PHI    -156.3   -72.2
  46   ASP  PSI      55.7   183.9
  47   ASP  PHI     -83.3   -43.3
  47   ASP  PSI     -50.7    -6.0
  48   ALA  PHI    -103.6   -46.6
  48   ALA  PSI     -64.1    -3.5
  49   THR  PHI    -142.1   -80.8
  49   THR  PSI     -19.3    21.9
  50   LYS  PHI      43.3    86.7
  50   LYS  PSI       3.5    63.1
  51   THR  PHI    -146.7   -59.3
  51   THR  PSI     109.0   149.0
  52   PHE  PHI    -150.4   -84.2
  52   PHE  PSI     104.6   145.9
  53   THR  PHI    -134.5   -94.5
  53   THR  PSI     101.3   141.3
  54   VAL  PHI    -134.5   -85.1
  54   VAL  PSI     102.6   146.4
  55   THR  PHI    -157.1   -68.6
  55   THR  PSI     101.1   141.1# Restraints file 2: DANCER-2_Distances.upl
  8 ASN  H      56 GLU  H       4.31            #peak     2 #SUP  0.75  #QF  0.75
  7 ILE  HA      8 ASN  H       3.00            #peak     4 #SUP  0.79  #QF  0.79
  8 ASN  H       8 ASN  HB3     3.92            #peak     6 #SUP  1.00
  8 ASN  H      54 VAL  HB      3.88            #peak     7 #SUP  0.83  #QF  0.83
  7 ILE  QG2     8 ASN  H       4.31            #peak     9 #SUP  1.00
  8 ASN  H      54 VAL  QG1     4.38            #peak    11 #SUP  0.99  #QF  0.99
  8 ASN  H       8 ASN  HB2     3.92            #peak    12 #SUP  0.98  #QF  0.98
  8 ASN  H      55 THR  HA      3.97            #peak    14 #SUP  0.90  #QF  0.90
 52 PHE  H      52 PHE  QD      4.03            #peak    20 #SUP  0.97  #QF  0.97
 51 THR  HA     52 PHE  H       3.24            #peak    21 #SUP  0.91  #QF  0.91
  5 ALA  HA     52 PHE  H       3.89            #peak    23 #SUP  0.80  #QF  0.80
 51 THR  QG2    52 PHE  H       3.89            #peak    24 #SUP  0.98  #QF  0.98
 55 THR  HA     56 GLU  H       3.09            #peak    27 #SUP  0.81  #QF  0.81
 56 GLU  H      56 GLU  HB2     3.82            #peak    29 #SUP  0.99  #QF  0.99
 56 GLU  H      56 GLU  HB3     3.82            #peak    30 #SUP  0.97  #QF  0.97
 55 THR  QG2    56 GLU  H       3.86            #peak    31 #SUP  0.97  #QF  0.97
 43 TRP  H      43 TRP  HD1     3.60            #peak    36 #SUP  0.77  #QF  0.77
 43 TRP  H      43 TRP  HB3     3.26            #peak    39 #SUP  0.69  #QF  0.69
 42 GLU  H      43 TRP  H       4.72            #peak    42 #SUP  1.00
  3 PHE  H      18 THR  H       3.70            #peak    43 #SUP  0.88  #QF  0.88
  3 PHE  H      17 THR  HB      5.24            #peak    50 #SUP  0.71  #QF  0.71
  2 THR  HB      3 PHE  H       4.57            #peak    51 #SUP  1.00
  3 PHE  H       3 PHE  HB2     4.16            #peak    52 #SUP  1.00
  3 PHE  H       3 PHE  HB3     4.16            #peak    53 #SUP  0.89  #QF  0.89
  2 THR  QG2     3 PHE  H       3.46            #peak    55 #SUP  0.93  #QF  0.93
  3 PHE  H      18 THR  QG2     4.37            #peak    56 #SUP  0.76  #QF  0.76
 19 GLU  HA     20 ALA  H       2.85            #peak    60 #SUP  0.80  #QF  0.80
 19 GLU  QG     20 ALA  H       4.30            #peak    64 #SUP  1.00
 19 GLU  QB     20 ALA  H       3.81            #peak    65 #SUP  0.99  #QF  0.99
 20 ALA  H      20 ALA  QB      3.69            #peak    66 #SUP  1.00
 18 THR  QG2    20 ALA  H       4.74            #peak    67 #SUP  0.88  #QF  0.88
  5 ALA  H      17 THR  QG2     4.63            #peak    69 #SUP  0.98  #QF  0.98
  4 LYS  HA      5 ALA  H       3.41            #peak    70 #SUP  0.95  #QF  0.95
  5 ALA  H      18 THR  H       4.38            #peak    71 #SUP  0.73  #QF  0.73
  5 ALA  H       5 ALA  QB      4.02            #peak    73 #SUP  1.00
  5 ALA  H      17 THR  HA      4.63            #peak    74 #SUP  0.97  #QF  0.97
  7 ILE  H      15 GLU  HA      3.65            #peak    78 #SUP  0.84  #QF  0.84
  6 ILE  HA      7 ILE  H       2.72            #peak    79 #SUP  0.87  #QF  0.87
  6 ILE  HB      7 ILE  H       4.32            #peak    80 #SUP  1.00
  6 ILE  HG13    7 ILE  H       3.72            #peak    82 #SUP  0.98  #QF  0.98
  6 ILE  QD1     7 ILE  H       3.41            #peak    83 #SUP  0.94  #QF  0.94
  6 ILE  HG12    7 ILE  H       4.25            #peak    84 #SUP  0.96  #QF  0.30
  6 ILE  H       7 ILE  H       4.59            #peak    85 #SUP  1.00
 53 THR  HA     54 VAL  H       3.23            #peak    90 #SUP  0.75  #QF  0.75
 53 THR  HB     54 VAL  H       4.61            #peak    93 #SUP  1.00
 54 VAL  H      54 VAL  QG2     4.26            #peak    99 #SUP  1.00
 46 ASP  H      52 PHE  HA      4.32            #peak   106 #SUP  0.86  #QF  0.86
 45 TYR  HA     46 ASP  H       3.01            #peak   107 #SUP  0.75  #QF  0.75
 46 ASP  H      46 ASP  HB2     3.34            #peak   110 #SUP  0.89  #QF  0.89
 46 ASP  H      46 ASP  HB3     3.96            #peak   111 #SUP  1.00
 46 ASP  H      53 THR  QG2     5.50            #peak   112 #SUP  0.36  #QF  0.36
 46 ASP  H      53 THR  H       5.03            #peak   113 #SUP  0.86  #QF  0.86
 45 TYR  H      46 ASP  H       4.71            #peak   114 #SUP  1.00
 11 THR  H      12 LEU  H       3.39            #peak   116 #SUP  0.74  #QF  0.74
 11 THR  HG1    12 LEU  H       4.47            #peak   124 #SUP  0.84  #QF  0.84
 12 LEU  H      12 LEU  QQD     4.53            #peak   125 #SUP  1.00
  3 PHE  H      19 GLU  H       5.38            #peak   131 #SUP  1.00  #QF  0.80
 19 GLU  H      20 ALA  H       5.50            #peak   131 #SUP  1.00  #QF  0.80
 19 GLU  H      19 GLU  QG      3.93            #peak   133 #SUP  0.98  #QF  0.98
 18 THR  HA     19 GLU  H       3.18            #peak   134 #SUP  0.75  #QF  0.75
 18 THR  HB     19 GLU  H       4.60            #peak   135 #SUP  1.00
 19 GLU  H      19 GLU  QB      3.29            #peak   137 #SUP  0.99  #QF  0.99
 18 THR  QG2    19 GLU  H       4.40            #peak   138 #SUP  1.00
 47 ASP  H      49 THR  H       4.51            #peak   141 #SUP  0.94  #QF  0.94
 46 ASP  H      47 ASP  H       4.53            #peak   143 #SUP  1.00
 46 ASP  HA     47 ASP  H       2.43            #peak   144 #SUP  0.62  #QF  0.62
 47 ASP  H      48 ALA  H       3.30            #peak   145 #SUP  0.95  #QF  0.95
 47 ASP  H      47 ASP  HB2     3.23            #peak   147 #SUP  0.76  #QF  0.76
 47 ASP  H      47 ASP  HB3     3.23            #peak   148 #SUP  0.94  #QF  0.94
 47 ASP  H      48 ALA  QB      4.58            #peak   150 #SUP  0.95  #QF  0.95
 46 ASP  HB3    47 ASP  H       3.84            #peak   153 #SUP  0.97  #QF  0.97
 50 LYS  H      51 THR  H       3.01            #peak   155 #SUP  0.97  #QF  0.97
 49 THR  H      50 LYS  H       2.66            #peak   156 #SUP  0.93  #QF  0.93
 48 ALA  H      50 LYS  H       3.73            #peak   158 #SUP  0.99  #QF  0.99
 47 ASP  HA     50 LYS  H       3.01            #peak   159 #SUP  0.45  #QF  0.45
 50 LYS  H      51 THR  HB      5.31            #peak   160 #SUP  1.00
 46 ASP  HB2    50 LYS  H       4.39            #peak   162 #SUP  0.91  #QF  0.91
 50 LYS  H      50 LYS  QG      3.34            #peak   164 #SUP  0.95  #QF  0.95
 25 THR  H      26 ALA  H       2.90            #peak   167 #SUP  0.85  #QF  0.85
 25 THR  HB     26 ALA  H       2.90            #peak   169 #SUP  0.68  #QF  0.68
 26 ALA  H      27 GLU  HB3     4.89            #peak   172 #SUP  0.88  #QF  0.88
 20 ALA  QB     26 ALA  H       3.03            #peak   173 #SUP  0.61  #QF  0.61
 26 ALA  H      26 ALA  QB      2.87            #peak   174 #SUP  0.98  #QF  0.98
 54 VAL  HA     55 THR  H       3.15            #peak   178 #SUP  0.70  #QF  0.70
 55 THR  H      55 THR  HB      3.89            #peak   179 #SUP  0.95  #QF  0.95
 54 VAL  QG1    55 THR  H       4.76            #peak   181 #SUP  1.00
 54 VAL  QG2    55 THR  H       4.70            #peak   182 #SUP  1.00
 40 ASP  H      41 GLY  H       4.20            #peak   184 #SUP  0.80  #QF  0.80
 39 LEU  HA     40 ASP  H       3.15            #peak   186 #SUP  0.75  #QF  0.75
 39 LEU  QB     40 ASP  H       4.38            #peak   188 #SUP  1.00
  6 ILE  H      52 PHE  H       4.95            #peak   191 #SUP  0.84  #QF  0.84
  5 ALA  HA      6 ILE  H       3.20            #peak   192 #SUP  0.79  #QF  0.79
  6 ILE  H      53 THR  HA      4.14            #peak   193 #SUP  0.47  #QF  0.47
  6 ILE  H       6 ILE  HB      3.63            #peak   195 #SUP  0.98  #QF  0.98
  6 ILE  H      51 THR  QG2     4.19            #peak   197 #SUP  0.93  #QF  0.93
  5 ALA  QB      6 ILE  H       4.18            #peak   198 #SUP  1.00
  3 PHE  H       4 LYS  H       4.55            #peak   200 #SUP  1.00
  4 LYS  H      52 PHE  H       4.67            #peak   201 #SUP  0.88  #QF  0.88
  4 LYS  H      52 PHE  QD      4.90            #peak   202 #SUP  0.67  #QF  0.67
  4 LYS  H      51 THR  HA      3.65            #peak   204 #SUP  0.80  #QF  0.80
  3 PHE  HA      4 LYS  H       2.79            #peak   205 #SUP  0.81  #QF  0.81
  3 PHE  HB2     4 LYS  H       4.38            #peak   206 #SUP  0.97  #QF  0.97
  3 PHE  HB3     4 LYS  H       4.38            #peak   207 #SUP  1.00
  4 LYS  H      51 THR  QG2     4.82            #peak   210 #SUP  0.92  #QF  0.92
 30 PHE  QB     31 LYS  H       4.53            #peak   216 #SUP  1.00
 10 LYS  H      10 LYS  QB      3.42            #peak   225 #SUP  1.00
 10 LYS  H      10 LYS  QG      4.12            #peak   226 #SUP  0.97  #QF  0.97
 32 GLN  HA     34 PHE  H       4.79            #peak   232 #SUP  0.75  #QF  0.75
 33 TYR  QB     34 PHE  H       3.78            #peak   233 #SUP  0.93  #QF  0.93
 52 PHE  HA     53 THR  H       3.12            #peak   236 #SUP  0.81  #QF  0.81
 53 THR  H      53 THR  HB      3.48            #peak   239 #SUP  0.64  #QF  0.64
 53 THR  H      53 THR  QG2     4.18            #peak   241 #SUP  1.00
 43 TRP  HE3    44 THR  H       4.72            #peak   243 #SUP  0.80  #QF  0.80
 43 TRP  HA     44 THR  H       3.12            #peak   245 #SUP  0.83  #QF  0.83
 44 THR  H      44 THR  HB      3.98            #peak   247 #SUP  1.00
 43 TRP  HB2    44 THR  H       3.75            #peak   249 #SUP  0.91  #QF  0.91
 44 THR  H      44 THR  QG2     3.98            #peak   250 #SUP  0.99  #QF  0.99
 17 THR  H      18 THR  H       5.17            #peak   254 #SUP  1.00
 18 THR  H      19 GLU  H       5.50            #peak   254 #SUP  1.00
 17 THR  HA     18 THR  H       3.39            #peak   256 #SUP  0.96  #QF  0.96
  3 PHE  HA     18 THR  H       5.30            #peak   257 #SUP  0.92  #QF  0.92
 17 THR  HB     18 THR  H       3.39            #peak   259 #SUP  0.86  #QF  0.86
  2 THR  QG2    18 THR  H       4.22            #peak   261 #SUP  0.99  #QF  0.24
 17 THR  QG2    18 THR  H       4.43            #peak   261 #SUP  0.99  #QF  0.24
 18 THR  H      18 THR  QG2     4.07            #peak   262 #SUP  1.00
 15 GLU  HA     16 THR  H       3.20            #peak   265 #SUP  0.76  #QF  0.76
 25 THR  H      25 THR  HB      3.12            #peak   273 #SUP  0.73  #QF  0.73
 22 ASP  QB     25 THR  H       3.99            #peak   275 #SUP  0.56  #QF  0.56
 24 ALA  QB     25 THR  H       2.82            #peak   277 #SUP  0.61  #QF  0.61
 25 THR  H      26 ALA  QB      4.73            #peak   278 #SUP  0.94  #QF  0.94
 26 ALA  H      27 GLU  H       3.05            #peak   282 #SUP  0.77  #QF  0.77
 27 GLU  H      28 LYS  H       3.26            #peak   283 #SUP  0.95  #QF  0.95
 27 GLU  H      30 PHE  QD      5.49            #peak   284 #SUP  0.86  #QF  0.86
 24 ALA  HA     27 GLU  H       3.57            #peak   285 #SUP  0.78  #QF  0.78
 25 THR  HA     27 GLU  H       4.27            #peak   286 #SUP  0.86  #QF  0.86
 27 GLU  H      27 GLU  HB3     2.88            #peak   289 #SUP  0.78  #QF  0.78
 27 GLU  H      27 GLU  QG      4.10            #peak   290 #SUP  0.99  #QF  0.99
 26 ALA  QB     27 GLU  H       3.24            #peak   292 #SUP  0.89  #QF  0.89
  2 THR  H      20 ALA  H       5.35            #peak   294 #SUP  0.40  #QF  0.40
  1 MET  HA      2 THR  H       2.44            #peak   296 #SUP  0.56  #QF  0.56
  2 THR  H       2 THR  HB      2.77            #peak   297 #SUP  0.68  #QF  0.68
  1 MET  QG      2 THR  H       4.29            #peak   298 #SUP  1.00
  1 MET  QB      2 THR  H       3.04            #peak   299 #SUP  0.82  #QF  0.82
  2 THR  H       2 THR  QG2     3.97            #peak   300 #SUP  1.00
 29 VAL  H      31 LYS  H       4.78            #peak   302 #SUP  0.85  #QF  0.85
 29 VAL  H      30 PHE  H       3.42            #peak   303 #SUP  0.94  #QF  0.94
 29 VAL  H      30 PHE  QD      4.66            #peak   307 #SUP  0.77  #QF  0.77
 25 THR  HB     29 VAL  H       5.50            #peak   308 #SUP  0.94  #QF  0.94
 26 ALA  HA     29 VAL  H       4.12            #peak   310 #SUP  0.80  #QF  0.80
 29 VAL  H      29 VAL  HB      2.88            #peak   312 #SUP  0.85  #QF  0.85
 25 THR  QG2    29 VAL  H       4.55            #peak   313 #SUP  0.54  #QF  0.54
 31 LYS  H      32 GLN  H       4.02            #peak   315 #SUP  0.81  #QF  0.81
 32 GLN  H      33 TYR  H       3.73            #peak   316 #SUP  0.96  #QF  0.96
 29 VAL  HA     32 GLN  H       4.41            #peak   319 #SUP  0.65  #QF  0.65
 32 GLN  H      32 GLN  QB      3.25            #peak   320 #SUP  0.98  #QF  0.98
 20 ALA  HA     21 VAL  H       2.72            #peak   324 #SUP  0.77  #QF  0.77
 21 VAL  H      21 VAL  HB      3.16            #peak   327 #SUP  0.94  #QF  0.94
 20 ALA  QB     21 VAL  H       3.00            #peak   329 #SUP  0.94  #QF  0.94
 21 VAL  H      21 VAL  QQG     2.64            #peak   330 #SUP  0.88  #QF  0.88
 36 ASP  QB     37 ASN  H       3.92            #peak   341 #SUP  0.97  #QF  0.97
 37 ASN  H      39 LEU  H       3.88            #peak   344 #SUP  0.39  #QF  0.39
 28 LYS  H      29 VAL  H       3.28            #peak   347 #SUP  0.98  #QF  0.98
 24 ALA  HA     28 LYS  H       4.21            #peak   349 #SUP  0.92  #QF  0.92
 26 ALA  HA     28 LYS  H       4.75            #peak   351 #SUP  0.94  #QF  0.94
 27 GLU  HB3    28 LYS  H       2.90            #peak   353 #SUP  0.86  #QF  0.34
 28 LYS  H      28 LYS  QB      3.03            #peak   353 #SUP  0.86  #QF  0.34
 24 ALA  QB     28 LYS  H       4.78            #peak   355 #SUP  0.96  #QF  0.96
 21 VAL  H      22 ASP  H       3.15            #peak   369 #SUP  0.98  #QF  0.98
 22 ASP  H      25 THR  HB      3.02            #peak   372 #SUP  0.57  #QF  0.57
 22 ASP  H      25 THR  HA      5.23            #peak   373 #SUP  0.99  #QF  0.99
 22 ASP  H      22 ASP  QB      3.51            #peak   374 #SUP  1.00
 21 VAL  HB     22 ASP  H       4.16            #peak   375 #SUP  0.95  #QF  0.95
 20 ALA  QB     22 ASP  H       3.32            #peak   376 #SUP  0.69  #QF  0.69
 21 VAL  QQG    22 ASP  H       3.36            #peak   377 #SUP  1.00
 16 THR  HB     17 THR  H       4.71            #peak   384 #SUP  1.00
 16 THR  QG2    17 THR  H       4.39            #peak   386 #SUP  1.00
 46 ASP  H      51 THR  H       4.07            #peak   396 #SUP  0.88  #QF  0.88
 50 LYS  HA     51 THR  H       3.22            #peak   398 #SUP  0.87  #QF  0.87
 51 THR  H      51 THR  HB      3.01            #peak   399 #SUP  0.61  #QF  0.61
 46 ASP  HB2    51 THR  H       3.78            #peak   400 #SUP  0.93  #QF  0.93
 46 ASP  HB3    51 THR  H       4.38            #peak   401 #SUP  0.96  #QF  0.96
 51 THR  H      51 THR  QG2     4.01            #peak   403 #SUP  1.00
  8 ASN  H       9 GLY  H       4.62            #peak   424 #SUP  1.00
  8 ASN  HA      9 GLY  H       3.38            #peak   427 #SUP  0.90  #QF  0.90
 38 GLY  H      39 LEU  H       3.19            #peak   434 #SUP  0.42  #QF  0.42
 37 ASN  H      38 GLY  H       3.89            #peak   435 #SUP  0.85  #QF  0.85
 13 LYS  QG     14 GLY  H       3.38            #peak   445 #SUP  0.50  #QF  0.50
 49 THR  H      51 THR  H       4.01            #peak   461 #SUP  0.81  #QF  0.81
 49 THR  H      49 THR  HB      3.90            #peak   464 #SUP  1.00
 46 ASP  HB2    49 THR  H       4.41            #peak   466 #SUP  0.84  #QF  0.84
 48 ALA  QB     49 THR  H       3.32            #peak   467 #SUP  0.98  #QF  0.98
 49 THR  H      49 THR  QG2     3.22            #peak   469 #SUP  0.91  #QF  0.91
 33 TYR  H      33 TYR  QD      4.46            #peak   478 #SUP  0.97  #QF  0.97
 33 TYR  H      34 PHE  H       4.06            #peak   479 #SUP  0.96  #QF  0.96
 30 PHE  H      33 TYR  H       5.04            #peak   480 #SUP  0.96  #QF  0.96
 30 PHE  HA     33 TYR  H       4.46            #peak   481 #SUP  0.82  #QF  0.82
 31 LYS  HA     33 TYR  H       4.49            #peak   483 #SUP  0.84  #QF  0.84
 33 TYR  H      33 TYR  QB      3.45            #peak   485 #SUP  1.00
 32 GLN  QB     33 TYR  H       3.88            #peak   486 #SUP  0.95  #QF  0.95
 12 LEU  HA     13 LYS  H       3.25            #peak   490 #SUP  0.80  #QF  0.80
 13 LYS  H      13 LYS  QG      5.44            #peak   492 #SUP  1.00
 12 LEU  QQD    13 LYS  H       4.52            #peak   493 #SUP  1.00
 24 ALA  H      24 ALA  QB      2.47            #peak   495 #SUP  0.68  #QF  0.68
 48 ALA  H      49 THR  H       2.71            #peak   501 #SUP  0.92  #QF  0.92
 46 ASP  HA     48 ALA  H       3.68            #peak   502 #SUP  0.80  #QF  0.80
 48 ALA  H      48 ALA  HA      2.88            #peak   503 #SUP  0.99  #QF  0.99
 47 ASP  HB2    48 ALA  H       3.66            #peak   504 #SUP  0.97  #QF  0.97
 47 ASP  HB3    48 ALA  H       3.66            #peak   505 #SUP  0.85  #QF  0.85
 46 ASP  HB3    48 ALA  H       4.33            #peak   506 #SUP  0.89  #QF  0.89
 48 ALA  H      48 ALA  QB      2.40            #peak   507 #SUP  0.87  #QF  0.87
 48 ALA  H      49 THR  QG2     4.32            #peak   508 #SUP  0.98  #QF  0.98
 30 PHE  H      31 LYS  H       4.37            #peak   511 #SUP  0.95  #QF  0.95
 30 PHE  H      30 PHE  QD      4.66            #peak   512 #SUP  1.00
 30 PHE  H      30 PHE  QB      3.99            #peak   515 #SUP  1.00
 29 VAL  HB     30 PHE  H       3.72            #peak   516 #SUP  0.71  #QF  0.71
 15 GLU  H      16 THR  HA      4.87            #peak   521 #SUP  0.49  #QF  0.49
 15 GLU  H      15 GLU  QB      4.00            #peak   523 #SUP  1.00
 34 PHE  H      35 ASN  H       4.25            #peak   526 #SUP  0.89  #QF  0.89
 35 ASN  H      37 ASN  H       4.80            #peak   527 #SUP  0.81  #QF  0.81
 31 LYS  HA     35 ASN  H       4.79            #peak   529 #SUP  0.71  #QF  0.28
 32 GLN  HA     35 ASN  H       4.99            #peak   529 #SUP  0.71  #QF  0.28
 33 TYR  QB     35 ASN  H       4.55            #peak   530 #SUP  0.57  #QF  0.57
 35 ASN  H      35 ASN  QB      3.42            #peak   531 #SUP  1.00
 22 ASP  HA     23 ALA  H       2.80            #peak   536 #SUP  0.81  #QF  0.81
 23 ALA  H      24 ALA  HA      5.50            #peak   537 #SUP  1.00
 22 ASP  QB     23 ALA  H       2.69            #peak   538 #SUP  0.80  #QF  0.80
 23 ALA  H      23 ALA  QB      2.73            #peak   539 #SUP  0.90  #QF  0.90
 45 TYR  H      52 PHE  HA      5.50            #peak   543 #SUP  0.97  #QF  0.97
 44 THR  HA     45 TYR  H       3.19            #peak   544 #SUP  0.91  #QF  0.91
 44 THR  HB     45 TYR  H       3.23            #peak   546 #SUP  0.86  #QF  0.86
 45 TYR  H      45 TYR  HB2     3.76            #peak   547 #SUP  1.00
 45 TYR  H      45 TYR  HB3     3.76            #peak   548 #SUP  0.77  #QF  0.77
 44 THR  QG2    45 TYR  H       3.73            #peak   549 #SUP  0.99  #QF  0.99
 36 ASP  H      37 ASN  H       4.26            #peak   552 #SUP  0.98  #QF  0.98
 36 ASP  H      36 ASP  QB      3.75            #peak   554 #SUP  1.00
 35 ASN  QB     36 ASP  H       3.81            #peak   555 #SUP  1.00
  1 MET  H      20 ALA  H       3.49            #peak   557 #SUP  0.94  #QF  0.94
  1 MET  H      19 GLU  HA      4.88            #peak   561 #SUP  0.88  #QF  0.88
  1 MET  H       1 MET  QG      4.09            #peak   563 #SUP  0.79  #QF  0.79
  1 MET  H       1 MET  QB      3.34            #peak   564 #SUP  1.00
 42 GLU  H      54 VAL  QG1     4.76            #peak   571 #SUP  0.60  #QF  0.60
 42 GLU  H      54 VAL  QG2     5.50            #peak   572 #SUP  0.92  #QF  0.92
 39 LEU  H      39 LEU  QB      2.47            #peak   578 #SUP  0.43  #QF  0.43
 23 ALA  H      24 ALA  H       3.12            #peak   581 #SUP  0.96  #QF  0.96
 24 ALA  H      26 ALA  H       4.48            #peak   582 #SUP  0.73  #QF  0.73
 22 ASP  HA     24 ALA  H       4.51            #peak   584 #SUP  0.99  #QF  0.99
 22 ASP  QB     24 ALA  H       3.06            #peak   587 #SUP  0.71  #QF  0.71
 24 ALA  H      27 GLU  HB3     5.48            #peak   588 #SUP  1.00
  7 ILE  H      54 VAL  QG1     5.50            #peak   592 #SUP  0.82  #QF  0.82
  8 ASN  H      55 THR  H       5.12            #peak   593 #SUP  1.00
  8 ASN  H      54 VAL  H       4.31            #peak   594 #SUP  0.97  #QF  0.97
 18 THR  QG2    30 PHE  QE      4.20            #peak    24 #SUP  0.24  #QF  0.24
 30 PHE  QE     52 PHE  QD      3.87            #peak    25 #SUP  0.55  #QF  0.55
 43 TRP  HA     43 TRP  HD1     4.38            #peak    48 #SUP  0.99  #QF  0.99
 27 GLU  HB2    43 TRP  HH2     4.34            #peak    66 #SUP  0.31  #QF  0.31
  2 THR  HA      2 THR  QG2     3.07            #peak    27 #SUP  0.95  #QF  0.95
  4 LYS  HA     17 THR  QG2     3.90            #peak    28 #SUP  0.99  #QF  0.99
 25 THR  HA     25 THR  QG2     3.37            #peak    30 #SUP  1.00
  2 THR  QG2     3 PHE  HA      4.55            #peak    36 #SUP  0.67  #QF  0.67
  4 LYS  HA     17 THR  HB      4.74            #peak    46 #SUP  0.99  #QF  0.99
 25 THR  HA     28 LYS  QD      5.20            #peak    61 #SUP  1.00  #QF  0.41
  4 LYS  QD     51 THR  QG2     4.35            #peak    62 #SUP  0.68  #QF  0.68
  4 LYS  QE     17 THR  QG2     4.77            #peak    68 #SUP  0.83  #QF  0.83
  5 ALA  HA     52 PHE  HB3     4.60            #peak    70 #SUP  0.94  #QF  0.94
  5 ALA  HA     51 THR  QG2     4.63            #peak    71 #SUP  0.83  #QF  0.83
  5 ALA  QB     30 PHE  QE      4.56            #peak    78 #SUP  0.30  #QF  0.30
  6 ILE  HA      6 ILE  HG12    4.08            #peak    84 #SUP  1.00
  6 ILE  HA      6 ILE  QD1     3.36            #peak    86 #SUP  1.00
  6 ILE  HA      7 ILE  QG2     4.58            #peak    87 #SUP  0.53  #QF  0.53
 54 VAL  HA     54 VAL  QG1     3.79            #peak    88 #SUP  1.00
 54 VAL  HA     54 VAL  QG2     3.70            #peak    91 #SUP  1.00
 33 TYR  HA     33 TYR  QD      4.04            #peak    96 #SUP  1.00
 39 LEU  QB     40 ASP  HA      4.47            #peak    99 #SUP  0.71  #QF  0.71
  7 ILE  HA     54 VAL  QG1     4.14            #peak   109 #SUP  0.99  #QF  0.99
  6 ILE  HB      6 ILE  QD1     4.21            #peak   114 #SUP  1.00
  6 ILE  QG2     6 ILE  HG12    3.83            #peak   117 #SUP  1.00
  6 ILE  QG2     6 ILE  HG13    4.10            #peak   123 #SUP  1.00
  6 ILE  HG13   15 GLU  HA      4.83            #peak   127 #SUP  1.00
  6 ILE  HA      6 ILE  QG2     3.28            #peak   132 #SUP  1.00
  7 ILE  HB      8 ASN  HA      4.94            #peak   159 #SUP  0.79  #QF  0.73
  8 ASN  HA     13 LYS  QG      5.50            #peak   159 #SUP  0.79  #QF  0.73
  8 ASN  HB2    55 THR  HA      4.38            #peak   162 #SUP  0.91  #QF  0.91
  8 ASN  HB3    55 THR  HA      4.38            #peak   166 #SUP  0.96  #QF  0.96
 10 LYS  HA     10 LYS  QE      4.60            #peak   174 #SUP  0.79  #QF  0.79
 10 LYS  HA     10 LYS  QB      3.00            #peak   175 #SUP  1.00
 10 LYS  HA     10 LYS  QG      3.48            #peak   176 #SUP  1.00
 28 LYS  QB     28 LYS  QD      3.33            #peak   178 #SUP  1.00
 28 LYS  QB     28 LYS  QE      4.18            #peak   184 #SUP  1.00
 10 LYS  QG     10 LYS  QE      3.86            #peak   189 #SUP  1.00
 11 THR  HA     11 THR  HG1     3.60            #peak   195 #SUP  0.80  #QF  0.80
 12 LEU  HA     12 LEU  QQD     3.74            #peak   213 #SUP  1.00
 13 LYS  HA     13 LYS  QG      3.58            #peak   222 #SUP  1.00
  2 THR  HA     19 GLU  HA      3.31            #peak   248 #SUP  0.46  #QF  0.46
  6 ILE  HA     15 GLU  HA      3.40            #peak   249 #SUP  0.96  #QF  0.96
 19 GLU  HA     19 GLU  QG      3.44            #peak   250 #SUP  1.00
  2 THR  QG2    19 GLU  HA      4.53            #peak   252 #SUP  0.80  #QF  0.80
  6 ILE  QD1    15 GLU  HA      4.35            #peak   253 #SUP  0.99  #QF  0.99
 18 THR  QG2    19 GLU  HA      4.88            #peak   254 #SUP  0.87  #QF  0.87
  6 ILE  HG12   15 GLU  HA      5.50            #peak   255 #SUP  1.00
  6 ILE  QD1    15 GLU  QB      4.96            #peak   258 #SUP  0.93  #QF  0.93
  2 THR  HA     19 GLU  QG      4.68            #peak   262 #SUP  0.86  #QF  0.86
 16 THR  HA     16 THR  QG2     3.55            #peak   268 #SUP  0.97  #QF  0.45
 44 THR  HA     44 THR  QG2     3.66            #peak   268 #SUP  0.97  #QF  0.45
 49 THR  HA     49 THR  QG2     3.02            #peak   269 #SUP  1.00  #QF  0.52
  4 LYS  HA     17 THR  HA      3.54            #peak   274 #SUP  0.86  #QF  0.86
 17 THR  HA     17 THR  QG2     3.31            #peak   277 #SUP  1.00
 18 THR  HA     18 THR  QG2     4.09            #peak   284 #SUP  1.00
 18 THR  QG2    20 ALA  QB      3.89            #peak   296 #SUP  0.52  #QF  0.52
 20 ALA  QB     25 THR  HB      3.78            #peak   310 #SUP  0.85  #QF  0.85
 21 VAL  HA     21 VAL  QQG     2.93            #peak   317 #SUP  1.00
 22 ASP  HA     22 ASP  QB      2.83            #peak   329 #SUP  1.00
 23 ALA  HA     43 TRP  HZ2     5.08            #peak   331 #SUP  0.87  #QF  0.87
 20 ALA  QB     26 ALA  HA      3.94            #peak   336 #SUP  1.00
 26 ALA  HA     29 VAL  HB      3.99            #peak   337 #SUP  0.80  #QF  0.80
 23 ALA  QB     43 TRP  HH2     3.91            #peak   341 #SUP  0.72  #QF  0.72
 23 ALA  QB     43 TRP  HZ2     4.20            #peak   342 #SUP  0.83  #QF  0.83
 24 ALA  HA     27 GLU  HB3     4.02            #peak   345 #SUP  0.95  #QF  0.95
 48 ALA  QB     49 THR  QG2     3.56            #peak   350 #SUP  0.80  #QF  0.80
 29 VAL  HA     32 GLN  QB      3.99            #peak   353 #SUP  0.81  #QF  0.81
 25 THR  HA     28 LYS  QB      4.04            #peak   358 #SUP  0.38  #QF  0.38
 21 VAL  QQG    25 THR  HB      4.32            #peak   365 #SUP  0.93  #QF  0.93
 26 ALA  QB     52 PHE  QE      3.98            #peak   367 #SUP  0.25  #QF  0.25
 20 ALA  QB     26 ALA  QB      3.72            #peak   369 #SUP  0.82  #QF  0.82
 27 GLU  HA     30 PHE  QD      4.51            #peak   371 #SUP  0.48  #QF  0.48
 27 GLU  HA     43 TRP  HZ2     4.68            #peak   372 #SUP  0.43  #QF  0.43
 27 GLU  HA     27 GLU  QG      3.64            #peak   375 #SUP  1.00
 24 ALA  QB     27 GLU  HB2     5.12            #peak   380 #SUP  0.95  #QF  0.95
 24 ALA  QB     27 GLU  HB3     4.30            #peak   386 #SUP  0.84  #QF  0.84
 28 LYS  HA     28 LYS  QD      3.54            #peak   394 #SUP  0.88  #QF  0.88
 29 VAL  HA     29 VAL  QG2     3.95            #peak   407 #SUP  1.00
 29 VAL  HA     29 VAL  QG1     3.95            #peak   411 #SUP  1.00
 30 PHE  HA     33 TYR  QB      4.11            #peak   414 #SUP  0.85  #QF  0.85
 30 PHE  HA     30 PHE  QD      3.67            #peak   417 #SUP  0.96  #QF  0.96
 28 LYS  HA     31 LYS  HB3     4.99            #peak   424 #SUP  0.75  #QF  0.75
 28 LYS  HA     31 LYS  HB2     4.99            #peak   427 #SUP  0.93  #QF  0.93
 32 GLN  HA     32 GLN  QG      3.89            #peak   439 #SUP  1.00
 34 PHE  QB     37 ASN  H       4.70            #peak   459 #SUP  0.55  #QF  0.55
 32 GLN  HA     35 ASN  QB      4.40            #peak   462 #SUP  0.36  #QF  0.36
 50 LYS  HA     50 LYS  QG      3.71            #peak   502 #SUP  1.00
 43 TRP  HA     43 TRP  HE3     5.34            #peak   503 #SUP  1.00
 43 TRP  HA     54 VAL  HA      3.55            #peak   506 #SUP  0.96  #QF  0.96
 43 TRP  HA     54 VAL  QG2     4.59            #peak   508 #SUP  0.87  #QF  0.87
 45 TYR  HA     52 PHE  HA      3.52            #peak   517 #SUP  0.95  #QF  0.95
 46 ASP  HB2    51 THR  HB      4.79            #peak   534 #SUP  0.86  #QF  0.86
 47 ASP  HA     50 LYS  QG      4.34            #peak   539 #SUP  0.62  #QF  0.62
 48 ALA  QB     49 THR  HA      4.73            #peak   542 #SUP  1.00
 48 ALA  QB     49 THR  HB      5.34            #peak   542 #SUP  1.00
 49 THR  HB     51 THR  HB      4.67            #peak   544 #SUP  0.65  #QF  0.65
 49 THR  QG2    51 THR  HB      4.70            #peak   546 #SUP  0.63  #QF  0.63
 50 LYS  HA     50 LYS  HE2     5.50            #peak   549 #SUP  0.98  #QF  0.79
 50 LYS  HA     50 LYS  HE3     5.50            #peak   549 #SUP  0.98  #QF  0.79
 51 THR  HA     52 PHE  QD      4.99            #peak   557 #SUP  0.85  #QF  0.85
 51 THR  HA     51 THR  QG2     3.43            #peak   561 #SUP  1.00
  6 ILE  HB     51 THR  QG2     3.49            #peak   566 #SUP  0.58  #QF  0.58
  6 ILE  HG12   51 THR  QG2     4.53            #peak   567 #SUP  0.89  #QF  0.89
 51 THR  QG2    52 PHE  HA      5.16            #peak   569 #SUP  0.96  #QF  0.89
 52 PHE  HA     53 THR  QG2     5.50            #peak   569 #SUP  0.96  #QF  0.89
 52 PHE  HA     52 PHE  QD      4.35            #peak   572 #SUP  1.00
  6 ILE  HB     53 THR  HA      4.57            #peak   575 #SUP  0.89  #QF  0.89
 53 THR  HA     53 THR  QG2     3.44            #peak   576 #SUP  1.00
 43 TRP  HE3    54 VAL  QG2     5.11            #peak   593 #SUP  0.57  #QF  0.57
 55 THR  HA     55 THR  QG2     3.62            #peak   600 #SUP  1.00
  5 ALA  HA     52 PHE  HB2     4.60            #peak   631 #SUP  0.98  #QF  0.98
  3 PHE  H       3 PHE  QB      3.43            #peak    53
  3 PHE  HA      4 LYS  QB      4.54            #peak    35
  3 PHE  QB      4 LYS  H       3.61            #peak   206
  3 PHE  QB     18 THR  QG2     4.38            #peak    40
  4 LYS  H       4 LYS  QB      3.15            #peak   208
  4 LYS  QB      4 LYS  QE      4.32            #peak    66
  4 LYS  QB     17 THR  HA      4.88            #peak   276
  4 LYS  QB     17 THR  QG2     3.73            #peak    31
  4 LYS  QB     51 THR  HA      4.09            #peak   559
  4 LYS  QG      5 ALA  H       4.23            #peak    72
  4 LYS  QG     51 THR  HA      4.87            #peak   560
  5 ALA  HA     52 PHE  QB      3.73            #peak    70
  5 ALA  QB     52 PHE  QB      4.23            #peak    75
  7 ILE  HA      7 ILE  QG1     3.49            #peak   106
  7 ILE  QG1    15 GLU  H       5.32            #peak   524
  7 ILE  QG1    16 THR  H       5.17            #peak   268
  8 ASN  H       8 ASN  QB      3.41            #peak    12
  8 ASN  QB     55 THR  HA      3.80            #peak   162
  8 ASN  QB     55 THR  QG2     4.03            #peak   366
  9 GLY  QA     56 GLU  H       4.57            #peak    34
  9 GLY  QA     56 GLU  QB      4.43            #peak   612
 12 LEU  H      12 LEU  QB      3.51            #peak   123
 13 LYS  H      13 LYS  QD      3.87            #peak   491
 13 LYS  HA     13 LYS  QD      4.63            #peak   231
 14 GLY  QA     15 GLU  H       2.87            #peak   522
 28 LYS  H      28 LYS  QG      3.34            #peak   354
 28 LYS  H      29 VAL  QQG     4.40            #peak   356
 28 LYS  HA     28 LYS  QG      3.63            #peak   395
 28 LYS  HA     31 LYS  QB      4.14            #peak   424
 28 LYS  QB     31 LYS  QG      4.63            #peak   396
 28 LYS  QG     28 LYS  QE      3.60            #peak   186
 29 VAL  H      29 VAL  QQG     2.97            #peak   314
 29 VAL  HA     29 VAL  QQG     3.08            #peak   411
 29 VAL  QQG    33 TYR  QE      3.71            #peak    50
 30 PHE  H      31 LYS  QG      4.16            #peak   517
 30 PHE  QE     52 PHE  QB      4.11            #peak    23
 31 LYS  H      31 LYS  QB      3.47            #peak   217
 31 LYS  QB     32 GLN  H       4.20            #peak   321
 31 LYS  QG     33 TYR  H       4.82            #peak   487
 37 ASN  H      37 ASN  QD2     4.68            #peak   339
 41 GLY  QA     42 GLU  H       3.08            #peak   568
 42 GLU  H      42 GLU  QG      3.71            #peak   569
 42 GLU  QG     43 TRP  H       4.75            #peak    41
 45 TYR  H      45 TYR  QB      3.18            #peak   548
 45 TYR  QB     46 ASP  H       4.34            #peak   109
 47 ASP  H      47 ASP  QB      2.65            #peak   147
 47 ASP  QB     48 ALA  H       3.02            #peak   505
 50 LYS  H      50 LYS  QD      3.56            #peak   163
 50 LYS  H      50 LYS  QE      5.14            #peak   161
 50 LYS  HA     50 LYS  QD      3.77            #peak   501
 52 PHE  H      52 PHE  QB      3.61            #peak    22
 52 PHE  QB     53 THR  H       3.94            #peak   240
 56 GLU  H      56 GLU  QG      4.47            #peak    32
 56 GLU  HA     56 GLU  QG      3.44            #peak   607
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1 -12.012 -10.778   4.246
    2    HA   MET   1           HA       MET   1 -13.210 -10.171   1.643
    3    HB2  MET   1          2HB       MET   1 -14.780 -10.026   4.218
    4    HB3  MET   1          3HB       MET   1 -15.378  -9.740   2.589
    5    HG2  MET   1          2HG       MET   1 -15.089 -12.061   2.024
    6    HG3  MET   1          3HG       MET   1 -14.341 -12.381   3.587
    7    HE1  MET   1          1HE       MET   1 -18.175 -11.514   2.009
    8    HE2  MET   1          2HE       MET   1 -17.001 -12.722   1.487
    9    HE3  MET   1          3HE       MET   1 -18.382 -13.202   2.474
   10    H    THR   2           H        THR   2 -12.870  -8.123   1.089
   11    HA   THR   2           HA       THR   2 -11.429  -6.321   2.658
   12    HB   THR   2           HB       THR   2 -13.269  -5.485   0.419
   13    HG1  THR   2           HG1      THR   2 -12.062  -6.603  -0.901
   14   HG21  THR   2          1HG2      THR   2 -11.005  -4.081   0.091
   15   HG22  THR   2          2HG2      THR   2 -10.946  -4.319   1.837
   16   HG23  THR   2          3HG2      THR   2 -12.340  -3.528   1.102
   17    H    PHE   3           H        PHE   3 -12.001  -4.445   3.771
   18    HA   PHE   3           HA       PHE   3 -14.825  -3.894   4.223
   19    HB2  PHE   3          2HB       PHE   3 -12.909  -4.794   6.365
   20    HB3  PHE   3          3HB       PHE   3 -14.323  -3.815   6.747
   21    HD1  PHE   3           HD1      PHE   3 -13.126  -7.056   6.606
   22    HD2  PHE   3           HD2      PHE   3 -16.564  -4.757   5.597
   23    HE1  PHE   3           HE1      PHE   3 -14.505  -9.091   6.684
   24    HE2  PHE   3           HE2      PHE   3 -17.949  -6.789   5.675
   25    HZ   PHE   3           HZ       PHE   3 -16.920  -8.960   6.219
   26    H    LYS   4           H        LYS   4 -15.039  -1.938   5.741
   27    HA   LYS   4           HA       LYS   4 -12.775  -0.102   5.533
   28    HB2  LYS   4          2HB       LYS   4 -13.856   0.543   3.568
   29    HB3  LYS   4          3HB       LYS   4 -15.457   0.268   4.242
   30    HG2  LYS   4          2HG       LYS   4 -15.506   2.291   5.315
   31    HG3  LYS   4          3HG       LYS   4 -13.747   2.400   5.421
   32    HD2  LYS   4          2HD       LYS   4 -13.840   2.573   2.842
   33    HD3  LYS   4          3HD       LYS   4 -15.542   2.971   3.089
   34    HE2  LYS   4          2HE       LYS   4 -15.030   4.921   4.278
   35    HE3  LYS   4          3HE       LYS   4 -13.368   4.411   4.574
   36    HZ1  LYS   4          1HZ       LYS   4 -13.633   4.498   1.839
   37    HZ2  LYS   4          2HZ       LYS   4 -12.814   5.612   2.812
   38    HZ3  LYS   4          3HZ       LYS   4 -14.429   5.886   2.390
   39    H    ALA   5           H        ALA   5 -12.460   0.350   7.622
   40    HA   ALA   5           HA       ALA   5 -14.761   0.761   9.379
   41    HB1  ALA   5          1HB       ALA   5 -12.777  -0.726   9.984
   42    HB2  ALA   5          2HB       ALA   5 -11.882   0.774  10.232
   43    HB3  ALA   5          3HB       ALA   5 -13.319   0.434  11.197
   44    H    ILE   6           H        ILE   6 -15.320   2.695  10.205
   45    HA   ILE   6           HA       ILE   6 -13.650   5.008   9.468
   46    HB   ILE   6           HB       ILE   6 -16.637   4.781   9.795
   47   HG12  ILE   6          2HG1      ILE   6 -16.433   5.924   7.473
   48   HG13  ILE   6          3HG1      ILE   6 -14.757   5.388   7.527
   49   HG21  ILE   6          1HG2      ILE   6 -16.613   7.261   9.255
   50   HG22  ILE   6          2HG2      ILE   6 -16.131   6.805  10.888
   51   HG23  ILE   6          3HG2      ILE   6 -14.905   7.235   9.696
   52   HD11  ILE   6          1HD1      ILE   6 -16.855   3.374   8.078
   53   HD12  ILE   6          2HD1      ILE   6 -16.671   3.943   6.419
   54   HD13  ILE   6          3HD1      ILE   6 -15.305   3.205   7.255
   55    H    ILE   7           H        ILE   7 -13.136   6.525  10.991
   56    HA   ILE   7           HA       ILE   7 -14.023   5.981  13.749
   57    HB   ILE   7           HB       ILE   7 -11.679   7.189  14.209
   58   HG12  ILE   7          2HG1      ILE   7 -10.927   5.436  11.899
   59   HG13  ILE   7          3HG1      ILE   7 -11.394   7.106  11.597
   60   HG21  ILE   7          1HG2      ILE   7 -12.251   5.149  15.259
   61   HG22  ILE   7          2HG2      ILE   7 -12.216   4.269  13.733
   62   HG23  ILE   7          3HG2      ILE   7 -10.715   4.866  14.440
   63   HD11  ILE   7          1HD1      ILE   7  -9.100   7.233  11.775
   64   HD12  ILE   7          2HD1      ILE   7  -9.632   7.669  13.400
   65   HD13  ILE   7          3HD1      ILE   7  -9.030   6.043  13.076
   66    H    ASN   8           H        ASN   8 -14.734   7.673  14.927
   67    HA   ASN   8           HA       ASN   8 -14.155  10.397  14.111
   68    HB2  ASN   8          2HB       ASN   8 -16.459   9.193  13.137
   69    HB3  ASN   8          3HB       ASN   8 -17.024  10.099  14.538
   70   HD21  ASN   8          1HD2      ASN   8 -15.786  10.261  11.340
   71   HD22  ASN   8          2HD2      ASN   8 -15.912  11.973  11.143
   72    H    GLY   9           H        GLY   9 -13.724  11.508  15.895
   73    HA2  GLY   9          2HA       GLY   9 -14.905  10.580  18.434
   74    HA3  GLY   9          3HA       GLY   9 -13.372  11.426  18.290
   75    H    LYS  10           H        LYS  10 -14.732  12.550  20.108
   76    HA   LYS  10           HA       LYS  10 -16.849  14.238  19.591
   77    HB2  LYS  10          2HB       LYS  10 -14.544  14.398  21.504
   78    HB3  LYS  10          3HB       LYS  10 -15.702  15.718  21.408
   79    HG2  LYS  10          2HG       LYS  10 -17.488  13.904  21.751
   80    HG3  LYS  10          3HG       LYS  10 -16.144  12.889  22.280
   81    HD2  LYS  10          2HD       LYS  10 -16.714  15.612  23.437
   82    HD3  LYS  10          3HD       LYS  10 -17.372  14.118  24.109
   83    HE2  LYS  10          2HE       LYS  10 -15.332  13.399  24.863
   84    HE3  LYS  10          3HE       LYS  10 -14.442  14.279  23.622
   85    HZ1  LYS  10          1HZ       LYS  10 -15.024  15.064  26.266
   86    HZ2  LYS  10          2HZ       LYS  10 -15.723  16.172  25.196
   87    HZ3  LYS  10          3HZ       LYS  10 -14.065  15.850  25.116
   88    H    THR  11           H        THR  11 -13.381  14.936  19.244
   89    HA   THR  11           HA       THR  11 -14.060  17.021  17.302
   90    HB   THR  11           HB       THR  11 -12.132  18.396  18.341
   91    HG1  THR  11           HG1      THR  11 -12.606  16.440  20.277
   92   HG21  THR  11          1HG2      THR  11 -14.512  19.063  18.344
   93   HG22  THR  11          2HG2      THR  11 -13.671  19.568  19.809
   94   HG23  THR  11          3HG2      THR  11 -14.741  18.166  19.844
   95    H    LEU  12           H        LEU  12 -12.934  14.283  17.175
   96    HA   LEU  12           HA       LEU  12 -10.399  14.964  15.840
   97    HB2  LEU  12          2HB       LEU  12  -9.998  13.725  17.920
   98    HB3  LEU  12          3HB       LEU  12 -11.036  12.425  17.337
   99    HG   LEU  12           HG       LEU  12  -9.316  12.345  15.362
  100   HD11  LEU  12          1HD1      LEU  12  -7.911  14.144  15.756
  101   HD12  LEU  12          2HD1      LEU  12  -7.003  12.788  16.423
  102   HD13  LEU  12          3HD1      LEU  12  -7.883  13.873  17.498
  103   HD21  LEU  12          1HD2      LEU  12  -7.814  10.962  17.097
  104   HD22  LEU  12          2HD2      LEU  12  -9.365  10.385  16.489
  105   HD23  LEU  12          3HD2      LEU  12  -9.272  11.163  18.069
  106    H    LYS  13           H        LYS  13 -10.253  14.378  13.769
  107    HA   LYS  13           HA       LYS  13 -12.497  13.082  12.509
  108    HB2  LYS  13          2HB       LYS  13 -11.356  13.559  10.420
  109    HB3  LYS  13          3HB       LYS  13 -11.334  14.985  11.448
  110    HG2  LYS  13          2HG       LYS  13  -9.012  14.260  12.161
  111    HG3  LYS  13          3HG       LYS  13  -9.075  13.110  10.824
  112    HD2  LYS  13          2HD       LYS  13  -9.594  15.059   9.316
  113    HD3  LYS  13          3HD       LYS  13  -9.227  16.116  10.682
  114    HE2  LYS  13          2HE       LYS  13  -7.200  16.045   9.584
  115    HE3  LYS  13          3HE       LYS  13  -7.005  14.762  10.778
  116    HZ1  LYS  13          1HZ       LYS  13  -6.599  13.373   9.122
  117    HZ2  LYS  13          2HZ       LYS  13  -6.881  14.583   7.974
  118    HZ3  LYS  13          3HZ       LYS  13  -8.162  13.622   8.519
  119    H    GLY  14           H        GLY  14 -12.037  11.353  10.815
  120    HA2  GLY  14          2HA       GLY  14  -9.814   9.623  11.108
  121    HA3  GLY  14          3HA       GLY  14 -11.164   9.020  12.058
  122    H    GLU  15           H        GLU  15  -9.789   7.979   9.612
  123    HA   GLU  15           HA       GLU  15 -12.026   6.897   8.323
  124    HB2  GLU  15          2HB       GLU  15 -11.697   7.998   6.070
  125    HB3  GLU  15          3HB       GLU  15 -12.450   8.996   7.305
  126    HG2  GLU  15          2HG       GLU  15 -10.247  10.040   7.739
  127    HG3  GLU  15          3HG       GLU  15  -9.585   9.111   6.395
  128    H    THR  16           H        THR  16 -11.319   4.985   7.674
  129    HA   THR  16           HA       THR  16  -8.935   4.707   6.088
  130    HB   THR  16           HB       THR  16  -8.778   2.899   8.406
  131    HG1  THR  16           HG1      THR  16  -8.421   4.382   9.892
  132   HG21  THR  16          1HG2      THR  16  -7.045   4.155   6.427
  133   HG22  THR  16          2HG2      THR  16  -6.842   2.641   7.308
  134   HG23  THR  16          3HG2      THR  16  -6.355   4.165   8.050
  135    H    THR  17           H        THR  17  -8.481   2.168   5.906
  136    HA   THR  17           HA       THR  17 -10.959   0.639   5.937
  137    HB   THR  17           HB       THR  17 -10.863   0.023   3.600
  138    HG1  THR  17           HG1      THR  17  -8.455   1.464   3.697
  139   HG21  THR  17          1HG2      THR  17 -10.625   3.024   3.677
  140   HG22  THR  17          2HG2      THR  17 -12.019   2.167   4.336
  141   HG23  THR  17          3HG2      THR  17 -11.631   2.033   2.621
  142    H    THR  18           H        THR  18 -10.607  -1.651   5.386
  143    HA   THR  18           HA       THR  18  -8.006  -2.743   5.138
  144    HB   THR  18           HB       THR  18  -7.870  -1.965   7.504
  145    HG1  THR  18           HG1      THR  18  -7.915  -4.805   7.357
  146   HG21  THR  18          1HG2      THR  18 -10.029  -4.029   7.964
  147   HG22  THR  18          2HG2      THR  18 -10.229  -2.282   8.106
  148   HG23  THR  18          3HG2      THR  18  -9.159  -3.142   9.215
  149    H    GLU  19           H        GLU  19  -8.007  -5.061   5.081
  150    HA   GLU  19           HA       GLU  19 -10.667  -6.139   4.496
  151    HB2  GLU  19          2HB       GLU  19  -7.952  -7.302   3.854
  152    HB3  GLU  19          3HB       GLU  19  -9.503  -7.905   3.287
  153    HG2  GLU  19          2HG       GLU  19  -9.626  -6.400   1.643
  154    HG3  GLU  19          3HG       GLU  19  -9.021  -5.093   2.660
  155    H    ALA  20           H        ALA  20 -11.420  -8.058   5.392
  156    HA   ALA  20           HA       ALA  20  -9.833  -9.388   7.435
  157    HB1  ALA  20          1HB       ALA  20 -11.448  -9.109   9.194
  158    HB2  ALA  20          2HB       ALA  20 -10.968  -7.518   8.602
  159    HB3  ALA  20          3HB       ALA  20 -12.519  -8.205   8.122
  160    H    VAL  21           H        VAL  21 -10.416 -11.500   7.774
  161    HA   VAL  21           HA       VAL  21 -12.359 -12.590   5.885
  162    HB   VAL  21           HB       VAL  21 -10.127 -13.605   5.938
  163   HG11  VAL  21          1HG1      VAL  21 -10.825 -14.418   8.758
  164   HG12  VAL  21          2HG1      VAL  21  -9.380 -14.894   7.864
  165   HG13  VAL  21          3HG1      VAL  21  -9.628 -13.204   8.306
  166   HG21  VAL  21          1HG2      VAL  21 -12.067 -14.957   5.296
  167   HG22  VAL  21          2HG2      VAL  21 -10.828 -15.934   6.083
  168   HG23  VAL  21          3HG2      VAL  21 -12.273 -15.456   6.974
  169    H    ASP  22           H        ASP  22 -11.762 -12.324   9.331
  170    HA   ASP  22           HA       ASP  22 -14.455 -13.405   9.815
  171    HB2  ASP  22          2HB       ASP  22 -12.122 -14.671  10.583
  172    HB3  ASP  22          3HB       ASP  22 -12.594 -13.794  12.036
  173    H    ALA  23           H        ALA  23 -15.197 -12.798  12.114
  174    HA   ALA  23           HA       ALA  23 -15.297  -9.990  12.290
  175    HB1  ALA  23          1HB       ALA  23 -16.480 -12.242  13.655
  176    HB2  ALA  23          2HB       ALA  23 -16.063 -10.954  14.785
  177    HB3  ALA  23          3HB       ALA  23 -17.114 -10.614  13.410
  178    H    ALA  24           H        ALA  24 -13.185 -12.354  13.719
  179    HA   ALA  24           HA       ALA  24 -12.103 -10.488  15.659
  180    HB1  ALA  24          1HB       ALA  24 -10.475 -12.449  16.032
  181    HB2  ALA  24          2HB       ALA  24 -12.161 -12.651  16.507
  182    HB3  ALA  24          3HB       ALA  24 -11.579 -13.362  15.002
  183    H    THR  25           H        THR  25 -11.297 -11.795  12.520
  184    HA   THR  25           HA       THR  25  -8.604 -11.260  12.322
  185    HB   THR  25           HB       THR  25 -10.625 -10.778  10.125
  186    HG1  THR  25           HG1      THR  25  -9.189 -13.181  10.561
  187   HG21  THR  25          1HG2      THR  25  -7.980 -11.893   9.502
  188   HG22  THR  25          2HG2      THR  25  -7.956 -10.231  10.094
  189   HG23  THR  25          3HG2      THR  25  -8.911 -10.647   8.670
  190    H    ALA  26           H        ALA  26 -11.315  -9.022  11.935
  191    HA   ALA  26           HA       ALA  26  -9.620  -6.799  11.252
  192    HB1  ALA  26          1HB       ALA  26 -11.872  -5.552  11.759
  193    HB2  ALA  26          2HB       ALA  26 -11.688  -6.528  10.302
  194    HB3  ALA  26          3HB       ALA  26 -12.540  -7.185  11.700
  195    H    GLU  27           H        GLU  27 -10.976  -8.159  14.155
  196    HA   GLU  27           HA       GLU  27 -10.585  -5.838  15.786
  197    HB2  GLU  27          2HB       GLU  27 -12.242  -7.340  16.545
  198    HB3  GLU  27          3HB       GLU  27 -11.177  -8.728  16.377
  199    HG2  GLU  27          2HG       GLU  27  -9.875  -8.036  18.264
  200    HG3  GLU  27          3HG       GLU  27 -10.764  -6.519  18.375
  201    H    LYS  28           H        LYS  28  -8.682  -8.635  14.912
  202    HA   LYS  28           HA       LYS  28  -6.645  -8.107  16.896
  203    HB2  LYS  28          2HB       LYS  28  -6.970 -10.120  14.688
  204    HB3  LYS  28          3HB       LYS  28  -5.422  -9.923  15.501
  205    HG2  LYS  28          2HG       LYS  28  -7.955 -10.434  17.023
  206    HG3  LYS  28          3HG       LYS  28  -6.979 -11.744  16.355
  207    HD2  LYS  28          2HD       LYS  28  -5.014 -10.663  17.589
  208    HD3  LYS  28          3HD       LYS  28  -6.236  -9.737  18.464
  209    HE2  LYS  28          2HE       LYS  28  -7.191 -11.694  19.387
  210    HE3  LYS  28          3HE       LYS  28  -6.299 -12.738  18.281
  211    HZ1  LYS  28          1HZ       LYS  28  -5.186 -12.890  20.315
  212    HZ2  LYS  28          2HZ       LYS  28  -5.265 -11.226  20.603
  213    HZ3  LYS  28          3HZ       LYS  28  -4.236 -11.829  19.402
  214    H    VAL  29           H        VAL  29  -7.263  -7.363  13.557
  215    HA   VAL  29           HA       VAL  29  -4.553  -6.528  13.004
  216    HB   VAL  29           HB       VAL  29  -6.294  -7.451  11.313
  217   HG11  VAL  29          1HG1      VAL  29  -6.963  -4.601  10.804
  218   HG12  VAL  29          2HG1      VAL  29  -7.877  -6.064  10.431
  219   HG13  VAL  29          3HG1      VAL  29  -7.839  -5.443  12.082
  220   HG21  VAL  29          1HG2      VAL  29  -4.731  -4.993  10.539
  221   HG22  VAL  29          2HG2      VAL  29  -4.003  -6.574  10.817
  222   HG23  VAL  29          3HG2      VAL  29  -5.166  -6.358   9.510
  223    H    PHE  30           H        PHE  30  -7.444  -5.115  14.239
  224    HA   PHE  30           HA       PHE  30  -6.587  -2.394  13.693
  225    HB2  PHE  30          2HB       PHE  30  -9.047  -3.682  14.764
  226    HB3  PHE  30          3HB       PHE  30  -8.712  -2.031  15.275
  227    HD1  PHE  30           HD1      PHE  30  -7.571  -0.812  12.907
  228    HD2  PHE  30           HD2      PHE  30 -10.783  -3.583  13.254
  229    HE1  PHE  30           HE1      PHE  30  -8.522   0.033  10.801
  230    HE2  PHE  30           HE2      PHE  30 -11.739  -2.744  11.149
  231    HZ   PHE  30           HZ       PHE  30 -10.608  -0.934   9.919
  232    H    LYS  31           H        LYS  31  -6.589  -4.697  16.299
  233    HA   LYS  31           HA       LYS  31  -6.271  -3.033  18.502
  234    HB2  LYS  31          2HB       LYS  31  -5.428  -4.917  19.660
  235    HB3  LYS  31          3HB       LYS  31  -6.560  -5.556  18.476
  236    HG2  LYS  31          2HG       LYS  31  -4.911  -6.986  17.999
  237    HG3  LYS  31          3HG       LYS  31  -4.235  -5.639  17.079
  238    HD2  LYS  31          2HD       LYS  31  -2.414  -6.116  18.351
  239    HD3  LYS  31          3HD       LYS  31  -3.239  -5.040  19.483
  240    HE2  LYS  31          2HE       LYS  31  -3.780  -7.985  19.510
  241    HE3  LYS  31          3HE       LYS  31  -2.353  -7.333  20.314
  242    HZ1  LYS  31          1HZ       LYS  31  -3.725  -7.064  22.037
  243    HZ2  LYS  31          2HZ       LYS  31  -5.122  -7.197  21.094
  244    HZ3  LYS  31          3HZ       LYS  31  -4.315  -5.715  21.204
  245    H    GLN  32           H        GLN  32  -4.065  -3.790  15.948
  246    HA   GLN  32           HA       GLN  32  -1.741  -2.829  17.389
  247    HB2  GLN  32          2HB       GLN  32  -0.475  -3.434  15.479
  248    HB3  GLN  32          3HB       GLN  32  -1.683  -4.696  15.680
  249    HG2  GLN  32          2HG       GLN  32  -3.000  -3.047  14.014
  250    HG3  GLN  32          3HG       GLN  32  -1.338  -2.729  13.522
  251   HE21  GLN  32          1HE2      GLN  32  -1.645  -3.691  11.518
  252   HE22  GLN  32          2HE2      GLN  32  -1.777  -5.403  11.328
  253    H    TYR  33           H        TYR  33  -4.135  -1.608  15.209
  254    HA   TYR  33           HA       TYR  33  -2.603   0.740  14.491
  255    HB2  TYR  33          2HB       TYR  33  -5.303  -0.337  13.805
  256    HB3  TYR  33          3HB       TYR  33  -4.999   1.380  13.572
  257    HD1  TYR  33           HD1      TYR  33  -4.776  -1.815  12.100
  258    HD2  TYR  33           HD2      TYR  33  -2.824   1.963  12.226
  259    HE1  TYR  33           HE1      TYR  33  -3.702  -2.305   9.942
  260    HE2  TYR  33           HE2      TYR  33  -1.744   1.484  10.068
  261    HH   TYR  33           HH       TYR  33  -1.105  -0.606   8.755
  262    H    PHE  34           H        PHE  34  -5.266  -0.103  16.638
  263    HA   PHE  34           HA       PHE  34  -6.107   2.421  17.407
  264    HB2  PHE  34          2HB       PHE  34  -6.104  -0.263  18.700
  265    HB3  PHE  34          3HB       PHE  34  -6.466   1.132  19.712
  266    HD1  PHE  34           HD1      PHE  34  -7.363   0.289  16.192
  267    HD2  PHE  34           HD2      PHE  34  -8.724   1.182  20.125
  268    HE1  PHE  34           HE1      PHE  34  -9.689   0.262  15.389
  269    HE2  PHE  34           HE2      PHE  34 -11.052   1.155  19.329
  270    HZ   PHE  34           HZ       PHE  34 -11.536   0.694  16.958
  271    H    ASN  35           H        ASN  35  -3.225   0.676  18.279
  272    HA   ASN  35           HA       ASN  35  -2.500   2.072  20.597
  273    HB2  ASN  35          2HB       ASN  35  -1.394  -0.003  19.868
  274    HB3  ASN  35          3HB       ASN  35  -0.697   0.850  18.493
  275   HD21  ASN  35          1HD2      ASN  35   1.396   1.007  18.856
  276   HD22  ASN  35          2HD2      ASN  35   2.132   1.557  20.319
  277    H    ASP  36           H        ASP  36  -2.442   2.992  17.271
  278    HA   ASP  36           HA       ASP  36  -0.453   4.902  17.171
  279    HB2  ASP  36          2HB       ASP  36  -1.640   4.316  15.173
  280    HB3  ASP  36          3HB       ASP  36  -3.170   4.865  15.853
  281    H    ASN  37           H        ASN  37  -3.814   5.307  18.249
  282    HA   ASN  37           HA       ASN  37  -3.107   7.956  19.302
  283    HB2  ASN  37          2HB       ASN  37  -5.014   8.049  17.850
  284    HB3  ASN  37          3HB       ASN  37  -5.780   6.696  18.676
  285   HD21  ASN  37          1HD2      ASN  37  -4.584   9.977  19.233
  286   HD22  ASN  37          2HD2      ASN  37  -5.795  10.409  20.387
  287    H    GLY  38           H        GLY  38  -3.896   4.743  20.222
  288    HA2  GLY  38          2HA       GLY  38  -3.847   3.752  22.302
  289    HA3  GLY  38          3HA       GLY  38  -3.378   5.306  22.977
  290    H    LEU  39           H        LEU  39  -6.292   4.630  21.107
  291    HA   LEU  39           HA       LEU  39  -7.896   5.677  23.295
  292    HB2  LEU  39          2HB       LEU  39  -9.687   5.807  21.724
  293    HB3  LEU  39          3HB       LEU  39  -8.231   6.440  20.960
  294    HG   LEU  39           HG       LEU  39  -8.890   3.590  20.469
  295   HD11  LEU  39          1HD1      LEU  39 -10.226   5.456  18.643
  296   HD12  LEU  39          2HD1      LEU  39 -10.951   5.338  20.246
  297   HD13  LEU  39          3HD1      LEU  39 -10.753   3.890  19.259
  298   HD21  LEU  39          1HD2      LEU  39  -7.007   4.196  19.319
  299   HD22  LEU  39          2HD2      LEU  39  -7.549   5.858  19.082
  300   HD23  LEU  39          3HD2      LEU  39  -8.240   4.557  18.111
  301    H    ASP  40           H        ASP  40 -10.070   4.561  23.654
  302    HA   ASP  40           HA       ASP  40  -9.713   1.637  23.678
  303    HB2  ASP  40          2HB       ASP  40 -10.999   1.705  25.880
  304    HB3  ASP  40          3HB       ASP  40  -9.334   2.278  25.924
  305    H    GLY  41           H        GLY  41 -11.188   3.455  21.852
  306    HA2  GLY  41          2HA       GLY  41 -13.965   3.301  22.381
  307    HA3  GLY  41          3HA       GLY  41 -13.231   3.588  20.810
  308    H    GLU  42           H        GLU  42 -15.328   2.228  20.444
  309    HA   GLU  42           HA       GLU  42 -14.510  -0.602  20.331
  310    HB2  GLU  42          2HB       GLU  42 -17.296   0.505  20.716
  311    HB3  GLU  42          3HB       GLU  42 -16.912  -1.194  20.482
  312    HG2  GLU  42          2HG       GLU  42 -15.298  -0.327  22.599
  313    HG3  GLU  42          3HG       GLU  42 -16.896   0.362  22.886
  314    H    TRP  43           H        TRP  43 -15.582  -1.829  18.562
  315    HA   TRP  43           HA       TRP  43 -16.148  -0.128  16.228
  316    HB2  TRP  43          2HB       TRP  43 -14.794  -1.478  14.813
  317    HB3  TRP  43          3HB       TRP  43 -13.813  -1.118  16.232
  318    HD1  TRP  43           HD1      TRP  43 -13.817  -3.196  18.154
  319    HE1  TRP  43           HE1      TRP  43 -13.662  -5.729  17.722
  320    HE3  TRP  43           HE3      TRP  43 -15.295  -3.276  13.261
  321    HZ2  TRP  43           HZ2      TRP  43 -14.108  -7.523  15.588
  322    HZ3  TRP  43           HZ3      TRP  43 -15.404  -5.441  12.097
  323    HH2  TRP  43           HH2      TRP  43 -14.822  -7.519  13.237
  324    H    THR  44           H        THR  44 -17.849  -0.721  15.001
  325    HA   THR  44           HA       THR  44 -19.405  -3.022  15.911
  326    HB   THR  44           HB       THR  44 -20.329  -1.025  13.859
  327    HG1  THR  44           HG1      THR  44 -21.106   0.236  15.591
  328   HG21  THR  44          1HG2      THR  44 -21.926  -2.673  13.980
  329   HG22  THR  44          2HG2      THR  44 -22.499  -1.589  15.247
  330   HG23  THR  44          3HG2      THR  44 -21.582  -3.035  15.671
  331    H    TYR  45           H        TYR  45 -20.481  -4.388  14.296
  332    HA   TYR  45           HA       TYR  45 -18.779  -4.788  11.924
  333    HB2  TYR  45          2HB       TYR  45 -19.619  -7.208  12.102
  334    HB3  TYR  45          3HB       TYR  45 -18.433  -6.674  13.289
  335    HD1  TYR  45           HD1      TYR  45 -21.825  -7.846  12.756
  336    HD2  TYR  45           HD2      TYR  45 -19.146  -6.181  15.612
  337    HE1  TYR  45           HE1      TYR  45 -23.343  -8.527  14.568
  338    HE2  TYR  45           HE2      TYR  45 -20.656  -6.860  17.432
  339    HH   TYR  45           HH       TYR  45 -22.506  -7.971  17.971
  340    H    ASP  46           H        ASP  46 -19.790  -4.145  10.148
  341    HA   ASP  46           HA       ASP  46 -22.638  -4.827   9.834
  342    HB2  ASP  46          2HB       ASP  46 -21.451  -2.366   8.584
  343    HB3  ASP  46          3HB       ASP  46 -23.144  -2.742   8.890
  344    H    ASP  47           H        ASP  47 -22.194  -6.658   8.621
  345    HA   ASP  47           HA       ASP  47 -20.442  -6.587   6.352
  346    HB2  ASP  47          2HB       ASP  47 -21.481  -8.593   7.915
  347    HB3  ASP  47          3HB       ASP  47 -22.416  -8.757   6.432
  348    H    ALA  48           H        ALA  48 -23.787  -5.946   6.923
  349    HA   ALA  48           HA       ALA  48 -24.954  -6.433   4.469
  350    HB1  ALA  48          1HB       ALA  48 -25.525  -4.050   6.224
  351    HB2  ALA  48          2HB       ALA  48 -26.615  -4.797   5.056
  352    HB3  ALA  48          3HB       ALA  48 -26.145  -5.677   6.510
  353    H    THR  49           H        THR  49 -22.849  -3.801   5.435
  354    HA   THR  49           HA       THR  49 -22.861  -2.850   2.646
  355    HB   THR  49           HB       THR  49 -23.956  -1.131   3.867
  356    HG1  THR  49           HG1      THR  49 -22.613   0.516   3.362
  357   HG21  THR  49          1HG2      THR  49 -22.108  -0.260   5.803
  358   HG22  THR  49          2HG2      THR  49 -22.260  -2.005   6.012
  359   HG23  THR  49          3HG2      THR  49 -23.694  -0.982   6.074
  360    H    LYS  50           H        LYS  50 -21.090  -4.277   5.041
  361    HA   LYS  50           HA       LYS  50 -18.882  -4.757   5.299
  362    HB2  LYS  50          2HB       LYS  50 -18.480  -3.448   2.608
  363    HB3  LYS  50          3HB       LYS  50 -17.429  -4.624   3.386
  364    HG2  LYS  50          2HG       LYS  50 -18.483  -6.112   2.100
  365    HG3  LYS  50          3HG       LYS  50 -19.785  -5.982   3.285
  366    HD2  LYS  50          2HD       LYS  50 -21.054  -4.599   1.928
  367    HD3  LYS  50          3HD       LYS  50 -19.657  -4.073   0.986
  368    HE2  LYS  50          2HE       LYS  50 -19.617  -6.021  -0.275
  369    HE3  LYS  50          3HE       LYS  50 -20.528  -6.935   0.926
  370    HZ1  LYS  50          1HZ       LYS  50 -22.437  -5.395   0.359
  371    HZ2  LYS  50          2HZ       LYS  50 -22.016  -6.540  -0.813
  372    HZ3  LYS  50          3HZ       LYS  50 -21.538  -4.927  -0.997
  373    H    THR  51           H        THR  51 -19.597  -2.642   6.712
  374    HA   THR  51           HA       THR  51 -17.222  -0.953   6.616
  375    HB   THR  51           HB       THR  51 -20.034   0.149   6.561
  376    HG1  THR  51           HG1      THR  51 -19.246   1.206   4.709
  377   HG21  THR  51          1HG2      THR  51 -18.291   2.295   6.556
  378   HG22  THR  51          2HG2      THR  51 -17.619   1.220   7.782
  379   HG23  THR  51          3HG2      THR  51 -19.289   1.772   7.911
  380    H    PHE  52           H        PHE  52 -16.425  -0.579   8.592
  381    HA   PHE  52           HA       PHE  52 -18.047  -1.406  10.893
  382    HB2  PHE  52          2HB       PHE  52 -15.058  -0.958  10.745
  383    HB3  PHE  52          3HB       PHE  52 -15.946  -1.657  12.095
  384    HD1  PHE  52           HD1      PHE  52 -17.755  -3.519  10.767
  385    HD2  PHE  52           HD2      PHE  52 -13.672  -2.630   9.961
  386    HE1  PHE  52           HE1      PHE  52 -17.461  -5.762   9.800
  387    HE2  PHE  52           HE2      PHE  52 -13.371  -4.870   8.990
  388    HZ   PHE  52           HZ       PHE  52 -15.267  -6.440   8.909
  389    H    THR  53           H        THR  53 -18.743   0.024  12.345
  390    HA   THR  53           HA       THR  53 -17.964   2.820  12.025
  391    HB   THR  53           HB       THR  53 -19.906   3.410  13.260
  392    HG1  THR  53           HG1      THR  53 -20.698   2.140  14.759
  393   HG21  THR  53          1HG2      THR  53 -20.559   1.029  11.519
  394   HG22  THR  53          2HG2      THR  53 -20.382   2.699  10.981
  395   HG23  THR  53          3HG2      THR  53 -21.712   2.253  12.048
  396    H    VAL  54           H        VAL  54 -16.670   3.852  13.405
  397    HA   VAL  54           HA       VAL  54 -16.280   2.743  16.097
  398    HB   VAL  54           HB       VAL  54 -14.040   3.691  14.305
  399   HG11  VAL  54          1HG1      VAL  54 -13.555   4.247  16.580
  400   HG12  VAL  54          2HG1      VAL  54 -14.056   2.648  17.132
  401   HG13  VAL  54          3HG1      VAL  54 -12.601   2.827  16.153
  402   HG21  VAL  54          1HG2      VAL  54 -13.325   1.427  14.161
  403   HG22  VAL  54          2HG2      VAL  54 -14.528   0.904  15.338
  404   HG23  VAL  54          3HG2      VAL  54 -15.038   1.451  13.742
  405    H    THR  55           H        THR  55 -15.819   4.236  17.706
  406    HA   THR  55           HA       THR  55 -15.922   7.071  16.912
  407    HB   THR  55           HB       THR  55 -17.101   7.272  19.281
  408    HG1  THR  55           HG1      THR  55 -18.085   5.486  19.931
  409   HG21  THR  55          1HG2      THR  55 -17.931   7.855  16.912
  410   HG22  THR  55          2HG2      THR  55 -19.137   7.575  18.169
  411   HG23  THR  55          3HG2      THR  55 -18.785   6.314  16.988
  412    H    GLU  56           H        GLU  56 -13.966   7.863  17.360
  413    HA   GLU  56           HA       GLU  56 -12.361   6.831  19.517
  414    HB2  GLU  56          2HB       GLU  56 -11.815   9.272  17.827
  415    HB3  GLU  56          3HB       GLU  56 -10.651   8.325  18.744
  416    HG2  GLU  56          2HG       GLU  56 -11.633   6.415  17.130
  417    HG3  GLU  56          3HG       GLU  56 -11.834   7.828  16.096
  Start of MODEL    2
    1    H1   MET   1           H        MET   1 -11.779 -10.695   3.882
    2    HA   MET   1           HA       MET   1 -13.155 -10.253   1.331
    3    HB2  MET   1          2HB       MET   1 -14.508 -10.370   4.032
    4    HB3  MET   1          3HB       MET   1 -15.276  -9.824   2.548
    5    HG2  MET   1          2HG       MET   1 -14.024 -12.504   2.515
    6    HG3  MET   1          3HG       MET   1 -15.499 -12.307   3.458
    7    HE1  MET   1          1HE       MET   1 -17.174 -13.993   0.642
    8    HE2  MET   1          2HE       MET   1 -15.444 -14.274   0.446
    9    HE3  MET   1          3HE       MET   1 -16.151 -14.215   2.061
   10    H    THR   2           H        THR   2 -13.042  -8.199   0.711
   11    HA   THR   2           HA       THR   2 -11.627  -6.235   2.040
   12    HB   THR   2           HB       THR   2 -13.882  -5.649   0.118
   13    HG1  THR   2           HG1      THR   2 -11.186  -6.177  -0.601
   14   HG21  THR   2          1HG2      THR   2 -11.500  -4.174   1.129
   15   HG22  THR   2          2HG2      THR   2 -13.122  -3.585   0.765
   16   HG23  THR   2          3HG2      THR   2 -11.991  -3.918  -0.545
   17    H    PHE   3           H        PHE   3 -12.138  -4.509   3.346
   18    HA   PHE   3           HA       PHE   3 -14.899  -4.128   4.193
   19    HB2  PHE   3          2HB       PHE   3 -12.724  -5.209   5.922
   20    HB3  PHE   3          3HB       PHE   3 -13.853  -4.064   6.638
   21    HD1  PHE   3           HD1      PHE   3 -13.243  -7.449   5.919
   22    HD2  PHE   3           HD2      PHE   3 -16.382  -4.594   6.249
   23    HE1  PHE   3           HE1      PHE   3 -14.859  -9.272   6.265
   24    HE2  PHE   3           HE2      PHE   3 -18.004  -6.412   6.597
   25    HZ   PHE   3           HZ       PHE   3 -17.243  -8.754   6.606
   26    H    LYS   4           H        LYS   4 -14.999  -2.250   5.819
   27    HA   LYS   4           HA       LYS   4 -12.856  -0.310   5.515
   28    HB2  LYS   4          2HB       LYS   4 -14.028   0.310   3.582
   29    HB3  LYS   4          3HB       LYS   4 -15.594   0.013   4.325
   30    HG2  LYS   4          2HG       LYS   4 -15.331   1.975   5.726
   31    HG3  LYS   4          3HG       LYS   4 -13.725   2.260   5.052
   32    HD2  LYS   4          2HD       LYS   4 -15.645   1.990   2.934
   33    HD3  LYS   4          3HD       LYS   4 -16.190   3.207   4.089
   34    HE2  LYS   4          2HE       LYS   4 -13.576   3.865   3.860
   35    HE3  LYS   4          3HE       LYS   4 -13.894   3.231   2.246
   36    HZ1  LYS   4          1HZ       LYS   4 -15.793   5.143   3.398
   37    HZ2  LYS   4          2HZ       LYS   4 -15.368   4.891   1.781
   38    HZ3  LYS   4          3HZ       LYS   4 -14.320   5.730   2.810
   39    H    ALA   5           H        ALA   5 -12.503   0.110   7.605
   40    HA   ALA   5           HA       ALA   5 -14.787   0.443   9.411
   41    HB1  ALA   5          1HB       ALA   5 -12.486  -0.932   9.773
   42    HB2  ALA   5          2HB       ALA   5 -12.072   0.610  10.525
   43    HB3  ALA   5          3HB       ALA   5 -13.478  -0.294  11.085
   44    H    ILE   6           H        ILE   6 -15.433   2.387  10.066
   45    HA   ILE   6           HA       ILE   6 -13.751   4.704   9.418
   46    HB   ILE   6           HB       ILE   6 -16.712   4.451   9.918
   47   HG12  ILE   6          2HG1      ILE   6 -16.629   5.680   7.620
   48   HG13  ILE   6          3HG1      ILE   6 -14.965   5.106   7.563
   49   HG21  ILE   6          1HG2      ILE   6 -16.171   6.446  11.035
   50   HG22  ILE   6          2HG2      ILE   6 -14.998   6.914   9.806
   51   HG23  ILE   6          3HG2      ILE   6 -16.721   6.950   9.436
   52   HD11  ILE   6          1HD1      ILE   6 -16.761   3.699   6.427
   53   HD12  ILE   6          2HD1      ILE   6 -15.620   2.873   7.488
   54   HD13  ILE   6          3HD1      ILE   6 -17.249   3.236   8.056
   55    H    ILE   7           H        ILE   7 -13.133   6.177  10.939
   56    HA   ILE   7           HA       ILE   7 -13.888   5.609  13.730
   57    HB   ILE   7           HB       ILE   7 -11.493   6.673  14.145
   58   HG12  ILE   7          2HG1      ILE   7 -10.813   5.058  11.730
   59   HG13  ILE   7          3HG1      ILE   7 -11.349   6.717  11.490
   60   HG21  ILE   7          1HG2      ILE   7 -12.202   3.824  13.527
   61   HG22  ILE   7          2HG2      ILE   7 -10.592   4.276  14.087
   62   HG23  ILE   7          3HG2      ILE   7 -12.000   4.600  15.098
   63   HD11  ILE   7          1HD1      ILE   7  -9.003   6.785  11.572
   64   HD12  ILE   7          2HD1      ILE   7  -9.556   7.391  13.134
   65   HD13  ILE   7          3HD1      ILE   7  -8.944   5.743  12.994
   66    H    ASN   8           H        ASN   8 -14.182   7.357  15.091
   67    HA   ASN   8           HA       ASN   8 -13.708  10.047  14.110
   68    HB2  ASN   8          2HB       ASN   8 -16.073   9.088  13.394
   69    HB3  ASN   8          3HB       ASN   8 -16.493   9.516  15.050
   70   HD21  ASN   8          1HD2      ASN   8 -17.868  11.157  14.503
   71   HD22  ASN   8          2HD2      ASN   8 -17.336  12.643  13.801
   72    H    GLY   9           H        GLY   9 -13.707  11.621  15.741
   73    HA2  GLY   9          2HA       GLY   9 -14.066  10.602  18.487
   74    HA3  GLY   9          3HA       GLY   9 -12.617  11.487  18.037
   75    H    LYS  10           H        LYS  10 -13.879  12.510  20.095
   76    HA   LYS  10           HA       LYS  10 -16.043  14.186  19.779
   77    HB2  LYS  10          2HB       LYS  10 -13.598  14.329  21.507
   78    HB3  LYS  10          3HB       LYS  10 -14.759  15.649  21.525
   79    HG2  LYS  10          2HG       LYS  10 -16.474  14.270  22.353
   80    HG3  LYS  10          3HG       LYS  10 -15.569  12.797  21.994
   81    HD2  LYS  10          2HD       LYS  10 -15.222  12.974  24.258
   82    HD3  LYS  10          3HD       LYS  10 -13.818  13.848  23.643
   83    HE2  LYS  10          2HE       LYS  10 -16.349  15.327  24.215
   84    HE3  LYS  10          3HE       LYS  10 -15.286  14.876  25.546
   85    HZ1  LYS  10          1HZ       LYS  10 -13.476  15.955  24.078
   86    HZ2  LYS  10          2HZ       LYS  10 -14.514  16.950  24.969
   87    HZ3  LYS  10          3HZ       LYS  10 -14.775  16.723  23.314
   88    H    THR  11           H        THR  11 -12.636  14.870  19.077
   89    HA   THR  11           HA       THR  11 -13.501  17.035  17.304
   90    HB   THR  11           HB       THR  11 -11.417  18.330  18.157
   91    HG1  THR  11           HG1      THR  11 -11.206  16.277  19.705
   92   HG21  THR  11          1HG2      THR  11 -13.949  18.807  18.488
   93   HG22  THR  11          2HG2      THR  11 -12.779  19.643  19.509
   94   HG23  THR  11          3HG2      THR  11 -13.665  18.254  20.138
   95    H    LEU  12           H        LEU  12 -12.451  14.287  16.952
   96    HA   LEU  12           HA       LEU  12 -10.118  14.984  15.298
   97    HB2  LEU  12          2HB       LEU  12  -9.154  13.809  17.076
   98    HB3  LEU  12          3HB       LEU  12 -10.488  12.660  17.155
   99    HG   LEU  12           HG       LEU  12  -9.718  11.698  15.000
  100   HD11  LEU  12          1HD1      LEU  12  -7.038  12.783  15.159
  101   HD12  LEU  12          2HD1      LEU  12  -8.238  14.029  14.812
  102   HD13  LEU  12          3HD1      LEU  12  -8.110  12.613  13.767
  103   HD21  LEU  12          1HD2      LEU  12  -7.490  10.816  16.032
  104   HD22  LEU  12          2HD2      LEU  12  -9.033  10.425  16.794
  105   HD23  LEU  12          3HD2      LEU  12  -8.021  11.710  17.456
  106    H    LYS  13           H        LYS  13  -9.920  13.890  13.337
  107    HA   LYS  13           HA       LYS  13 -12.419  12.726  12.366
  108    HB2  LYS  13          2HB       LYS  13 -11.401  13.030  10.116
  109    HB3  LYS  13          3HB       LYS  13 -11.545  14.528  11.026
  110    HG2  LYS  13          2HG       LYS  13  -8.987  13.130  11.355
  111    HG3  LYS  13          3HG       LYS  13  -9.314  13.722   9.725
  112    HD2  LYS  13          2HD       LYS  13  -9.703  15.489  12.116
  113    HD3  LYS  13          3HD       LYS  13  -8.108  15.283  11.389
  114    HE2  LYS  13          2HE       LYS  13 -10.496  16.031   9.735
  115    HE3  LYS  13          3HE       LYS  13  -9.567  17.250  10.604
  116    HZ1  LYS  13          1HZ       LYS  13  -8.688  17.127   8.431
  117    HZ2  LYS  13          2HZ       LYS  13  -8.611  15.438   8.463
  118    HZ3  LYS  13          3HZ       LYS  13  -7.565  16.350   9.431
  119    H    GLY  14           H        GLY  14 -12.112  10.948  10.657
  120    HA2  GLY  14          2HA       GLY  14  -9.864   9.228  10.812
  121    HA3  GLY  14          3HA       GLY  14 -11.135   8.650  11.880
  122    H    GLU  15           H        GLU  15  -9.892   7.748   9.212
  123    HA   GLU  15           HA       GLU  15 -12.166   6.471   8.189
  124    HB2  GLU  15          2HB       GLU  15 -12.218   7.649   5.941
  125    HB3  GLU  15          3HB       GLU  15 -12.927   8.522   7.292
  126    HG2  GLU  15          2HG       GLU  15 -10.830   9.807   7.515
  127    HG3  GLU  15          3HG       GLU  15 -10.210   8.983   6.086
  128    H    THR  16           H        THR  16 -11.286   4.630   7.548
  129    HA   THR  16           HA       THR  16  -9.212   4.580   5.557
  130    HB   THR  16           HB       THR  16  -8.541   3.197   8.146
  131    HG1  THR  16           HG1      THR  16  -7.126   4.991   8.526
  132   HG21  THR  16          1HG2      THR  16  -7.185   3.716   5.542
  133   HG22  THR  16          2HG2      THR  16  -7.208   2.255   6.531
  134   HG23  THR  16          3HG2      THR  16  -6.200   3.624   7.001
  135    H    THR  17           H        THR  17  -9.059   2.605   4.508
  136    HA   THR  17           HA       THR  17 -11.132   0.653   5.251
  137    HB   THR  17           HB       THR  17 -11.257  -0.017   2.966
  138    HG1  THR  17           HG1      THR  17  -9.625   0.238   1.640
  139   HG21  THR  17          1HG2      THR  17 -12.497   1.755   2.421
  140   HG22  THR  17          2HG2      THR  17 -11.058   2.749   2.191
  141   HG23  THR  17          3HG2      THR  17 -11.787   2.611   3.790
  142    H    THR  18           H        THR  18 -10.667  -1.620   4.867
  143    HA   THR  18           HA       THR  18  -8.050  -2.578   4.379
  144    HB   THR  18           HB       THR  18  -7.614  -1.626   6.612
  145    HG1  THR  18           HG1      THR  18  -6.679  -3.703   5.835
  146   HG21  THR  18          1HG2      THR  18  -9.922  -1.899   7.493
  147   HG22  THR  18          2HG2      THR  18  -8.683  -2.514   8.586
  148   HG23  THR  18          3HG2      THR  18  -9.634  -3.633   7.611
  149    H    GLU  19           H        GLU  19  -8.176  -4.657   3.782
  150    HA   GLU  19           HA       GLU  19 -10.702  -5.983   3.806
  151    HB2  GLU  19          2HB       GLU  19  -9.283  -6.341   1.921
  152    HB3  GLU  19          3HB       GLU  19  -7.944  -6.845   2.942
  153    HG2  GLU  19          2HG       GLU  19  -8.765  -8.940   3.234
  154    HG3  GLU  19          3HG       GLU  19 -10.444  -8.424   3.093
  155    H    ALA  20           H        ALA  20 -11.319  -7.851   4.889
  156    HA   ALA  20           HA       ALA  20  -9.549  -8.891   6.969
  157    HB1  ALA  20          1HB       ALA  20 -11.963  -7.295   7.444
  158    HB2  ALA  20          2HB       ALA  20 -11.882  -8.802   8.357
  159    HB3  ALA  20          3HB       ALA  20 -10.586  -7.615   8.497
  160    H    VAL  21           H        VAL  21  -9.844 -11.029   7.416
  161    HA   VAL  21           HA       VAL  21 -11.370 -12.567   5.551
  162    HB   VAL  21           HB       VAL  21  -9.888 -13.458   8.029
  163   HG11  VAL  21          1HG1      VAL  21  -9.908 -15.684   6.864
  164   HG12  VAL  21          2HG1      VAL  21 -11.475 -15.140   7.468
  165   HG13  VAL  21          3HG1      VAL  21 -11.097 -15.011   5.750
  166   HG21  VAL  21          1HG2      VAL  21  -7.988 -13.459   6.845
  167   HG22  VAL  21          2HG2      VAL  21  -8.777 -14.111   5.408
  168   HG23  VAL  21          3HG2      VAL  21  -8.838 -12.380   5.737
  169    H    ASP  22           H        ASP  22 -11.616 -11.933   9.034
  170    HA   ASP  22           HA       ASP  22 -14.460 -12.611   8.896
  171    HB2  ASP  22          2HB       ASP  22 -12.802 -14.495   9.827
  172    HB3  ASP  22          3HB       ASP  22 -13.003 -13.561  11.308
  173    H    ALA  23           H        ALA  23 -15.328 -12.205  11.340
  174    HA   ALA  23           HA       ALA  23 -15.137  -9.406  11.704
  175    HB1  ALA  23          1HB       ALA  23 -16.590 -11.630  12.961
  176    HB2  ALA  23          2HB       ALA  23 -16.288 -10.241  14.005
  177    HB3  ALA  23          3HB       ALA  23 -17.152 -10.028  12.482
  178    H    ALA  24           H        ALA  24 -13.303 -12.041  12.921
  179    HA   ALA  24           HA       ALA  24 -12.287 -10.591  15.217
  180    HB1  ALA  24          1HB       ALA  24 -11.804 -13.323  14.086
  181    HB2  ALA  24          2HB       ALA  24 -10.750 -12.655  15.333
  182    HB3  ALA  24          3HB       ALA  24 -12.472 -12.868  15.654
  183    H    THR  25           H        THR  25 -11.271 -11.434  11.967
  184    HA   THR  25           HA       THR  25  -8.565 -10.926  12.060
  185    HB   THR  25           HB       THR  25 -10.485 -10.230   9.829
  186    HG1  THR  25           HG1      THR  25 -10.170 -12.513  10.651
  187   HG21  THR  25          1HG2      THR  25  -7.694  -9.677  10.113
  188   HG22  THR  25          2HG2      THR  25  -8.754  -9.343   8.743
  189   HG23  THR  25          3HG2      THR  25  -7.916 -10.890   8.853
  190    H    ALA  26           H        ALA  26 -11.221  -8.609  11.773
  191    HA   ALA  26           HA       ALA  26  -9.461  -6.344  11.544
  192    HB1  ALA  26          1HB       ALA  26 -11.485  -5.007  11.618
  193    HB2  ALA  26          2HB       ALA  26 -11.681  -6.355  10.498
  194    HB3  ALA  26          3HB       ALA  26 -12.425  -6.420  12.095
  195    H    GLU  27           H        GLU  27 -10.951  -8.120  14.112
  196    HA   GLU  27           HA       GLU  27 -10.723  -6.039  16.080
  197    HB2  GLU  27          2HB       GLU  27 -12.434  -7.619  16.485
  198    HB3  GLU  27          3HB       GLU  27 -11.353  -8.979  16.215
  199    HG2  GLU  27          2HG       GLU  27 -10.308  -8.712  18.286
  200    HG3  GLU  27          3HG       GLU  27 -10.932  -7.076  18.489
  201    H    LYS  28           H        LYS  28  -8.791  -8.766  15.018
  202    HA   LYS  28           HA       LYS  28  -6.894  -8.498  17.181
  203    HB2  LYS  28          2HB       LYS  28  -5.782 -10.365  16.252
  204    HB3  LYS  28          3HB       LYS  28  -7.498 -10.677  16.017
  205    HG2  LYS  28          2HG       LYS  28  -6.914 -11.153  13.917
  206    HG3  LYS  28          3HG       LYS  28  -6.853  -9.402  13.701
  207    HD2  LYS  28          2HD       LYS  28  -4.527  -9.338  13.908
  208    HD3  LYS  28          3HD       LYS  28  -4.461 -10.927  14.676
  209    HE2  LYS  28          2HE       LYS  28  -3.669 -11.254  12.484
  210    HE3  LYS  28          3HE       LYS  28  -5.323 -11.862  12.482
  211    HZ1  LYS  28          1HZ       LYS  28  -5.509 -10.580  10.670
  212    HZ2  LYS  28          2HZ       LYS  28  -4.182  -9.611  11.069
  213    HZ3  LYS  28          3HZ       LYS  28  -5.690  -9.309  11.772
  214    H    VAL  29           H        VAL  29  -7.309  -7.276  13.976
  215    HA   VAL  29           HA       VAL  29  -4.539  -6.478  13.680
  216    HB   VAL  29           HB       VAL  29  -6.165  -7.145  11.778
  217   HG11  VAL  29          1HG1      VAL  29  -6.799  -4.246  11.608
  218   HG12  VAL  29          2HG1      VAL  29  -7.683  -5.638  10.977
  219   HG13  VAL  29          3HG1      VAL  29  -7.760  -5.246  12.696
  220   HG21  VAL  29          1HG2      VAL  29  -4.178  -4.923  11.800
  221   HG22  VAL  29          2HG2      VAL  29  -4.076  -6.516  11.052
  222   HG23  VAL  29          3HG2      VAL  29  -5.073  -5.260  10.317
  223    H    PHE  30           H        PHE  30  -7.485  -5.156  14.891
  224    HA   PHE  30           HA       PHE  30  -6.767  -2.401  14.631
  225    HB2  PHE  30          2HB       PHE  30  -9.006  -3.940  15.693
  226    HB3  PHE  30          3HB       PHE  30  -8.622  -2.537  16.686
  227    HD1  PHE  30           HD1      PHE  30  -7.855  -0.493  14.858
  228    HD2  PHE  30           HD2      PHE  30 -10.843  -3.490  14.399
  229    HE1  PHE  30           HE1      PHE  30  -9.061   0.956  13.276
  230    HE2  PHE  30           HE2      PHE  30 -12.052  -2.047  12.815
  231    HZ   PHE  30           HZ       PHE  30 -11.161   0.179  12.251
  232    H    LYS  31           H        LYS  31  -6.107  -4.906  16.915
  233    HA   LYS  31           HA       LYS  31  -5.620  -3.520  19.252
  234    HB2  LYS  31          2HB       LYS  31  -4.253  -5.340  19.930
  235    HB3  LYS  31          3HB       LYS  31  -5.494  -6.018  18.884
  236    HG2  LYS  31          2HG       LYS  31  -3.707  -7.075  17.998
  237    HG3  LYS  31          3HG       LYS  31  -3.612  -5.590  17.049
  238    HD2  LYS  31          2HD       LYS  31  -1.821  -4.775  18.263
  239    HD3  LYS  31          3HD       LYS  31  -2.200  -5.759  19.679
  240    HE2  LYS  31          2HE       LYS  31  -1.467  -7.157  17.160
  241    HE3  LYS  31          3HE       LYS  31  -0.185  -6.342  18.055
  242    HZ1  LYS  31          1HZ       LYS  31  -0.264  -7.842  19.702
  243    HZ2  LYS  31          2HZ       LYS  31  -0.992  -8.838  18.544
  244    HZ3  LYS  31          3HZ       LYS  31  -1.949  -7.992  19.653
  245    H    GLN  32           H        GLN  32  -3.743  -3.613  16.318
  246    HA   GLN  32           HA       GLN  32  -1.443  -2.338  17.530
  247    HB2  GLN  32          2HB       GLN  32  -1.158  -3.981  15.713
  248    HB3  GLN  32          3HB       GLN  32  -2.043  -2.921  14.626
  249    HG2  GLN  32          2HG       GLN  32   0.194  -2.545  14.114
  250    HG3  GLN  32          3HG       GLN  32  -0.256  -1.180  15.134
  251   HE21  GLN  32          1HE2      GLN  32   0.527  -1.078  17.252
  252   HE22  GLN  32          2HE2      GLN  32   1.895  -2.002  17.760
  253    H    TYR  33           H        TYR  33  -4.256  -1.446  15.671
  254    HA   TYR  33           HA       TYR  33  -3.340   1.167  14.969
  255    HB2  TYR  33          2HB       TYR  33  -5.864  -0.363  14.733
  256    HB3  TYR  33          3HB       TYR  33  -6.024   1.389  14.775
  257    HD1  TYR  33           HD1      TYR  33  -3.861  -1.169  13.104
  258    HD2  TYR  33           HD2      TYR  33  -6.053   2.459  12.739
  259    HE1  TYR  33           HE1      TYR  33  -3.280  -1.066  10.716
  260    HE2  TYR  33           HE2      TYR  33  -5.480   2.571  10.349
  261    HH   TYR  33           HH       TYR  33  -3.937   1.739   8.785
  262    H    PHE  34           H        PHE  34  -5.514  -0.107  17.469
  263    HA   PHE  34           HA       PHE  34  -6.294   2.293  18.625
  264    HB2  PHE  34          2HB       PHE  34  -5.994  -0.499  19.665
  265    HB3  PHE  34          3HB       PHE  34  -6.376   0.804  20.786
  266    HD1  PHE  34           HD1      PHE  34  -7.765  -1.690  18.850
  267    HD2  PHE  34           HD2      PHE  34  -8.326   2.412  19.841
  268    HE1  PHE  34           HE1      PHE  34 -10.142  -1.872  18.242
  269    HE2  PHE  34           HE2      PHE  34 -10.705   2.236  19.235
  270    HZ   PHE  34           HZ       PHE  34 -11.615   0.092  18.435
  271    H    ASN  35           H        ASN  35  -3.289   0.554  18.880
  272    HA   ASN  35           HA       ASN  35  -2.326   1.988  21.169
  273    HB2  ASN  35          2HB       ASN  35  -1.424  -0.192  20.815
  274    HB3  ASN  35          3HB       ASN  35  -0.981   0.188  19.153
  275   HD21  ASN  35          1HD2      ASN  35   1.120   0.344  18.939
  276   HD22  ASN  35          2HD2      ASN  35   2.215   1.052  20.071
  277    H    ASP  36           H        ASP  36  -2.340   2.484  17.745
  278    HA   ASP  36           HA       ASP  36  -0.185   4.360  17.662
  279    HB2  ASP  36          2HB       ASP  36  -1.323   2.956  15.739
  280    HB3  ASP  36          3HB       ASP  36  -2.372   4.367  15.621
  281    H    ASN  37           H        ASN  37  -3.649   4.561  18.145
  282    HA   ASN  37           HA       ASN  37  -3.534   7.484  18.164
  283    HB2  ASN  37          2HB       ASN  37  -6.041   5.906  18.637
  284    HB3  ASN  37          3HB       ASN  37  -5.852   7.496  17.907
  285   HD21  ASN  37          1HD2      ASN  37  -7.055   4.809  17.084
  286   HD22  ASN  37          2HD2      ASN  37  -6.448   4.572  15.483
  287    H    GLY  38           H        GLY  38  -3.626   4.784  20.284
  288    HA2  GLY  38          2HA       GLY  38  -3.524   4.655  22.576
  289    HA3  GLY  38          3HA       GLY  38  -3.218   6.386  22.583
  290    H    LEU  39           H        LEU  39  -6.084   5.297  21.023
  291    HA   LEU  39           HA       LEU  39  -7.666   6.397  23.242
  292    HB2  LEU  39          2HB       LEU  39  -8.306   6.050  20.319
  293    HB3  LEU  39          3HB       LEU  39  -9.470   6.595  21.525
  294    HG   LEU  39           HG       LEU  39  -6.922   8.049  20.819
  295   HD11  LEU  39          1HD1      LEU  39  -8.524   7.991  18.949
  296   HD12  LEU  39          2HD1      LEU  39  -8.318   9.610  19.615
  297   HD13  LEU  39          3HD1      LEU  39  -9.758   8.672  20.009
  298   HD21  LEU  39          1HD2      LEU  39  -8.568   8.232  23.065
  299   HD22  LEU  39          2HD2      LEU  39  -9.021   9.596  22.043
  300   HD23  LEU  39          3HD2      LEU  39  -7.342   9.387  22.541
  301    H    ASP  40           H        ASP  40  -9.492   5.318  24.012
  302    HA   ASP  40           HA       ASP  40  -9.557   2.442  23.380
  303    HB2  ASP  40          2HB       ASP  40 -10.751   2.355  25.685
  304    HB3  ASP  40          3HB       ASP  40  -9.004   2.573  25.642
  305    H    GLY  41           H        GLY  41 -11.161   2.013  22.006
  306    HA2  GLY  41          2HA       GLY  41 -13.857   2.901  22.713
  307    HA3  GLY  41          3HA       GLY  41 -13.258   3.343  21.121
  308    H    GLU  42           H        GLU  42 -15.439   1.981  20.940
  309    HA   GLU  42           HA       GLU  42 -14.658  -0.828  20.508
  310    HB2  GLU  42          2HB       GLU  42 -17.425   0.300  20.965
  311    HB3  GLU  42          3HB       GLU  42 -17.035  -1.395  20.715
  312    HG2  GLU  42          2HG       GLU  42 -15.420  -0.782  22.809
  313    HG3  GLU  42          3HG       GLU  42 -16.808   0.259  23.118
  314    H    TRP  43           H        TRP  43 -15.643  -1.904  18.656
  315    HA   TRP  43           HA       TRP  43 -16.339  -0.054  16.475
  316    HB2  TRP  43          2HB       TRP  43 -14.937  -1.207  14.936
  317    HB3  TRP  43          3HB       TRP  43 -13.952  -0.907  16.366
  318    HD1  TRP  43           HD1      TRP  43 -13.737  -3.116  18.090
  319    HE1  TRP  43           HE1      TRP  43 -13.476  -5.598  17.460
  320    HE3  TRP  43           HE3      TRP  43 -15.458  -2.918  13.280
  321    HZ2  TRP  43           HZ2      TRP  43 -13.938  -7.252  15.220
  322    HZ3  TRP  43           HZ3      TRP  43 -15.515  -4.994  11.961
  323    HH2  TRP  43           HH2      TRP  43 -14.769  -7.115  12.913
  324    H    THR  44           H        THR  44 -18.025  -0.643  15.226
  325    HA   THR  44           HA       THR  44 -19.476  -3.050  15.995
  326    HB   THR  44           HB       THR  44 -20.441  -1.040  13.977
  327    HG1  THR  44           HG1      THR  44 -20.299  -0.801  16.793
  328   HG21  THR  44          1HG2      THR  44 -22.050  -2.641  14.015
  329   HG22  THR  44          2HG2      THR  44 -22.579  -1.752  15.443
  330   HG23  THR  44          3HG2      THR  44 -21.600  -3.207  15.623
  331    H    TYR  45           H        TYR  45 -20.471  -4.405  14.316
  332    HA   TYR  45           HA       TYR  45 -18.750  -4.627  11.933
  333    HB2  TYR  45          2HB       TYR  45 -19.354  -7.121  12.079
  334    HB3  TYR  45          3HB       TYR  45 -18.189  -6.498  13.241
  335    HD1  TYR  45           HD1      TYR  45 -21.469  -7.978  12.783
  336    HD2  TYR  45           HD2      TYR  45 -18.871  -6.119  15.593
  337    HE1  TYR  45           HE1      TYR  45 -22.857  -8.835  14.624
  338    HE2  TYR  45           HE2      TYR  45 -20.251  -6.972  17.442
  339    HH   TYR  45           HH       TYR  45 -21.961  -8.282  18.011
  340    H    ASP  46           H        ASP  46 -19.869  -4.028  10.204
  341    HA   ASP  46           HA       ASP  46 -22.674  -4.908   9.979
  342    HB2  ASP  46          2HB       ASP  46 -21.663  -2.495   8.520
  343    HB3  ASP  46          3HB       ASP  46 -23.306  -2.889   9.019
  344    H    ASP  47           H        ASP  47 -22.216  -6.778   8.841
  345    HA   ASP  47           HA       ASP  47 -20.518  -6.786   6.535
  346    HB2  ASP  47          2HB       ASP  47 -21.507  -8.730   8.202
  347    HB3  ASP  47          3HB       ASP  47 -22.472  -8.967   6.747
  348    H    ALA  48           H        ALA  48 -23.839  -6.098   7.131
  349    HA   ALA  48           HA       ALA  48 -25.021  -6.714   4.691
  350    HB1  ALA  48          1HB       ALA  48 -26.275  -5.999   6.670
  351    HB2  ALA  48          2HB       ALA  48 -25.638  -4.364   6.479
  352    HB3  ALA  48          3HB       ALA  48 -26.702  -5.045   5.248
  353    H    THR  49           H        THR  49 -22.876  -4.112   5.554
  354    HA   THR  49           HA       THR  49 -22.986  -3.160   2.770
  355    HB   THR  49           HB       THR  49 -22.892  -0.904   3.380
  356    HG1  THR  49           HG1      THR  49 -22.511  -1.577   6.115
  357   HG21  THR  49          1HG2      THR  49 -25.114  -1.842   3.785
  358   HG22  THR  49          2HG2      THR  49 -24.764  -0.543   4.926
  359   HG23  THR  49          3HG2      THR  49 -24.658  -2.224   5.445
  360    H    LYS  50           H        LYS  50 -21.161  -4.606   5.073
  361    HA   LYS  50           HA       LYS  50 -18.940  -5.034   5.321
  362    HB2  LYS  50          2HB       LYS  50 -18.713  -3.784   2.577
  363    HB3  LYS  50          3HB       LYS  50 -17.501  -4.793   3.356
  364    HG2  LYS  50          2HG       LYS  50 -20.247  -5.640   2.461
  365    HG3  LYS  50          3HG       LYS  50 -18.704  -6.090   1.732
  366    HD2  LYS  50          2HD       LYS  50 -18.225  -6.932   4.208
  367    HD3  LYS  50          3HD       LYS  50 -19.985  -7.055   4.231
  368    HE2  LYS  50          2HE       LYS  50 -18.998  -9.162   3.538
  369    HE3  LYS  50          3HE       LYS  50 -19.904  -8.442   2.209
  370    HZ1  LYS  50          1HZ       LYS  50 -18.015  -7.998   1.037
  371    HZ2  LYS  50          2HZ       LYS  50 -17.515  -9.398   1.844
  372    HZ3  LYS  50          3HZ       LYS  50 -17.033  -7.879   2.411
  373    H    THR  51           H        THR  51 -19.735  -2.834   6.653
  374    HA   THR  51           HA       THR  51 -17.333  -1.184   6.580
  375    HB   THR  51           HB       THR  51 -20.122  -0.061   6.329
  376    HG1  THR  51           HG1      THR  51 -19.064   1.052   4.564
  377   HG21  THR  51          1HG2      THR  51 -19.346   1.429   7.879
  378   HG22  THR  51          2HG2      THR  51 -18.644   2.149   6.430
  379   HG23  THR  51          3HG2      THR  51 -17.655   1.133   7.478
  380    H    PHE  52           H        PHE  52 -16.717  -0.417   8.560
  381    HA   PHE  52           HA       PHE  52 -18.400  -1.234  10.834
  382    HB2  PHE  52          2HB       PHE  52 -15.417  -0.758  10.871
  383    HB3  PHE  52          3HB       PHE  52 -16.396  -1.501  12.131
  384    HD1  PHE  52           HD1      PHE  52 -18.055  -3.343  10.518
  385    HD2  PHE  52           HD2      PHE  52 -13.904  -2.423  10.297
  386    HE1  PHE  52           HE1      PHE  52 -17.619  -5.560   9.546
  387    HE2  PHE  52           HE2      PHE  52 -13.462  -4.640   9.324
  388    HZ   PHE  52           HZ       PHE  52 -15.320  -6.212   8.947
  389    H    THR  53           H        THR  53 -18.734   0.171  12.543
  390    HA   THR  53           HA       THR  53 -18.011   2.979  12.011
  391    HB   THR  53           HB       THR  53 -20.371   2.821  11.872
  392    HG1  THR  53           HG1      THR  53 -20.195   4.580  13.070
  393   HG21  THR  53          1HG2      THR  53 -20.661   0.617  12.879
  394   HG22  THR  53          2HG2      THR  53 -21.757   1.785  13.618
  395   HG23  THR  53          3HG2      THR  53 -20.298   1.285  14.471
  396    H    VAL  54           H        VAL  54 -16.858   4.049  13.495
  397    HA   VAL  54           HA       VAL  54 -16.700   2.966  16.223
  398    HB   VAL  54           HB       VAL  54 -14.327   3.858  14.577
  399   HG11  VAL  54          1HG1      VAL  54 -13.277   2.722  16.785
  400   HG12  VAL  54          2HG1      VAL  54 -13.564   4.454  16.615
  401   HG13  VAL  54          3HG1      VAL  54 -14.733   3.445  17.466
  402   HG21  VAL  54          1HG2      VAL  54 -13.599   1.591  14.619
  403   HG22  VAL  54          2HG2      VAL  54 -14.893   1.130  15.725
  404   HG23  VAL  54          3HG2      VAL  54 -15.273   1.588  14.064
  405    H    THR  55           H        THR  55 -16.409   4.470  17.849
  406    HA   THR  55           HA       THR  55 -16.066   7.277  17.143
  407    HB   THR  55           HB       THR  55 -18.032   7.970  18.484
  408    HG1  THR  55           HG1      THR  55 -18.507   5.164  18.518
  409   HG21  THR  55          1HG2      THR  55 -18.208   7.843  16.048
  410   HG22  THR  55          2HG2      THR  55 -19.736   7.402  16.811
  411   HG23  THR  55          3HG2      THR  55 -18.679   6.148  16.164
  412    H    GLU  56           H        GLU  56 -15.150   8.493  18.747
  413    HA   GLU  56           HA       GLU  56 -13.977   7.043  20.943
  414    HB2  GLU  56          2HB       GLU  56 -12.853   8.878  19.561
  415    HB3  GLU  56          3HB       GLU  56 -13.820  10.017  20.487
  416    HG2  GLU  56          2HG       GLU  56 -12.793   8.770  22.538
  417    HG3  GLU  56          3HG       GLU  56 -11.563   8.288  21.371
  Start of MODEL    3
    1    H1   MET   1           H        MET   1 -10.595 -10.744   3.425
    2    HA   MET   1           HA       MET   1 -12.538 -10.232   1.291
    3    HB2  MET   1          2HB       MET   1 -13.442 -11.462   3.448
    4    HB3  MET   1          3HB       MET   1 -13.411  -9.836   4.119
    5    HG2  MET   1          2HG       MET   1 -15.587 -10.158   3.304
    6    HG3  MET   1          3HG       MET   1 -14.780  -9.118   2.132
    7    HE1  MET   1          1HE       MET   1 -17.113 -12.305   2.253
    8    HE2  MET   1          2HE       MET   1 -15.961 -13.503   1.662
    9    HE3  MET   1          3HE       MET   1 -15.634 -12.627   3.157
   10    H    THR   2           H        THR   2 -13.386  -8.032   1.311
   11    HA   THR   2           HA       THR   2 -11.413  -6.151   2.417
   12    HB   THR   2           HB       THR   2 -13.271  -5.849   0.052
   13    HG1  THR   2           HG1      THR   2 -11.575  -6.437  -1.067
   14   HG21  THR   2          1HG2      THR   2 -13.050  -3.714   1.197
   15   HG22  THR   2          2HG2      THR   2 -12.139  -3.687  -0.312
   16   HG23  THR   2          3HG2      THR   2 -11.296  -3.887   1.223
   17    H    PHE   3           H        PHE   3 -12.028  -4.500   3.717
   18    HA   PHE   3           HA       PHE   3 -14.854  -3.878   4.040
   19    HB2  PHE   3          2HB       PHE   3 -13.102  -4.986   6.226
   20    HB3  PHE   3          3HB       PHE   3 -14.518  -4.002   6.583
   21    HD1  PHE   3           HD1      PHE   3 -13.304  -7.261   5.706
   22    HD2  PHE   3           HD2      PHE   3 -16.772  -4.796   5.809
   23    HE1  PHE   3           HE1      PHE   3 -14.727  -9.262   5.546
   24    HE2  PHE   3           HE2      PHE   3 -18.200  -6.793   5.649
   25    HZ   PHE   3           HZ       PHE   3 -17.178  -9.030   5.518
   26    H    LYS   4           H        LYS   4 -15.232  -1.895   5.206
   27    HA   LYS   4           HA       LYS   4 -12.859  -0.149   5.316
   28    HB2  LYS   4          2HB       LYS   4 -13.982   0.696   3.471
   29    HB3  LYS   4          3HB       LYS   4 -15.567   0.308   4.127
   30    HG2  LYS   4          2HG       LYS   4 -15.660   2.213   5.400
   31    HG3  LYS   4          3HG       LYS   4 -13.905   2.368   5.492
   32    HD2  LYS   4          2HD       LYS   4 -14.995   2.564   2.778
   33    HD3  LYS   4          3HD       LYS   4 -15.527   3.845   3.868
   34    HE2  LYS   4          2HE       LYS   4 -13.542   4.843   3.768
   35    HE3  LYS   4          3HE       LYS   4 -12.708   3.347   4.181
   36    HZ1  LYS   4          1HZ       LYS   4 -11.879   3.735   2.109
   37    HZ2  LYS   4          2HZ       LYS   4 -13.286   4.482   1.544
   38    HZ3  LYS   4          3HZ       LYS   4 -13.225   2.798   1.691
   39    H    ALA   5           H        ALA   5 -12.452   0.140   7.418
   40    HA   ALA   5           HA       ALA   5 -14.680   0.464   9.290
   41    HB1  ALA   5          1HB       ALA   5 -13.395  -0.707  10.665
   42    HB2  ALA   5          2HB       ALA   5 -12.104  -0.730   9.463
   43    HB3  ALA   5          3HB       ALA   5 -12.192   0.584  10.636
   44    H    ILE   6           H        ILE   6 -15.329   2.427   9.848
   45    HA   ILE   6           HA       ILE   6 -13.581   4.714   9.334
   46    HB   ILE   6           HB       ILE   6 -16.535   4.519   9.901
   47   HG12  ILE   6          2HG1      ILE   6 -16.485   5.794   7.627
   48   HG13  ILE   6          3HG1      ILE   6 -14.838   5.180   7.511
   49   HG21  ILE   6          1HG2      ILE   6 -16.497   7.023   9.481
   50   HG22  ILE   6          2HG2      ILE   6 -15.896   6.473  11.045
   51   HG23  ILE   6          3HG2      ILE   6 -14.760   6.941   9.779
   52   HD11  ILE   6          1HD1      ILE   6 -17.015   3.259   8.126
   53   HD12  ILE   6          2HD1      ILE   6 -16.870   3.878   6.481
   54   HD13  ILE   6          3HD1      ILE   6 -15.517   3.026   7.226
   55    H    ILE   7           H        ILE   7 -12.927   6.137  10.896
   56    HA   ILE   7           HA       ILE   7 -13.579   5.425  13.681
   57    HB   ILE   7           HB       ILE   7 -11.218   6.569  14.062
   58   HG12  ILE   7          2HG1      ILE   7 -10.570   5.123  11.533
   59   HG13  ILE   7          3HG1      ILE   7 -11.178   6.772  11.414
   60   HG21  ILE   7          1HG2      ILE   7 -11.937   3.751  13.410
   61   HG22  ILE   7          2HG2      ILE   7 -10.248   4.163  13.701
   62   HG23  ILE   7          3HG2      ILE   7 -11.456   4.464  14.949
   63   HD11  ILE   7          1HD1      ILE   7  -8.816   6.882  11.404
   64   HD12  ILE   7          2HD1      ILE   7  -9.351   7.450  12.987
   65   HD13  ILE   7          3HD1      ILE   7  -8.694   5.823  12.810
   66    H    ASN   8           H        ASN   8 -13.936   7.081  15.125
   67    HA   ASN   8           HA       ASN   8 -13.590   9.837  14.287
   68    HB2  ASN   8          2HB       ASN   8 -15.926   8.829  13.560
   69    HB3  ASN   8          3HB       ASN   8 -16.330   9.132  15.248
   70   HD21  ASN   8          1HD2      ASN   8 -14.966  10.691  12.383
   71   HD22  ASN   8          2HD2      ASN   8 -15.605  12.261  12.718
   72    H    GLY   9           H        GLY   9 -13.686  11.335  16.007
   73    HA2  GLY   9          2HA       GLY   9 -13.921  10.152  18.696
   74    HA3  GLY   9          3HA       GLY   9 -12.515  11.115  18.271
   75    H    LYS  10           H        LYS  10 -13.531  12.146  20.330
   76    HA   LYS  10           HA       LYS  10 -15.838  13.648  20.313
   77    HB2  LYS  10          2HB       LYS  10 -13.234  13.841  21.724
   78    HB3  LYS  10          3HB       LYS  10 -14.260  15.269  21.763
   79    HG2  LYS  10          2HG       LYS  10 -16.091  13.490  22.451
   80    HG3  LYS  10          3HG       LYS  10 -14.666  12.601  22.994
   81    HD2  LYS  10          2HD       LYS  10 -15.125  15.474  23.747
   82    HD3  LYS  10          3HD       LYS  10 -15.819  14.146  24.680
   83    HE2  LYS  10          2HE       LYS  10 -13.367  13.242  24.659
   84    HE3  LYS  10          3HE       LYS  10 -12.956  14.920  24.309
   85    HZ1  LYS  10          1HZ       LYS  10 -14.649  14.128  26.609
   86    HZ2  LYS  10          2HZ       LYS  10 -13.914  15.625  26.329
   87    HZ3  LYS  10          3HZ       LYS  10 -12.967  14.278  26.718
   88    H    THR  11           H        THR  11 -12.595  14.689  19.278
   89    HA   THR  11           HA       THR  11 -13.857  16.634  17.489
   90    HB   THR  11           HB       THR  11 -11.942  18.246  18.151
   91    HG1  THR  11           HG1      THR  11 -11.854  16.311  20.170
   92   HG21  THR  11          1HG2      THR  11 -14.485  18.362  18.665
   93   HG22  THR  11          2HG2      THR  11 -13.379  19.402  19.564
   94   HG23  THR  11          3HG2      THR  11 -14.000  17.927  20.304
   95    H    LEU  12           H        LEU  12 -12.464  14.043  17.164
   96    HA   LEU  12           HA       LEU  12 -10.210  14.959  15.499
   97    HB2  LEU  12          2HB       LEU  12  -9.889  13.355  17.559
   98    HB3  LEU  12          3HB       LEU  12 -10.441  12.132  16.415
   99    HG   LEU  12           HG       LEU  12  -8.208  13.898  15.569
  100   HD11  LEU  12          1HD1      LEU  12  -8.038  12.779  18.053
  101   HD12  LEU  12          2HD1      LEU  12  -6.668  13.167  17.013
  102   HD13  LEU  12          3HD1      LEU  12  -7.326  11.530  17.033
  103   HD21  LEU  12          1HD2      LEU  12  -7.723  11.173  15.100
  104   HD22  LEU  12          2HD2      LEU  12  -8.227  12.397  13.934
  105   HD23  LEU  12          3HD2      LEU  12  -9.439  11.432  14.779
  106    H    LYS  13           H        LYS  13  -9.861  13.834  13.501
  107    HA   LYS  13           HA       LYS  13 -12.355  12.744  12.383
  108    HB2  LYS  13          2HB       LYS  13 -10.295  14.573  11.352
  109    HB3  LYS  13          3HB       LYS  13 -10.789  13.326  10.214
  110    HG2  LYS  13          2HG       LYS  13 -12.943  14.115  10.072
  111    HG3  LYS  13          3HG       LYS  13 -12.873  14.903  11.649
  112    HD2  LYS  13          2HD       LYS  13 -12.666  16.765  10.378
  113    HD3  LYS  13          3HD       LYS  13 -10.965  16.292  10.368
  114    HE2  LYS  13          2HE       LYS  13 -11.360  15.078   8.249
  115    HE3  LYS  13          3HE       LYS  13 -13.021  15.665   8.252
  116    HZ1  LYS  13          1HZ       LYS  13 -10.877  16.922   7.135
  117    HZ2  LYS  13          2HZ       LYS  13 -11.121  17.776   8.574
  118    HZ3  LYS  13          3HZ       LYS  13 -12.382  17.625   7.457
  119    H    GLY  14           H        GLY  14 -12.354  10.825  11.262
  120    HA2  GLY  14          2HA       GLY  14  -9.815   9.431  10.861
  121    HA3  GLY  14          3HA       GLY  14 -10.987   8.672  11.929
  122    H    GLU  15           H        GLU  15  -9.847   7.874   9.277
  123    HA   GLU  15           HA       GLU  15 -12.134   6.666   8.204
  124    HB2  GLU  15          2HB       GLU  15 -12.152   7.905   5.989
  125    HB3  GLU  15          3HB       GLU  15 -12.859   8.750   7.358
  126    HG2  GLU  15          2HG       GLU  15  -9.996   9.245   6.842
  127    HG3  GLU  15          3HG       GLU  15 -11.138   9.881   5.658
  128    H    THR  16           H        THR  16 -11.357   4.853   7.378
  129    HA   THR  16           HA       THR  16  -9.306   4.787   5.411
  130    HB   THR  16           HB       THR  16  -7.880   5.117   7.405
  131    HG1  THR  16           HG1      THR  16  -6.732   3.976   6.000
  132   HG21  THR  16          1HG2      THR  16  -8.323   2.403   8.430
  133   HG22  THR  16          2HG2      THR  16  -9.664   3.515   8.708
  134   HG23  THR  16          3HG2      THR  16  -8.051   3.913   9.299
  135    H    THR  17           H        THR  17  -8.744   2.523   4.793
  136    HA   THR  17           HA       THR  17 -11.064   0.773   5.258
  137    HB   THR  17           HB       THR  17  -9.890  -0.370   3.124
  138    HG1  THR  17           HG1      THR  17  -8.660   0.984   2.046
  139   HG21  THR  17          1HG2      THR  17 -11.396   1.573   1.894
  140   HG22  THR  17          2HG2      THR  17 -12.044   1.560   3.535
  141   HG23  THR  17          3HG2      THR  17 -12.021   0.076   2.583
  142    H    THR  18           H        THR  18 -10.535  -1.617   5.001
  143    HA   THR  18           HA       THR  18  -7.927  -2.564   5.577
  144    HB   THR  18           HB       THR  18  -8.322  -1.593   7.778
  145    HG1  THR  18           HG1      THR  18  -8.681  -4.389   8.076
  146   HG21  THR  18          1HG2      THR  18 -10.968  -2.369   7.360
  147   HG22  THR  18          2HG2      THR  18 -10.295  -1.644   8.820
  148   HG23  THR  18          3HG2      THR  18 -10.398  -3.397   8.674
  149    H    GLU  19           H        GLU  19  -7.846  -4.595   4.868
  150    HA   GLU  19           HA       GLU  19 -10.303  -5.985   4.246
  151    HB2  GLU  19          2HB       GLU  19  -7.397  -6.642   3.760
  152    HB3  GLU  19          3HB       GLU  19  -8.715  -7.708   3.295
  153    HG2  GLU  19          2HG       GLU  19  -8.513  -6.624   1.338
  154    HG3  GLU  19          3HG       GLU  19  -9.560  -5.452   2.138
  155    H    ALA  20           H        ALA  20 -11.105  -7.773   5.222
  156    HA   ALA  20           HA       ALA  20  -9.558  -8.955   7.427
  157    HB1  ALA  20          1HB       ALA  20 -11.768  -9.145   8.668
  158    HB2  ALA  20          2HB       ALA  20 -11.045  -7.538   8.571
  159    HB3  ALA  20          3HB       ALA  20 -12.393  -7.964   7.516
  160    H    VAL  21           H        VAL  21 -10.397 -11.094   8.102
  161    HA   VAL  21           HA       VAL  21 -11.660 -12.520   5.850
  162    HB   VAL  21           HB       VAL  21  -9.284 -13.085   5.979
  163   HG11  VAL  21          1HG1      VAL  21  -8.951 -12.615   8.363
  164   HG12  VAL  21          2HG1      VAL  21  -9.891 -14.052   8.772
  165   HG13  VAL  21          3HG1      VAL  21  -8.353 -14.214   7.922
  166   HG21  VAL  21          1HG2      VAL  21 -11.350 -14.820   5.740
  167   HG22  VAL  21          2HG2      VAL  21  -9.657 -15.254   5.504
  168   HG23  VAL  21          3HG2      VAL  21 -10.440 -15.564   7.054
  169    H    ASP  22           H        ASP  22 -11.273 -12.242   9.327
  170    HA   ASP  22           HA       ASP  22 -13.740 -13.807   9.660
  171    HB2  ASP  22          2HB       ASP  22 -11.127 -14.118  11.093
  172    HB3  ASP  22          3HB       ASP  22 -12.629 -14.480  11.939
  173    H    ALA  23           H        ALA  23 -14.628 -13.457  11.968
  174    HA   ALA  23           HA       ALA  23 -15.223 -10.720  12.262
  175    HB1  ALA  23          1HB       ALA  23 -15.673 -13.047  14.122
  176    HB2  ALA  23          2HB       ALA  23 -16.322 -11.428  14.387
  177    HB3  ALA  23          3HB       ALA  23 -16.816 -12.355  12.971
  178    H    ALA  24           H        ALA  24 -12.747 -12.736  13.628
  179    HA   ALA  24           HA       ALA  24 -12.061 -10.824  15.700
  180    HB1  ALA  24          1HB       ALA  24 -10.084 -12.479  15.966
  181    HB2  ALA  24          2HB       ALA  24 -11.706 -12.988  16.438
  182    HB3  ALA  24          3HB       ALA  24 -11.030 -13.514  14.896
  183    H    THR  25           H        THR  25 -11.135 -11.584  12.457
  184    HA   THR  25           HA       THR  25  -8.531 -10.518  12.431
  185    HB   THR  25           HB       THR  25 -10.485 -10.522  10.125
  186    HG1  THR  25           HG1      THR  25  -9.840 -12.599  11.414
  187   HG21  THR  25          1HG2      THR  25  -8.702 -10.202   8.722
  188   HG22  THR  25          2HG2      THR  25  -7.550 -10.934   9.838
  189   HG23  THR  25          3HG2      THR  25  -8.140  -9.297  10.126
  190    H    ALA  26           H        ALA  26 -11.696  -9.029  11.934
  191    HA   ALA  26           HA       ALA  26 -10.564  -6.446  11.323
  192    HB1  ALA  26          1HB       ALA  26 -13.357  -7.479  11.667
  193    HB2  ALA  26          2HB       ALA  26 -13.029  -5.750  11.546
  194    HB3  ALA  26          3HB       ALA  26 -12.582  -6.827  10.223
  195    H    GLU  27           H        GLU  27 -11.530  -8.170  14.140
  196    HA   GLU  27           HA       GLU  27 -11.898  -5.818  15.777
  197    HB2  GLU  27          2HB       GLU  27 -13.221  -7.698  16.384
  198    HB3  GLU  27          3HB       GLU  27 -11.828  -8.771  16.375
  199    HG2  GLU  27          2HG       GLU  27 -11.105  -8.086  18.426
  200    HG3  GLU  27          3HG       GLU  27 -11.821  -6.483  18.267
  201    H    LYS  28           H        LYS  28  -9.416  -8.275  15.266
  202    HA   LYS  28           HA       LYS  28  -7.687  -7.340  17.331
  203    HB2  LYS  28          2HB       LYS  28  -6.018  -8.822  16.321
  204    HB3  LYS  28          3HB       LYS  28  -7.565  -9.638  16.501
  205    HG2  LYS  28          2HG       LYS  28  -7.106 -10.289  14.391
  206    HG3  LYS  28          3HG       LYS  28  -7.859  -8.739  14.007
  207    HD2  LYS  28          2HD       LYS  28  -5.971  -8.002  13.093
  208    HD3  LYS  28          3HD       LYS  28  -5.076  -8.348  14.573
  209    HE2  LYS  28          2HE       LYS  28  -3.967  -9.806  13.266
  210    HE3  LYS  28          3HE       LYS  28  -5.360 -10.842  13.570
  211    HZ1  LYS  28          1HZ       LYS  28  -4.469 -10.192  11.134
  212    HZ2  LYS  28          2HZ       LYS  28  -5.659  -9.010  11.350
  213    HZ3  LYS  28          3HZ       LYS  28  -6.065 -10.648  11.466
  214    H    VAL  29           H        VAL  29  -7.968  -6.736  13.870
  215    HA   VAL  29           HA       VAL  29  -5.586  -5.364  13.435
  216    HB   VAL  29           HB       VAL  29  -7.322  -6.071  11.708
  217   HG11  VAL  29          1HG1      VAL  29  -9.012  -4.477  13.083
  218   HG12  VAL  29          2HG1      VAL  29  -8.499  -3.373  11.805
  219   HG13  VAL  29          3HG1      VAL  29  -9.236  -4.923  11.391
  220   HG21  VAL  29          1HG2      VAL  29  -5.429  -3.941  11.728
  221   HG22  VAL  29          2HG2      VAL  29  -5.911  -4.979  10.386
  222   HG23  VAL  29          3HG2      VAL  29  -6.789  -3.482  10.702
  223    H    PHE  30           H        PHE  30  -8.421  -4.404  15.150
  224    HA   PHE  30           HA       PHE  30  -7.938  -1.580  15.007
  225    HB2  PHE  30          2HB       PHE  30  -9.852  -3.356  16.444
  226    HB3  PHE  30          3HB       PHE  30  -9.592  -1.737  17.087
  227    HD1  PHE  30           HD1      PHE  30  -9.552   0.108  15.082
  228    HD2  PHE  30           HD2      PHE  30 -11.668  -3.584  15.082
  229    HE1  PHE  30           HE1      PHE  30 -11.132   1.019  13.431
  230    HE2  PHE  30           HE2      PHE  30 -13.251  -2.681  13.430
  231    HZ   PHE  30           HZ       PHE  30 -12.985  -0.376  12.601
  232    H    LYS  31           H        LYS  31  -6.834  -4.185  16.970
  233    HA   LYS  31           HA       LYS  31  -6.117  -2.707  19.284
  234    HB2  LYS  31          2HB       LYS  31  -4.746  -5.214  18.325
  235    HB3  LYS  31          3HB       LYS  31  -4.936  -4.648  19.979
  236    HG2  LYS  31          2HG       LYS  31  -7.330  -5.068  19.866
  237    HG3  LYS  31          3HG       LYS  31  -7.165  -5.600  18.191
  238    HD2  LYS  31          2HD       LYS  31  -6.007  -7.536  18.796
  239    HD3  LYS  31          3HD       LYS  31  -5.593  -6.901  20.390
  240    HE2  LYS  31          2HE       LYS  31  -7.745  -7.257  21.220
  241    HE3  LYS  31          3HE       LYS  31  -8.448  -7.374  19.608
  242    HZ1  LYS  31          1HZ       LYS  31  -7.037  -9.398  21.171
  243    HZ2  LYS  31          2HZ       LYS  31  -6.819  -9.426  19.495
  244    HZ3  LYS  31          3HZ       LYS  31  -8.374  -9.561  20.146
  245    H    GLN  32           H        GLN  32  -4.070  -4.014  16.665
  246    HA   GLN  32           HA       GLN  32  -1.763  -2.580  17.459
  247    HB2  GLN  32          2HB       GLN  32  -2.105  -4.666  15.854
  248    HB3  GLN  32          3HB       GLN  32  -2.124  -3.415  14.619
  249    HG2  GLN  32          2HG       GLN  32   0.063  -2.607  15.554
  250    HG3  GLN  32          3HG       GLN  32   0.088  -4.066  16.544
  251   HE21  GLN  32          1HE2      GLN  32   2.164  -4.137  15.202
  252   HE22  GLN  32          2HE2      GLN  32   2.075  -5.035  13.729
  253    H    TYR  33           H        TYR  33  -4.570  -1.656  15.759
  254    HA   TYR  33           HA       TYR  33  -3.324   0.531  14.329
  255    HB2  TYR  33          2HB       TYR  33  -6.057  -0.630  14.506
  256    HB3  TYR  33          3HB       TYR  33  -5.929   1.067  14.057
  257    HD1  TYR  33           HD1      TYR  33  -3.639  -1.734  13.190
  258    HD2  TYR  33           HD2      TYR  33  -6.507   1.082  11.792
  259    HE1  TYR  33           HE1      TYR  33  -3.145  -2.390  10.871
  260    HE2  TYR  33           HE2      TYR  33  -6.021   0.433   9.470
  261    HH   TYR  33           HH       TYR  33  -4.684  -0.753   8.131
  262    H    PHE  34           H        PHE  34  -5.653   0.187  16.999
  263    HA   PHE  34           HA       PHE  34  -5.944   2.898  17.587
  264    HB2  PHE  34          2HB       PHE  34  -6.402   0.355  19.046
  265    HB3  PHE  34          3HB       PHE  34  -6.303   1.816  20.021
  266    HD1  PHE  34           HD1      PHE  34  -8.562  -0.299  18.692
  267    HD2  PHE  34           HD2      PHE  34  -7.637   3.855  18.643
  268    HE1  PHE  34           HE1      PHE  34 -10.907   0.214  18.150
  269    HE2  PHE  34           HE2      PHE  34  -9.980   4.375  18.102
  270    HZ   PHE  34           HZ       PHE  34 -11.618   2.553  17.854
  271    H    ASN  35           H        ASN  35  -3.354   0.711  18.260
  272    HA   ASN  35           HA       ASN  35  -2.156   1.970  20.452
  273    HB2  ASN  35          2HB       ASN  35  -1.576  -0.282  19.333
  274    HB3  ASN  35          3HB       ASN  35  -0.571   0.673  18.246
  275   HD21  ASN  35          1HD2      ASN  35  -1.226   0.780  21.732
  276   HD22  ASN  35          2HD2      ASN  35   0.432   0.719  22.217
  277    H    ASP  36           H        ASP  36  -2.402   2.941  17.171
  278    HA   ASP  36           HA       ASP  36  -0.112   4.657  17.122
  279    HB2  ASP  36          2HB       ASP  36  -1.382   3.640  15.119
  280    HB3  ASP  36          3HB       ASP  36  -2.524   4.962  15.346
  281    H    ASN  37           H        ASN  37  -3.584   5.136  17.651
  282    HA   ASN  37           HA       ASN  37  -3.230   7.969  18.123
  283    HB2  ASN  37          2HB       ASN  37  -5.755   6.466  18.735
  284    HB3  ASN  37          3HB       ASN  37  -5.559   8.124  18.173
  285   HD21  ASN  37          1HD2      ASN  37  -5.450   4.755  17.243
  286   HD22  ASN  37          2HD2      ASN  37  -5.657   5.017  15.548
  287    H    GLY  38           H        GLY  38  -3.238   5.065  19.955
  288    HA2  GLY  38          2HA       GLY  38  -2.709   4.754  22.183
  289    HA3  GLY  38          3HA       GLY  38  -2.598   6.499  22.359
  290    H    LEU  39           H        LEU  39  -5.497   5.292  20.983
  291    HA   LEU  39           HA       LEU  39  -6.875   5.686  23.558
  292    HB2  LEU  39          2HB       LEU  39  -7.519   6.582  20.796
  293    HB3  LEU  39          3HB       LEU  39  -8.852   6.177  21.875
  294    HG   LEU  39           HG       LEU  39  -7.733   7.840  23.507
  295   HD11  LEU  39          1HD1      LEU  39  -6.261   8.334  20.968
  296   HD12  LEU  39          2HD1      LEU  39  -5.690   8.390  22.635
  297   HD13  LEU  39          3HD1      LEU  39  -6.675   9.706  21.995
  298   HD21  LEU  39          1HD2      LEU  39  -9.874   8.076  22.107
  299   HD22  LEU  39          2HD2      LEU  39  -8.899   9.089  21.043
  300   HD23  LEU  39          3HD2      LEU  39  -9.122   9.544  22.734
  301    H    ASP  40           H        ASP  40  -9.161   4.656  23.462
  302    HA   ASP  40           HA       ASP  40  -9.148   2.115  22.012
  303    HB2  ASP  40          2HB       ASP  40  -9.959   1.036  24.224
  304    HB3  ASP  40          3HB       ASP  40  -8.234   1.321  24.010
  305    H    GLY  41           H        GLY  41 -11.243   1.067  21.950
  306    HA2  GLY  41          2HA       GLY  41 -13.582   2.231  23.022
  307    HA3  GLY  41          3HA       GLY  41 -13.343   2.820  21.384
  308    H    GLU  42           H        GLU  42 -15.344   1.768  20.848
  309    HA   GLU  42           HA       GLU  42 -15.058  -1.150  20.543
  310    HB2  GLU  42          2HB       GLU  42 -17.520   0.531  21.002
  311    HB3  GLU  42          3HB       GLU  42 -17.601  -1.131  20.432
  312    HG2  GLU  42          2HG       GLU  42 -15.919  -0.901  22.767
  313    HG3  GLU  42          3HG       GLU  42 -17.537  -0.265  23.065
  314    H    TRP  43           H        TRP  43 -16.007  -2.089  18.626
  315    HA   TRP  43           HA       TRP  43 -16.288  -0.195  16.390
  316    HB2  TRP  43          2HB       TRP  43 -14.930  -1.523  14.972
  317    HB3  TRP  43          3HB       TRP  43 -14.035  -1.380  16.483
  318    HD1  TRP  43           HD1      TRP  43 -14.274  -3.608  18.173
  319    HE1  TRP  43           HE1      TRP  43 -14.331  -6.097  17.521
  320    HE3  TRP  43           HE3      TRP  43 -15.574  -3.128  13.252
  321    HZ2  TRP  43           HZ2      TRP  43 -14.856  -7.652  15.224
  322    HZ3  TRP  43           HZ3      TRP  43 -15.832  -5.166  11.897
  323    HH2  TRP  43           HH2      TRP  43 -15.480  -7.379  12.864
  324    H    THR  44           H        THR  44 -17.925  -0.588  14.999
  325    HA   THR  44           HA       THR  44 -19.800  -2.684  15.711
  326    HB   THR  44           HB       THR  44 -20.164  -0.757  13.432
  327    HG1  THR  44           HG1      THR  44 -21.024  -0.166  16.056
  328   HG21  THR  44          1HG2      THR  44 -22.007  -2.258  15.282
  329   HG22  THR  44          2HG2      THR  44 -21.859  -2.416  13.532
  330   HG23  THR  44          3HG2      THR  44 -22.556  -0.953  14.230
  331    H    TYR  45           H        TYR  45 -20.797  -4.039  14.038
  332    HA   TYR  45           HA       TYR  45 -18.924  -4.705  11.864
  333    HB2  TYR  45          2HB       TYR  45 -19.822  -7.114  12.243
  334    HB3  TYR  45          3HB       TYR  45 -18.585  -6.488  13.326
  335    HD1  TYR  45           HD1      TYR  45 -22.020  -7.632  13.034
  336    HD2  TYR  45           HD2      TYR  45 -19.192  -5.780  15.618
  337    HE1  TYR  45           HE1      TYR  45 -23.475  -8.110  14.959
  338    HE2  TYR  45           HE2      TYR  45 -20.638  -6.254  17.551
  339    HH   TYR  45           HH       TYR  45 -23.042  -8.427  17.559
  340    H    ASP  46           H        ASP  46 -20.016  -3.816  10.183
  341    HA   ASP  46           HA       ASP  46 -22.786  -4.727   9.754
  342    HB2  ASP  46          2HB       ASP  46 -21.640  -2.308   8.397
  343    HB3  ASP  46          3HB       ASP  46 -23.324  -2.698   8.735
  344    H    ASP  47           H        ASP  47 -22.259  -6.604   8.644
  345    HA   ASP  47           HA       ASP  47 -20.446  -6.594   6.423
  346    HB2  ASP  47          2HB       ASP  47 -21.483  -8.550   8.047
  347    HB3  ASP  47          3HB       ASP  47 -22.380  -8.799   6.551
  348    H    ALA  48           H        ALA  48 -23.821  -6.006   6.866
  349    HA   ALA  48           HA       ALA  48 -24.859  -6.618   4.365
  350    HB1  ALA  48          1HB       ALA  48 -26.248  -5.974   6.262
  351    HB2  ALA  48          2HB       ALA  48 -25.626  -4.326   6.168
  352    HB3  ALA  48          3HB       ALA  48 -26.602  -4.976   4.851
  353    H    THR  49           H        THR  49 -22.859  -3.947   5.372
  354    HA   THR  49           HA       THR  49 -22.892  -2.939   2.602
  355    HB   THR  49           HB       THR  49 -22.805  -0.704   3.289
  356    HG1  THR  49           HG1      THR  49 -22.633  -0.345   5.726
  357   HG21  THR  49          1HG2      THR  49 -25.033  -1.655   3.625
  358   HG22  THR  49          2HG2      THR  49 -24.703  -0.394   4.812
  359   HG23  THR  49          3HG2      THR  49 -24.606  -2.091   5.278
  360    H    LYS  50           H        LYS  50 -21.093  -4.379   4.975
  361    HA   LYS  50           HA       LYS  50 -18.877  -4.836   5.213
  362    HB2  LYS  50          2HB       LYS  50 -18.493  -3.468   2.548
  363    HB3  LYS  50          3HB       LYS  50 -17.434  -4.655   3.299
  364    HG2  LYS  50          2HG       LYS  50 -18.480  -6.124   1.987
  365    HG3  LYS  50          3HG       LYS  50 -19.787  -6.021   3.169
  366    HD2  LYS  50          2HD       LYS  50 -21.063  -4.634   1.830
  367    HD3  LYS  50          3HD       LYS  50 -19.665  -4.054   0.922
  368    HE2  LYS  50          2HE       LYS  50 -19.476  -6.180  -0.213
  369    HE3  LYS  50          3HE       LYS  50 -20.781  -6.852   0.764
  370    HZ1  LYS  50          1HZ       LYS  50 -22.319  -5.327  -0.240
  371    HZ2  LYS  50          2HZ       LYS  50 -21.507  -6.167  -1.463
  372    HZ3  LYS  50          3HZ       LYS  50 -21.082  -4.568  -1.109
  373    H    THR  51           H        THR  51 -19.676  -2.706   6.620
  374    HA   THR  51           HA       THR  51 -17.294  -1.023   6.606
  375    HB   THR  51           HB       THR  51 -20.099   0.087   6.443
  376    HG1  THR  51           HG1      THR  51 -19.049   1.269   4.685
  377   HG21  THR  51          1HG2      THR  51 -19.291   1.566   7.975
  378   HG22  THR  51          2HG2      THR  51 -18.579   2.288   6.532
  379   HG23  THR  51          3HG2      THR  51 -17.607   1.238   7.564
  380    H    PHE  52           H        PHE  52 -16.690  -0.313   8.613
  381    HA   PHE  52           HA       PHE  52 -18.393  -1.177  10.857
  382    HB2  PHE  52          2HB       PHE  52 -15.388  -0.885  10.922
  383    HB3  PHE  52          3HB       PHE  52 -16.419  -1.639  12.134
  384    HD1  PHE  52           HD1      PHE  52 -18.150  -3.340  10.512
  385    HD2  PHE  52           HD2      PHE  52 -13.982  -2.555  10.163
  386    HE1  PHE  52           HE1      PHE  52 -17.834  -5.524   9.424
  387    HE2  PHE  52           HE2      PHE  52 -13.659  -4.736   9.073
  388    HZ   PHE  52           HZ       PHE  52 -15.586  -6.223   8.701
  389    H    THR  53           H        THR  53 -19.122   0.363  12.159
  390    HA   THR  53           HA       THR  53 -18.059   3.070  11.882
  391    HB   THR  53           HB       THR  53 -20.054   3.868  12.873
  392    HG1  THR  53           HG1      THR  53 -21.560   2.353  13.840
  393   HG21  THR  53          1HG2      THR  53 -20.749   1.460  11.185
  394   HG22  THR  53          2HG2      THR  53 -20.390   3.084  10.596
  395   HG23  THR  53          3HG2      THR  53 -21.841   2.793  11.554
  396    H    VAL  54           H        VAL  54 -16.933   4.098  13.424
  397    HA   VAL  54           HA       VAL  54 -16.831   2.928  16.119
  398    HB   VAL  54           HB       VAL  54 -14.417   3.835  14.544
  399   HG11  VAL  54          1HG1      VAL  54 -13.641   4.308  16.601
  400   HG12  VAL  54          2HG1      VAL  54 -14.887   3.351  17.403
  401   HG13  VAL  54          3HG1      VAL  54 -13.457   2.560  16.737
  402   HG21  VAL  54          1HG2      VAL  54 -14.961   1.071  15.590
  403   HG22  VAL  54          2HG2      VAL  54 -15.466   1.581  13.979
  404   HG23  VAL  54          3HG2      VAL  54 -13.756   1.584  14.408
  405    H    THR  55           H        THR  55 -16.507   4.378  17.796
  406    HA   THR  55           HA       THR  55 -16.049   7.182  17.219
  407    HB   THR  55           HB       THR  55 -18.503   6.619  18.830
  408    HG1  THR  55           HG1      THR  55 -19.643   6.940  16.729
  409   HG21  THR  55          1HG2      THR  55 -18.943   8.826  17.278
  410   HG22  THR  55          2HG2      THR  55 -17.199   8.898  17.526
  411   HG23  THR  55          3HG2      THR  55 -18.287   8.855  18.914
  412    H    GLU  56           H        GLU  56 -14.332   7.340  18.562
  413    HA   GLU  56           HA       GLU  56 -13.147   7.519  20.496
  414    HB2  GLU  56          2HB       GLU  56 -15.461   8.640  21.099
  415    HB3  GLU  56          3HB       GLU  56 -15.622   7.235  22.143
  416    HG2  GLU  56          2HG       GLU  56 -13.215   7.939  22.919
  417    HG3  GLU  56          3HG       GLU  56 -13.722   9.512  22.306
  Start of MODEL    4
    1    H1   MET   1           H        MET   1 -10.217 -10.931   3.180
    2    HA   MET   1           HA       MET   1 -12.066 -10.473   0.992
    3    HB2  MET   1          2HB       MET   1 -13.033 -11.747   3.232
    4    HB3  MET   1          3HB       MET   1 -13.394 -10.059   3.570
    5    HG2  MET   1          2HG       MET   1 -14.898  -9.892   1.873
    6    HG3  MET   1          3HG       MET   1 -14.086 -11.105   0.886
    7    HE1  MET   1          1HE       MET   1 -16.531 -11.911   0.252
    8    HE2  MET   1          2HE       MET   1 -15.367 -13.231   0.356
    9    HE3  MET   1          3HE       MET   1 -16.986 -13.427   1.030
   10    H    THR   2           H        THR   2 -12.941  -8.301   0.986
   11    HA   THR   2           HA       THR   2 -11.110  -6.420   2.284
   12    HB   THR   2           HB       THR   2 -11.441  -6.325  -0.204
   13    HG1  THR   2           HG1      THR   2 -12.195  -4.021   1.301
   14   HG21  THR   2          1HG2      THR   2 -14.126  -5.130   0.471
   15   HG22  THR   2          2HG2      THR   2 -13.914  -6.793  -0.080
   16   HG23  THR   2          3HG2      THR   2 -13.457  -5.451  -1.127
   17    H    PHE   3           H        PHE   3 -11.792  -4.763   3.590
   18    HA   PHE   3           HA       PHE   3 -14.639  -4.401   4.075
   19    HB2  PHE   3          2HB       PHE   3 -12.704  -5.525   6.056
   20    HB3  PHE   3          3HB       PHE   3 -13.977  -4.453   6.633
   21    HD1  PHE   3           HD1      PHE   3 -13.206  -7.718   5.211
   22    HD2  PHE   3           HD2      PHE   3 -16.312  -5.111   6.505
   23    HE1  PHE   3           HE1      PHE   3 -14.782  -9.608   5.226
   24    HE2  PHE   3           HE2      PHE   3 -17.893  -6.996   6.523
   25    HZ   PHE   3           HZ       PHE   3 -17.128  -9.249   5.883
   26    H    LYS   4           H        LYS   4 -15.051  -2.530   5.538
   27    HA   LYS   4           HA       LYS   4 -12.879  -0.545   5.390
   28    HB2  LYS   4          2HB       LYS   4 -14.284   0.249   3.731
   29    HB3  LYS   4          3HB       LYS   4 -15.736  -0.333   4.535
   30    HG2  LYS   4          2HG       LYS   4 -15.577   2.115   4.525
   31    HG3  LYS   4          3HG       LYS   4 -15.602   1.448   6.159
   32    HD2  LYS   4          2HD       LYS   4 -13.608   2.329   6.630
   33    HD3  LYS   4          3HD       LYS   4 -12.899   1.677   5.151
   34    HE2  LYS   4          2HE       LYS   4 -14.707   4.005   4.869
   35    HE3  LYS   4          3HE       LYS   4 -13.138   4.297   5.619
   36    HZ1  LYS   4          1HZ       LYS   4 -13.496   2.947   3.001
   37    HZ2  LYS   4          2HZ       LYS   4 -12.039   3.447   3.698
   38    HZ3  LYS   4          3HZ       LYS   4 -13.165   4.597   3.174
   39    H    ALA   5           H        ALA   5 -12.379   0.359   7.274
   40    HA   ALA   5           HA       ALA   5 -14.369   0.254   9.447
   41    HB1  ALA   5          1HB       ALA   5 -11.538   0.392  10.224
   42    HB2  ALA   5          2HB       ALA   5 -12.859  -0.559  10.902
   43    HB3  ALA   5          3HB       ALA   5 -12.035  -1.109   9.443
   44    H    ILE   6           H        ILE   6 -15.077   2.206   9.975
   45    HA   ILE   6           HA       ILE   6 -13.427   4.549   9.401
   46    HB   ILE   6           HB       ILE   6 -16.338   4.245  10.115
   47   HG12  ILE   6          2HG1      ILE   6 -16.418   5.585   7.866
   48   HG13  ILE   6          3HG1      ILE   6 -14.779   4.980   7.660
   49   HG21  ILE   6          1HG2      ILE   6 -14.669   6.740   9.934
   50   HG22  ILE   6          2HG2      ILE   6 -16.423   6.749   9.764
   51   HG23  ILE   6          3HG2      ILE   6 -15.688   6.201  11.270
   52   HD11  ILE   6          1HD1      ILE   6 -15.534   2.723   7.698
   53   HD12  ILE   6          2HD1      ILE   6 -17.161   3.219   8.165
   54   HD13  ILE   6          3HD1      ILE   6 -16.544   3.617   6.562
   55    H    ILE   7           H        ILE   7 -12.742   5.990  10.935
   56    HA   ILE   7           HA       ILE   7 -13.212   5.238  13.747
   57    HB   ILE   7           HB       ILE   7 -10.859   6.508  13.946
   58   HG12  ILE   7          2HG1      ILE   7 -10.414   4.919  11.444
   59   HG13  ILE   7          3HG1      ILE   7 -10.947   6.592  11.325
   60   HG21  ILE   7          1HG2      ILE   7  -9.912   4.435  14.405
   61   HG22  ILE   7          2HG2      ILE   7 -11.635   4.157  14.648
   62   HG23  ILE   7          3HG2      ILE   7 -10.857   3.618  13.160
   63   HD11  ILE   7          1HD1      ILE   7  -8.864   6.743  13.100
   64   HD12  ILE   7          2HD1      ILE   7  -8.332   5.505  11.961
   65   HD13  ILE   7          3HD1      ILE   7  -8.788   7.105  11.376
   66    H    ASN   8           H        ASN   8 -13.696   6.840  15.171
   67    HA   ASN   8           HA       ASN   8 -13.385   9.625  14.415
   68    HB2  ASN   8          2HB       ASN   8 -16.111   8.436  14.982
   69    HB3  ASN   8          3HB       ASN   8 -15.767  10.154  14.805
   70   HD21  ASN   8          1HD2      ASN   8 -16.997   7.591  13.260
   71   HD22  ASN   8          2HD2      ASN   8 -16.679   8.033  11.619
   72    H    GLY   9           H        GLY   9 -13.353  11.025  16.160
   73    HA2  GLY   9          2HA       GLY   9 -13.684   9.774  18.817
   74    HA3  GLY   9          3HA       GLY   9 -12.300  10.789  18.440
   75    H    LYS  10           H        LYS  10 -13.035  12.005  20.335
   76    HA   LYS  10           HA       LYS  10 -15.504  13.387  20.353
   77    HB2  LYS  10          2HB       LYS  10 -14.453  14.776  22.123
   78    HB3  LYS  10          3HB       LYS  10 -14.285  13.049  22.412
   79    HG2  LYS  10          2HG       LYS  10 -11.987  13.192  21.446
   80    HG3  LYS  10          3HG       LYS  10 -12.179  14.946  21.405
   81    HD2  LYS  10          2HD       LYS  10 -11.032  14.482  23.412
   82    HD3  LYS  10          3HD       LYS  10 -12.703  14.798  23.885
   83    HE2  LYS  10          2HE       LYS  10 -13.144  12.510  24.230
   84    HE3  LYS  10          3HE       LYS  10 -11.683  12.018  23.374
   85    HZ1  LYS  10          1HZ       LYS  10 -11.378  11.782  25.735
   86    HZ2  LYS  10          2HZ       LYS  10 -11.799  13.398  26.001
   87    HZ3  LYS  10          3HZ       LYS  10 -10.374  13.021  25.169
   88    H    THR  11           H        THR  11 -12.234  14.332  19.361
   89    HA   THR  11           HA       THR  11 -13.410  16.447  17.713
   90    HB   THR  11           HB       THR  11 -11.375  17.895  18.410
   91    HG1  THR  11           HG1      THR  11 -10.859  15.843  19.887
   92   HG21  THR  11          1HG2      THR  11 -13.843  18.256  18.936
   93   HG22  THR  11          2HG2      THR  11 -12.681  19.027  20.015
   94   HG23  THR  11          3HG2      THR  11 -13.498  17.546  20.513
   95    H    LEU  12           H        LEU  12 -12.187  13.795  17.218
   96    HA   LEU  12           HA       LEU  12 -10.094  14.696  15.360
   97    HB2  LEU  12          2HB       LEU  12  -9.153  12.289  15.803
   98    HB3  LEU  12          3HB       LEU  12  -8.725  13.642  16.847
   99    HG   LEU  12           HG       LEU  12 -11.085  12.198  17.767
  100   HD11  LEU  12          1HD1      LEU  12 -10.003  10.274  16.821
  101   HD12  LEU  12          2HD1      LEU  12  -9.797  10.238  18.571
  102   HD13  LEU  12          3HD1      LEU  12  -8.459  10.736  17.536
  103   HD21  LEU  12          1HD2      LEU  12 -10.110  12.510  19.861
  104   HD22  LEU  12          2HD2      LEU  12  -9.590  13.925  18.946
  105   HD23  LEU  12          3HD2      LEU  12  -8.478  12.579  19.198
  106    H    LYS  13           H        LYS  13 -10.230  13.902  13.332
  107    HA   LYS  13           HA       LYS  13 -12.575  12.311  12.682
  108    HB2  LYS  13          2HB       LYS  13 -10.664  14.013  11.150
  109    HB3  LYS  13          3HB       LYS  13 -11.534  12.755  10.283
  110    HG2  LYS  13          2HG       LYS  13 -12.933  14.544   9.997
  111    HG3  LYS  13          3HG       LYS  13 -13.626  13.802  11.442
  112    HD2  LYS  13          2HD       LYS  13 -12.436  15.385  12.850
  113    HD3  LYS  13          3HD       LYS  13 -11.662  16.096  11.432
  114    HE2  LYS  13          2HE       LYS  13 -13.695  16.987  10.645
  115    HE3  LYS  13          3HE       LYS  13 -14.650  15.985  11.736
  116    HZ1  LYS  13          1HZ       LYS  13 -12.823  18.160  12.604
  117    HZ2  LYS  13          2HZ       LYS  13 -13.842  17.248  13.598
  118    HZ3  LYS  13          3HZ       LYS  13 -14.501  18.311  12.460
  119    H    GLY  14           H        GLY  14 -12.202  10.694  10.785
  120    HA2  GLY  14          2HA       GLY  14  -9.727   9.320  10.624
  121    HA3  GLY  14          3HA       GLY  14 -10.792   8.505  11.761
  122    H    GLU  15           H        GLU  15  -9.715   7.743   9.065
  123    HA   GLU  15           HA       GLU  15 -12.006   6.395   8.121
  124    HB2  GLU  15          2HB       GLU  15 -12.034   7.539   5.834
  125    HB3  GLU  15          3HB       GLU  15 -12.798   8.392   7.168
  126    HG2  GLU  15          2HG       GLU  15 -10.955   9.879   7.381
  127    HG3  GLU  15          3HG       GLU  15  -9.983   8.925   6.262
  128    H    THR  16           H        THR  16 -11.214   4.560   7.361
  129    HA   THR  16           HA       THR  16  -9.148   4.458   5.396
  130    HB   THR  16           HB       THR  16  -7.843   2.812   7.109
  131    HG1  THR  16           HG1      THR  16  -8.768   3.312   9.004
  132   HG21  THR  16          1HG2      THR  16  -6.131   4.195   6.670
  133   HG22  THR  16          2HG2      THR  16  -6.946   5.576   7.406
  134   HG23  THR  16          3HG2      THR  16  -7.299   5.130   5.737
  135    H    THR  17           H        THR  17  -8.697   2.257   4.684
  136    HA   THR  17           HA       THR  17 -10.964   0.471   5.259
  137    HB   THR  17           HB       THR  17  -9.843  -0.591   3.019
  138    HG1  THR  17           HG1      THR  17  -9.460   1.309   1.661
  139   HG21  THR  17          1HG2      THR  17 -11.696   1.642   2.488
  140   HG22  THR  17          2HG2      THR  17 -12.232   0.477   3.697
  141   HG23  THR  17          3HG2      THR  17 -11.827  -0.066   2.069
  142    H    THR  18           H        THR  18 -10.562  -1.836   5.283
  143    HA   THR  18           HA       THR  18  -7.867  -2.806   5.552
  144    HB   THR  18           HB       THR  18  -8.122  -1.854   7.774
  145    HG1  THR  18           HG1      THR  18  -8.477  -4.667   8.001
  146   HG21  THR  18          1HG2      THR  18 -10.502  -3.672   8.142
  147   HG22  THR  18          2HG2      THR  18 -10.628  -1.949   7.792
  148   HG23  THR  18          3HG2      THR  18  -9.867  -2.491   9.287
  149    H    GLU  19           H        GLU  19  -7.824  -4.830   4.822
  150    HA   GLU  19           HA       GLU  19 -10.248  -6.205   4.187
  151    HB2  GLU  19          2HB       GLU  19  -7.328  -6.864   3.916
  152    HB3  GLU  19          3HB       GLU  19  -8.560  -8.073   3.580
  153    HG2  GLU  19          2HG       GLU  19  -9.264  -7.039   1.684
  154    HG3  GLU  19          3HG       GLU  19  -8.839  -5.431   2.270
  155    H    ALA  20           H        ALA  20 -11.159  -7.979   5.130
  156    HA   ALA  20           HA       ALA  20  -9.852  -9.154   7.472
  157    HB1  ALA  20          1HB       ALA  20 -11.192  -7.538   8.532
  158    HB2  ALA  20          2HB       ALA  20 -12.561  -7.852   7.463
  159    HB3  ALA  20          3HB       ALA  20 -12.090  -9.050   8.669
  160    H    VAL  21           H        VAL  21 -10.744 -11.214   8.106
  161    HA   VAL  21           HA       VAL  21 -12.226 -12.539   5.929
  162    HB   VAL  21           HB       VAL  21  -9.884 -13.289   6.037
  163   HG11  VAL  21          1HG1      VAL  21  -9.114 -14.594   7.976
  164   HG12  VAL  21          2HG1      VAL  21  -9.450 -12.912   8.393
  165   HG13  VAL  21          3HG1      VAL  21 -10.599 -14.177   8.830
  166   HG21  VAL  21          1HG2      VAL  21 -10.347 -15.547   5.772
  167   HG22  VAL  21          2HG2      VAL  21 -11.546 -15.557   7.066
  168   HG23  VAL  21          3HG2      VAL  21 -11.925 -14.801   5.517
  169    H    ASP  22           H        ASP  22 -11.787 -12.160   9.374
  170    HA   ASP  22           HA       ASP  22 -14.355 -13.521   9.797
  171    HB2  ASP  22          2HB       ASP  22 -11.753 -14.050  11.197
  172    HB3  ASP  22          3HB       ASP  22 -13.277 -14.294  12.045
  173    H    ALA  23           H        ALA  23 -15.101 -13.079  12.161
  174    HA   ALA  23           HA       ALA  23 -15.458 -10.295  12.422
  175    HB1  ALA  23          1HB       ALA  23 -16.579 -10.836  14.542
  176    HB2  ALA  23          2HB       ALA  23 -17.120 -11.869  13.219
  177    HB3  ALA  23          3HB       ALA  23 -15.987 -12.493  14.418
  178    H    ALA  24           H        ALA  24 -13.088 -12.481  13.700
  179    HA   ALA  24           HA       ALA  24 -12.161 -10.611  15.716
  180    HB1  ALA  24          1HB       ALA  24 -10.327 -12.394  15.962
  181    HB2  ALA  24          2HB       ALA  24 -11.973 -12.821  16.430
  182    HB3  ALA  24          3HB       ALA  24 -11.326 -13.367  14.882
  183    H    THR  25           H        THR  25 -11.434 -11.489  12.448
  184    HA   THR  25           HA       THR  25  -8.767 -10.620  12.289
  185    HB   THR  25           HB       THR  25 -10.768 -10.417  10.040
  186    HG1  THR  25           HG1      THR  25  -9.329 -12.702  10.959
  187   HG21  THR  25          1HG2      THR  25  -7.905 -11.263   9.811
  188   HG22  THR  25          2HG2      THR  25  -8.314  -9.550   9.922
  189   HG23  THR  25          3HG2      THR  25  -8.954 -10.527   8.600
  190    H    ALA  26           H        ALA  26 -11.826  -8.894  11.908
  191    HA   ALA  26           HA       ALA  26 -10.526  -6.412  11.217
  192    HB1  ALA  26          1HB       ALA  26 -13.369  -7.232  11.686
  193    HB2  ALA  26          2HB       ALA  26 -12.924  -5.530  11.556
  194    HB3  ALA  26          3HB       ALA  26 -12.611  -6.628  10.212
  195    H    GLU  27           H        GLU  27 -11.501  -8.028  14.097
  196    HA   GLU  27           HA       GLU  27 -11.610  -5.641  15.719
  197    HB2  GLU  27          2HB       GLU  27 -13.043  -7.410  16.408
  198    HB3  GLU  27          3HB       GLU  27 -11.736  -8.585  16.352
  199    HG2  GLU  27          2HG       GLU  27 -10.891  -7.956  18.366
  200    HG3  GLU  27          3HG       GLU  27 -11.447  -6.292  18.206
  201    H    LYS  28           H        LYS  28  -9.339  -8.264  15.098
  202    HA   LYS  28           HA       LYS  28  -7.451  -7.424  17.076
  203    HB2  LYS  28          2HB       LYS  28  -5.958  -9.073  16.053
  204    HB3  LYS  28          3HB       LYS  28  -7.557  -9.752  16.330
  205    HG2  LYS  28          2HG       LYS  28  -7.261 -10.509  14.229
  206    HG3  LYS  28          3HG       LYS  28  -7.887  -8.910  13.816
  207    HD2  LYS  28          2HD       LYS  28  -5.990  -8.418  12.767
  208    HD3  LYS  28          3HD       LYS  28  -5.072  -8.715  14.245
  209    HE2  LYS  28          2HE       LYS  28  -5.872 -10.765  12.181
  210    HE3  LYS  28          3HE       LYS  28  -4.252 -10.119  12.442
  211    HZ1  LYS  28          1HZ       LYS  28  -4.569 -11.017  14.812
  212    HZ2  LYS  28          2HZ       LYS  28  -4.216 -12.115  13.575
  213    HZ3  LYS  28          3HZ       LYS  28  -5.804 -11.961  14.142
  214    H    VAL  29           H        VAL  29  -7.835  -6.936  13.604
  215    HA   VAL  29           HA       VAL  29  -5.379  -5.778  13.011
  216    HB   VAL  29           HB       VAL  29  -7.261  -6.396  11.400
  217   HG11  VAL  29          1HG1      VAL  29  -8.741  -4.623  12.770
  218   HG12  VAL  29          2HG1      VAL  29  -8.167  -3.587  11.462
  219   HG13  VAL  29          3HG1      VAL  29  -9.061  -5.063  11.093
  220   HG21  VAL  29          1HG2      VAL  29  -6.191  -3.696  10.729
  221   HG22  VAL  29          2HG2      VAL  29  -5.061  -5.023  10.999
  222   HG23  VAL  29          3HG2      VAL  29  -6.284  -5.148   9.734
  223    H    PHE  30           H        PHE  30  -8.026  -4.531  14.832
  224    HA   PHE  30           HA       PHE  30  -7.418  -1.761  14.534
  225    HB2  PHE  30          2HB       PHE  30  -9.223  -3.395  16.234
  226    HB3  PHE  30          3HB       PHE  30  -8.779  -1.808  16.852
  227    HD1  PHE  30           HD1      PHE  30  -8.895   0.085  14.919
  228    HD2  PHE  30           HD2      PHE  30 -11.181  -3.502  15.063
  229    HE1  PHE  30           HE1      PHE  30 -10.607   1.123  13.488
  230    HE2  PHE  30           HE2      PHE  30 -12.895  -2.471  13.631
  231    HZ   PHE  30           HZ       PHE  30 -12.609  -0.157  12.841
  232    H    LYS  31           H        LYS  31  -6.152  -4.316  16.459
  233    HA   LYS  31           HA       LYS  31  -5.194  -3.063  18.710
  234    HB2  LYS  31          2HB       LYS  31  -3.598  -4.804  18.892
  235    HB3  LYS  31          3HB       LYS  31  -4.990  -5.511  18.081
  236    HG2  LYS  31          2HG       LYS  31  -3.360  -6.331  16.744
  237    HG3  LYS  31          3HG       LYS  31  -3.618  -4.788  15.927
  238    HD2  LYS  31          2HD       LYS  31  -1.389  -4.568  16.157
  239    HD3  LYS  31          3HD       LYS  31  -1.796  -4.073  17.802
  240    HE2  LYS  31          2HE       LYS  31  -1.475  -6.362  18.579
  241    HE3  LYS  31          3HE       LYS  31  -1.107  -6.880  16.935
  242    HZ1  LYS  31          1HZ       LYS  31   0.687  -5.995  18.806
  243    HZ2  LYS  31          2HZ       LYS  31   0.530  -4.692  17.740
  244    HZ3  LYS  31          3HZ       LYS  31   0.984  -6.212  17.155
  245    H    GLN  32           H        GLN  32  -4.001  -2.861  15.426
  246    HA   GLN  32           HA       GLN  32  -1.636  -1.379  16.228
  247    HB2  GLN  32          2HB       GLN  32  -1.322  -2.881  14.400
  248    HB3  GLN  32          3HB       GLN  32  -2.717  -2.237  13.546
  249    HG2  GLN  32          2HG       GLN  32  -1.575  -0.161  13.142
  250    HG3  GLN  32          3HG       GLN  32  -0.207  -0.682  14.125
  251   HE21  GLN  32          1HE2      GLN  32   1.186  -2.273  13.324
  252   HE22  GLN  32          2HE2      GLN  32   1.257  -2.655  11.641
  253    H    TYR  33           H        TYR  33  -4.800  -0.790  14.857
  254    HA   TYR  33           HA       TYR  33  -4.333   1.876  14.016
  255    HB2  TYR  33          2HB       TYR  33  -6.760   0.203  14.515
  256    HB3  TYR  33          3HB       TYR  33  -6.953   1.942  14.325
  257    HD1  TYR  33           HD1      TYR  33  -6.985  -1.088  12.622
  258    HD2  TYR  33           HD2      TYR  33  -5.599   2.914  12.213
  259    HE1  TYR  33           HE1      TYR  33  -6.943  -1.358  10.178
  260    HE2  TYR  33           HE2      TYR  33  -5.554   2.655   9.767
  261    HH   TYR  33           HH       TYR  33  -5.644   1.149   8.075
  262    H    PHE  34           H        PHE  34  -5.965   0.564  16.900
  263    HA   PHE  34           HA       PHE  34  -6.515   2.963  18.174
  264    HB2  PHE  34          2HB       PHE  34  -6.082   0.163  19.115
  265    HB3  PHE  34          3HB       PHE  34  -6.168   1.447  20.316
  266    HD1  PHE  34           HD1      PHE  34  -8.034  -1.000  18.908
  267    HD2  PHE  34           HD2      PHE  34  -8.205   3.195  19.602
  268    HE1  PHE  34           HE1      PHE  34 -10.492  -1.089  18.814
  269    HE2  PHE  34           HE2      PHE  34 -10.663   3.113  19.512
  270    HZ   PHE  34           HZ       PHE  34 -11.809   0.970  19.118
  271    H    ASN  35           H        ASN  35  -3.526   1.153  17.994
  272    HA   ASN  35           HA       ASN  35  -2.120   2.401  20.073
  273    HB2  ASN  35          2HB       ASN  35  -1.371   0.349  18.881
  274    HB3  ASN  35          3HB       ASN  35  -0.989   1.339  17.475
  275   HD21  ASN  35          1HD2      ASN  35  -0.255   0.912  20.899
  276   HD22  ASN  35          2HD2      ASN  35   1.374   1.478  20.804
  277    H    ASP  36           H        ASP  36  -3.061   3.542  16.970
  278    HA   ASP  36           HA       ASP  36  -1.130   5.415  16.350
  279    HB2  ASP  36          2HB       ASP  36  -3.205   4.788  15.013
  280    HB3  ASP  36          3HB       ASP  36  -4.086   5.927  16.028
  281    H    ASN  37           H        ASN  37  -3.954   5.808  18.472
  282    HA   ASN  37           HA       ASN  37  -2.800   8.338  19.433
  283    HB2  ASN  37          2HB       ASN  37  -5.101   8.452  18.499
  284    HB3  ASN  37          3HB       ASN  37  -5.636   7.324  19.741
  285   HD21  ASN  37          1HD2      ASN  37  -5.219  10.535  18.931
  286   HD22  ASN  37          2HD2      ASN  37  -5.428  11.231  20.500
  287    H    GLY  38           H        GLY  38  -3.555   5.104  20.309
  288    HA2  GLY  38          2HA       GLY  38  -2.758   3.993  22.208
  289    HA3  GLY  38          3HA       GLY  38  -2.420   5.551  22.949
  290    H    LEU  39           H        LEU  39  -5.530   5.014  21.534
  291    HA   LEU  39           HA       LEU  39  -6.680   4.770  24.237
  292    HB2  LEU  39          2HB       LEU  39  -7.611   6.282  21.819
  293    HB3  LEU  39          3HB       LEU  39  -8.722   5.845  23.116
  294    HG   LEU  39           HG       LEU  39  -6.225   7.408  23.683
  295   HD11  LEU  39          1HD1      LEU  39  -7.204   9.428  23.169
  296   HD12  LEU  39          2HD1      LEU  39  -8.838   8.767  23.196
  297   HD13  LEU  39          3HD1      LEU  39  -7.768   8.413  21.841
  298   HD21  LEU  39          1HD2      LEU  39  -8.903   7.115  25.035
  299   HD22  LEU  39          2HD2      LEU  39  -7.647   8.245  25.543
  300   HD23  LEU  39          3HD2      LEU  39  -7.348   6.506  25.602
  301    H    ASP  40           H        ASP  40  -9.035   3.920  24.088
  302    HA   ASP  40           HA       ASP  40  -9.266   1.813  22.062
  303    HB2  ASP  40          2HB       ASP  40  -9.404   1.425  25.054
  304    HB3  ASP  40          3HB       ASP  40 -10.048   0.254  23.905
  305    H    GLY  41           H        GLY  41 -11.398   1.095  21.657
  306    HA2  GLY  41          2HA       GLY  41 -13.605   2.321  23.075
  307    HA3  GLY  41          3HA       GLY  41 -13.378   2.908  21.435
  308    H    GLU  42           H        GLU  42 -15.450   2.078  20.887
  309    HA   GLU  42           HA       GLU  42 -15.512  -0.856  20.620
  310    HB2  GLU  42          2HB       GLU  42 -17.786   1.098  20.982
  311    HB3  GLU  42          3HB       GLU  42 -18.014  -0.589  20.542
  312    HG2  GLU  42          2HG       GLU  42 -16.335  -0.511  22.820
  313    HG3  GLU  42          3HG       GLU  42 -17.709   0.552  23.119
  314    H    TRP  43           H        TRP  43 -16.234  -1.745  18.679
  315    HA   TRP  43           HA       TRP  43 -16.557   0.140  16.441
  316    HB2  TRP  43          2HB       TRP  43 -15.117  -1.129  15.045
  317    HB3  TRP  43          3HB       TRP  43 -14.255  -0.931  16.567
  318    HD1  TRP  43           HD1      TRP  43 -14.423  -3.158  18.276
  319    HE1  TRP  43           HE1      TRP  43 -14.335  -5.651  17.640
  320    HE3  TRP  43           HE3      TRP  43 -15.627  -2.775  13.322
  321    HZ2  TRP  43           HZ2      TRP  43 -14.725  -7.244  15.342
  322    HZ3  TRP  43           HZ3      TRP  43 -15.748  -4.831  11.975
  323    HH2  TRP  43           HH2      TRP  43 -15.306  -7.018  12.966
  324    H    THR  44           H        THR  44 -18.162  -0.312  15.037
  325    HA   THR  44           HA       THR  44 -19.955  -2.486  15.705
  326    HB   THR  44           HB       THR  44 -20.336  -0.594  13.398
  327    HG1  THR  44           HG1      THR  44 -19.867   0.662  15.265
  328   HG21  THR  44          1HG2      THR  44 -22.742  -0.880  14.157
  329   HG22  THR  44          2HG2      THR  44 -22.156  -2.172  15.206
  330   HG23  THR  44          3HG2      THR  44 -21.973  -2.303  13.457
  331    H    TYR  45           H        TYR  45 -20.853  -3.895  14.022
  332    HA   TYR  45           HA       TYR  45 -18.906  -4.498  11.895
  333    HB2  TYR  45          2HB       TYR  45 -19.695  -6.944  12.286
  334    HB3  TYR  45          3HB       TYR  45 -18.509  -6.246  13.383
  335    HD1  TYR  45           HD1      TYR  45 -21.879  -7.557  13.046
  336    HD2  TYR  45           HD2      TYR  45 -19.189  -5.546  15.656
  337    HE1  TYR  45           HE1      TYR  45 -23.343  -8.084  14.950
  338    HE2  TYR  45           HE2      TYR  45 -20.645  -6.068  17.569
  339    HH   TYR  45           HH       TYR  45 -22.726  -6.782  18.156
  340    H    ASP  46           H        ASP  46 -20.011  -3.676  10.188
  341    HA   ASP  46           HA       ASP  46 -22.731  -4.712   9.726
  342    HB2  ASP  46          2HB       ASP  46 -21.616  -2.264   8.379
  343    HB3  ASP  46          3HB       ASP  46 -23.301  -2.731   8.594
  344    H    ASP  47           H        ASP  47 -22.079  -6.601   8.688
  345    HA   ASP  47           HA       ASP  47 -20.244  -6.568   6.490
  346    HB2  ASP  47          2HB       ASP  47 -21.224  -8.524   8.147
  347    HB3  ASP  47          3HB       ASP  47 -22.086  -8.849   6.646
  348    H    ALA  48           H        ALA  48 -23.650  -6.121   6.866
  349    HA   ALA  48           HA       ALA  48 -24.614  -6.835   4.360
  350    HB1  ALA  48          1HB       ALA  48 -25.491  -4.640   6.227
  351    HB2  ALA  48          2HB       ALA  48 -26.386  -5.117   4.783
  352    HB3  ALA  48          3HB       ALA  48 -26.147  -6.272   6.094
  353    H    THR  49           H        THR  49 -22.758  -4.052   5.343
  354    HA   THR  49           HA       THR  49 -22.771  -3.116   2.550
  355    HB   THR  49           HB       THR  49 -22.842  -0.862   3.170
  356    HG1  THR  49           HG1      THR  49 -22.263  -1.738   5.819
  357   HG21  THR  49          1HG2      THR  49 -24.803  -0.623   4.625
  358   HG22  THR  49          2HG2      THR  49 -24.619  -2.297   5.147
  359   HG23  THR  49          3HG2      THR  49 -25.018  -1.935   3.467
  360    H    LYS  50           H        LYS  50 -20.969  -4.418   4.979
  361    HA   LYS  50           HA       LYS  50 -18.741  -4.722   5.315
  362    HB2  LYS  50          2HB       LYS  50 -18.410  -3.430   2.603
  363    HB3  LYS  50          3HB       LYS  50 -17.236  -4.444   3.432
  364    HG2  LYS  50          2HG       LYS  50 -18.105  -6.005   2.048
  365    HG3  LYS  50          3HG       LYS  50 -19.269  -6.161   3.367
  366    HD2  LYS  50          2HD       LYS  50 -20.917  -4.997   2.219
  367    HD3  LYS  50          3HD       LYS  50 -19.753  -4.208   1.149
  368    HE2  LYS  50          2HE       LYS  50 -19.845  -7.148   0.990
  369    HE3  LYS  50          3HE       LYS  50 -21.295  -6.312   0.436
  370    HZ1  LYS  50          1HZ       LYS  50 -20.231  -5.459  -1.336
  371    HZ2  LYS  50          2HZ       LYS  50 -19.183  -6.767  -1.110
  372    HZ3  LYS  50          3HZ       LYS  50 -18.769  -5.239  -0.515
  373    H    THR  51           H        THR  51 -19.632  -2.664   6.698
  374    HA   THR  51           HA       THR  51 -17.391  -0.800   6.638
  375    HB   THR  51           HB       THR  51 -20.276   0.080   6.508
  376    HG1  THR  51           HG1      THR  51 -19.333  -0.158   4.485
  377   HG21  THR  51          1HG2      THR  51 -19.569   1.605   8.052
  378   HG22  THR  51          2HG2      THR  51 -18.968   2.402   6.598
  379   HG23  THR  51          3HG2      THR  51 -17.874   1.443   7.595
  380    H    PHE  52           H        PHE  52 -16.812  -0.033   8.632
  381    HA   PHE  52           HA       PHE  52 -18.429  -0.973  10.908
  382    HB2  PHE  52          2HB       PHE  52 -15.430  -0.609  10.901
  383    HB3  PHE  52          3HB       PHE  52 -16.412  -1.358  12.155
  384    HD1  PHE  52           HD1      PHE  52 -18.150  -3.130  10.629
  385    HD2  PHE  52           HD2      PHE  52 -14.014  -2.259  10.127
  386    HE1  PHE  52           HE1      PHE  52 -17.818  -5.329   9.576
  387    HE2  PHE  52           HE2      PHE  52 -13.676  -4.456   9.073
  388    HZ   PHE  52           HZ       PHE  52 -15.579  -5.994   8.794
  389    H    THR  53           H        THR  53 -19.203   0.564  12.184
  390    HA   THR  53           HA       THR  53 -18.180   3.288  11.907
  391    HB   THR  53           HB       THR  53 -20.202   4.065  12.833
  392    HG1  THR  53           HG1      THR  53 -21.711   2.317  13.684
  393   HG21  THR  53          1HG2      THR  53 -21.959   2.937  11.529
  394   HG22  THR  53          2HG2      THR  53 -20.859   1.593  11.226
  395   HG23  THR  53          3HG2      THR  53 -20.497   3.193  10.577
  396    H    VAL  54           H        VAL  54 -17.091   4.333  13.462
  397    HA   VAL  54           HA       VAL  54 -17.021   3.178  16.163
  398    HB   VAL  54           HB       VAL  54 -14.583   4.113  14.641
  399   HG11  VAL  54          1HG1      VAL  54 -13.635   2.830  16.814
  400   HG12  VAL  54          2HG1      VAL  54 -13.894   4.573  16.741
  401   HG13  VAL  54          3HG1      VAL  54 -15.108   3.531  17.481
  402   HG21  VAL  54          1HG2      VAL  54 -13.890   1.853  14.532
  403   HG22  VAL  54          2HG2      VAL  54 -15.182   1.327  15.610
  404   HG23  VAL  54          3HG2      VAL  54 -15.564   1.879  13.979
  405    H    THR  55           H        THR  55 -16.708   4.642  17.838
  406    HA   THR  55           HA       THR  55 -16.267   7.445  17.255
  407    HB   THR  55           HB       THR  55 -18.809   6.716  18.700
  408    HG1  THR  55           HG1      THR  55 -19.095   5.996  16.594
  409   HG21  THR  55          1HG2      THR  55 -19.391   9.016  18.364
  410   HG22  THR  55          2HG2      THR  55 -17.994   9.271  17.318
  411   HG23  THR  55          3HG2      THR  55 -17.763   8.968  19.040
  412    H    GLU  56           H        GLU  56 -15.214   8.413  18.885
  413    HA   GLU  56           HA       GLU  56 -15.201   7.064  21.505
  414    HB2  GLU  56          2HB       GLU  56 -13.064   6.997  20.036
  415    HB3  GLU  56          3HB       GLU  56 -12.887   8.686  20.489
  416    HG2  GLU  56          2HG       GLU  56 -13.243   6.557  22.562
  417    HG3  GLU  56          3HG       GLU  56 -11.661   6.910  21.868
  Start of MODEL    5
    1    H1   MET   1           H        MET   1 -12.031 -10.876   4.084
    2    HA   MET   1           HA       MET   1 -13.221 -10.356   1.442
    3    HB2  MET   1          2HB       MET   1 -14.532 -10.292   4.166
    4    HB3  MET   1          3HB       MET   1 -15.339  -9.990   2.633
    5    HG2  MET   1          2HG       MET   1 -14.513 -12.352   2.001
    6    HG3  MET   1          3HG       MET   1 -14.286 -12.558   3.736
    7    HE1  MET   1          1HE       MET   1 -15.880 -14.223   4.520
    8    HE2  MET   1          2HE       MET   1 -16.251 -12.792   5.482
    9    HE3  MET   1          3HE       MET   1 -17.559 -13.785   4.838
   10    H    THR   2           H        THR   2 -13.210  -8.342   0.691
   11    HA   THR   2           HA       THR   2 -11.877  -6.238   1.925
   12    HB   THR   2           HB       THR   2 -14.065  -5.860  -0.119
   13    HG1  THR   2           HG1      THR   2 -12.155  -6.108  -1.593
   14   HG21  THR   2          1HG2      THR   2 -12.155  -4.161  -0.845
   15   HG22  THR   2          2HG2      THR   2 -11.755  -4.269   0.869
   16   HG23  THR   2          3HG2      THR   2 -13.361  -3.740   0.370
   17    H    PHE   3           H        PHE   3 -12.417  -4.774   3.415
   18    HA   PHE   3           HA       PHE   3 -15.215  -4.124   3.892
   19    HB2  PHE   3          2HB       PHE   3 -13.413  -5.456   5.892
   20    HB3  PHE   3          3HB       PHE   3 -14.705  -4.387   6.427
   21    HD1  PHE   3           HD1      PHE   3 -13.897  -7.687   5.916
   22    HD2  PHE   3           HD2      PHE   3 -17.028  -4.914   5.123
   23    HE1  PHE   3           HE1      PHE   3 -15.498  -9.548   5.748
   24    HE2  PHE   3           HE2      PHE   3 -18.634  -6.771   4.955
   25    HZ   PHE   3           HZ       PHE   3 -17.870  -9.091   5.268
   26    H    LYS   4           H        LYS   4 -15.485  -2.237   5.281
   27    HA   LYS   4           HA       LYS   4 -13.087  -0.526   5.338
   28    HB2  LYS   4          2HB       LYS   4 -14.290   1.320   4.560
   29    HB3  LYS   4          3HB       LYS   4 -14.885  -0.003   3.566
   30    HG2  LYS   4          2HG       LYS   4 -16.861  -0.189   4.983
   31    HG3  LYS   4          3HG       LYS   4 -16.262   1.128   5.995
   32    HD2  LYS   4          2HD       LYS   4 -17.706   2.252   4.596
   33    HD3  LYS   4          3HD       LYS   4 -16.177   2.437   3.734
   34    HE2  LYS   4          2HE       LYS   4 -17.848   0.058   3.119
   35    HE3  LYS   4          3HE       LYS   4 -18.393   1.625   2.522
   36    HZ1  LYS   4          1HZ       LYS   4 -16.293  -0.030   1.561
   37    HZ2  LYS   4          2HZ       LYS   4 -15.710   1.512   1.937
   38    HZ3  LYS   4          3HZ       LYS   4 -16.991   1.335   0.846
   39    H    ALA   5           H        ALA   5 -13.061   1.122   6.983
   40    HA   ALA   5           HA       ALA   5 -14.964   0.772   9.178
   41    HB1  ALA   5          1HB       ALA   5 -12.803   0.942  10.688
   42    HB2  ALA   5          2HB       ALA   5 -13.399  -0.611  10.099
   43    HB3  ALA   5          3HB       ALA   5 -12.053   0.185   9.282
   44    H    ILE   6           H        ILE   6 -15.694   2.697   9.769
   45    HA   ILE   6           HA       ILE   6 -14.136   5.082   9.103
   46    HB   ILE   6           HB       ILE   6 -17.023   4.699   9.873
   47   HG12  ILE   6          2HG1      ILE   6 -17.232   5.950   7.610
   48   HG13  ILE   6          3HG1      ILE   6 -15.545   5.503   7.381
   49   HG21  ILE   6          1HG2      ILE   6 -17.038   7.263   9.309
   50   HG22  ILE   6          2HG2      ILE   6 -16.661   6.697  10.935
   51   HG23  ILE   6          3HG2      ILE   6 -15.360   7.169   9.841
   52   HD11  ILE   6          1HD1      ILE   6 -16.091   3.436   6.800
   53   HD12  ILE   6          2HD1      ILE   6 -17.153   3.244   8.196
   54   HD13  ILE   6          3HD1      ILE   6 -17.761   3.997   6.721
   55    H    ILE   7           H        ILE   7 -13.417   6.535  10.593
   56    HA   ILE   7           HA       ILE   7 -13.944   5.940  13.428
   57    HB   ILE   7           HB       ILE   7 -11.451   7.013  13.538
   58   HG12  ILE   7          2HG1      ILE   7 -11.265   5.054  11.263
   59   HG13  ILE   7          3HG1      ILE   7 -11.474   6.775  10.957
   60   HG21  ILE   7          1HG2      ILE   7 -12.264   4.119  13.352
   61   HG22  ILE   7          2HG2      ILE   7 -10.678   4.663  13.896
   62   HG23  ILE   7          3HG2      ILE   7 -12.122   5.106  14.807
   63   HD11  ILE   7          1HD1      ILE   7  -9.421   7.094  12.445
   64   HD12  ILE   7          2HD1      ILE   7  -9.163   5.363  12.225
   65   HD13  ILE   7          3HD1      ILE   7  -9.180   6.437  10.826
   66    H    ASN   8           H        ASN   8 -14.500   7.641  14.647
   67    HA   ASN   8           HA       ASN   8 -13.741  10.335  13.881
   68    HB2  ASN   8          2HB       ASN   8 -16.449   9.246  13.489
   69    HB3  ASN   8          3HB       ASN   8 -16.396  10.778  14.356
   70   HD21  ASN   8          1HD2      ASN   8 -15.593  12.610  13.320
   71   HD22  ASN   8          2HD2      ASN   8 -15.441  12.691  11.600
   72    H    GLY   9           H        GLY   9 -13.012  11.215  15.695
   73    HA2  GLY   9          2HA       GLY   9 -14.181  10.349  18.255
   74    HA3  GLY   9          3HA       GLY   9 -12.585  11.057  18.053
   75    H    LYS  10           H        LYS  10 -13.293  12.444  19.840
   76    HA   LYS  10           HA       LYS  10 -15.420  14.228  19.729
   77    HB2  LYS  10          2HB       LYS  10 -13.690  13.707  21.624
   78    HB3  LYS  10          3HB       LYS  10 -12.800  15.054  20.927
   79    HG2  LYS  10          2HG       LYS  10 -14.832  16.462  21.222
   80    HG3  LYS  10          3HG       LYS  10 -15.578  15.113  22.080
   81    HD2  LYS  10          2HD       LYS  10 -13.619  15.159  23.652
   82    HD3  LYS  10          3HD       LYS  10 -13.111  16.657  22.867
   83    HE2  LYS  10          2HE       LYS  10 -15.788  16.225  24.189
   84    HE3  LYS  10          3HE       LYS  10 -14.410  17.020  24.948
   85    HZ1  LYS  10          1HZ       LYS  10 -15.339  18.861  24.110
   86    HZ2  LYS  10          2HZ       LYS  10 -16.251  18.023  22.958
   87    HZ3  LYS  10          3HZ       LYS  10 -14.627  18.383  22.652
   88    H    THR  11           H        THR  11 -12.038  14.792  18.759
   89    HA   THR  11           HA       THR  11 -12.993  16.747  16.797
   90    HB   THR  11           HB       THR  11 -10.535  17.418  18.369
   91    HG1  THR  11           HG1      THR  11 -12.099  17.189  19.973
   92   HG21  THR  11          1HG2      THR  11 -12.021  18.600  16.274
   93   HG22  THR  11          2HG2      THR  11 -10.611  19.253  17.109
   94   HG23  THR  11          3HG2      THR  11 -12.232  19.618  17.698
   95    H    LEU  12           H        LEU  12 -11.910  13.992  16.693
   96    HA   LEU  12           HA       LEU  12  -9.540  14.532  15.027
   97    HB2  LEU  12          2HB       LEU  12  -8.939  12.121  15.530
   98    HB3  LEU  12          3HB       LEU  12  -8.741  13.286  16.837
   99    HG   LEU  12           HG       LEU  12 -11.271  11.719  16.701
  100   HD11  LEU  12          1HD1      LEU  12  -9.896   9.881  16.466
  101   HD12  LEU  12          2HD1      LEU  12  -9.991  10.045  18.219
  102   HD13  LEU  12          3HD1      LEU  12  -8.568  10.627  17.355
  103   HD21  LEU  12          1HD2      LEU  12  -9.807  13.364  18.594
  104   HD22  LEU  12          2HD2      LEU  12 -10.299  11.817  19.284
  105   HD23  LEU  12          3HD2      LEU  12 -11.507  12.893  18.580
  106    H    LYS  13           H        LYS  13  -9.657  13.951  12.954
  107    HA   LYS  13           HA       LYS  13 -12.096  12.798  11.946
  108    HB2  LYS  13          2HB       LYS  13  -9.662  14.042  10.773
  109    HB3  LYS  13          3HB       LYS  13 -10.577  12.941   9.751
  110    HG2  LYS  13          2HG       LYS  13 -11.319  15.185   9.355
  111    HG3  LYS  13          3HG       LYS  13 -12.603  14.292  10.173
  112    HD2  LYS  13          2HD       LYS  13 -11.844  15.283  12.323
  113    HD3  LYS  13          3HD       LYS  13 -10.684  16.260  11.419
  114    HE2  LYS  13          2HE       LYS  13 -13.550  16.333  10.614
  115    HE3  LYS  13          3HE       LYS  13 -13.061  17.198  12.071
  116    HZ1  LYS  13          1HZ       LYS  13 -12.860  18.089   9.478
  117    HZ2  LYS  13          2HZ       LYS  13 -11.272  17.713   9.925
  118    HZ3  LYS  13          3HZ       LYS  13 -12.175  18.804  10.850
  119    H    GLY  14           H        GLY  14 -11.909  11.056  10.201
  120    HA2  GLY  14          2HA       GLY  14  -9.789   9.190  10.255
  121    HA3  GLY  14          3HA       GLY  14 -11.048   8.668  11.365
  122    H    GLU  15           H        GLU  15  -9.975   7.738   8.638
  123    HA   GLU  15           HA       GLU  15 -12.362   6.625   7.686
  124    HB2  GLU  15          2HB       GLU  15 -12.400   7.856   5.450
  125    HB3  GLU  15          3HB       GLU  15 -13.053   8.711   6.841
  126    HG2  GLU  15          2HG       GLU  15 -10.946   9.939   7.065
  127    HG3  GLU  15          3HG       GLU  15 -10.316   9.098   5.650
  128    H    THR  16           H        THR  16 -11.617   4.746   6.987
  129    HA   THR  16           HA       THR  16  -9.715   4.567   4.865
  130    HB   THR  16           HB       THR  16  -8.164   4.913   6.759
  131    HG1  THR  16           HG1      THR  16  -7.365   3.648   5.108
  132   HG21  THR  16          1HG2      THR  16  -8.755   2.228   7.864
  133   HG22  THR  16          2HG2      THR  16  -9.876   3.525   8.279
  134   HG23  THR  16          3HG2      THR  16  -8.163   3.680   8.670
  135    H    THR  17           H        THR  17  -9.237   2.258   4.311
  136    HA   THR  17           HA       THR  17 -11.327   0.426   5.273
  137    HB   THR  17           HB       THR  17 -11.878  -0.310   3.077
  138    HG1  THR  17           HG1      THR  17 -10.323  -0.234   1.649
  139   HG21  THR  17          1HG2      THR  17 -13.120   1.476   2.417
  140   HG22  THR  17          2HG2      THR  17 -11.749   2.584   2.461
  141   HG23  THR  17          3HG2      THR  17 -12.563   2.128   3.957
  142    H    THR  18           H        THR  18 -10.879  -1.857   4.744
  143    HA   THR  18           HA       THR  18  -8.334  -2.712   3.851
  144    HB   THR  18           HB       THR  18  -7.662  -1.741   6.050
  145    HG1  THR  18           HG1      THR  18  -7.418  -4.578   5.970
  146   HG21  THR  18          1HG2      THR  18  -8.536  -2.398   8.046
  147   HG22  THR  18          2HG2      THR  18  -8.880  -4.033   7.481
  148   HG23  THR  18          3HG2      THR  18  -9.952  -2.703   7.043
  149    H    GLU  19           H        GLU  19  -8.314  -4.882   3.457
  150    HA   GLU  19           HA       GLU  19 -10.795  -6.273   3.608
  151    HB2  GLU  19          2HB       GLU  19  -8.081  -7.418   2.939
  152    HB3  GLU  19          3HB       GLU  19  -9.648  -8.091   2.512
  153    HG2  GLU  19          2HG       GLU  19  -9.171  -7.108   0.541
  154    HG3  GLU  19          3HG       GLU  19  -9.902  -5.718   1.341
  155    H    ALA  20           H        ALA  20 -11.354  -8.082   4.815
  156    HA   ALA  20           HA       ALA  20  -9.540  -8.917   6.954
  157    HB1  ALA  20          1HB       ALA  20 -12.245  -7.691   7.341
  158    HB2  ALA  20          2HB       ALA  20 -11.593  -8.835   8.515
  159    HB3  ALA  20          3HB       ALA  20 -10.730  -7.336   8.172
  160    H    VAL  21           H        VAL  21  -9.570 -11.056   7.276
  161    HA   VAL  21           HA       VAL  21 -11.089 -12.754   5.596
  162    HB   VAL  21           HB       VAL  21  -9.506 -13.449   8.074
  163   HG11  VAL  21          1HG1      VAL  21 -10.575 -15.191   5.857
  164   HG12  VAL  21          2HG1      VAL  21  -9.434 -15.721   7.094
  165   HG13  VAL  21          3HG1      VAL  21 -11.061 -15.217   7.552
  166   HG21  VAL  21          1HG2      VAL  21  -8.021 -12.455   6.534
  167   HG22  VAL  21          2HG2      VAL  21  -7.819 -14.195   6.331
  168   HG23  VAL  21          3HG2      VAL  21  -8.768 -13.276   5.163
  169    H    ASP  22           H        ASP  22 -11.309 -11.978   9.051
  170    HA   ASP  22           HA       ASP  22 -14.110 -12.809   9.006
  171    HB2  ASP  22          2HB       ASP  22 -12.088 -13.818  11.018
  172    HB3  ASP  22          3HB       ASP  22 -13.832 -14.033  11.153
  173    H    ALA  23           H        ALA  23 -14.957 -12.380  11.443
  174    HA   ALA  23           HA       ALA  23 -14.882  -9.573  11.749
  175    HB1  ALA  23          1HB       ALA  23 -15.830 -11.535  13.824
  176    HB2  ALA  23          2HB       ALA  23 -16.358  -9.870  13.579
  177    HB3  ALA  23          3HB       ALA  23 -16.770 -11.109  12.394
  178    H    ALA  24           H        ALA  24 -12.898 -12.093  12.988
  179    HA   ALA  24           HA       ALA  24 -11.885 -10.526  15.208
  180    HB1  ALA  24          1HB       ALA  24 -11.369 -13.282  14.170
  181    HB2  ALA  24          2HB       ALA  24 -10.250 -12.537  15.312
  182    HB3  ALA  24          3HB       ALA  24 -11.940 -12.772  15.759
  183    H    THR  25           H        THR  25 -10.882 -11.499  11.980
  184    HA   THR  25           HA       THR  25  -8.208 -10.849  11.997
  185    HB   THR  25           HB       THR  25 -10.193 -10.377   9.764
  186    HG1  THR  25           HG1      THR  25  -8.393 -12.542  10.215
  187   HG21  THR  25          1HG2      THR  25  -7.442  -9.648   9.965
  188   HG22  THR  25          2HG2      THR  25  -8.529  -9.483   8.585
  189   HG23  THR  25          3HG2      THR  25  -7.594 -10.962   8.799
  190    H    ALA  26           H        ALA  26 -10.959  -8.672  11.431
  191    HA   ALA  26           HA       ALA  26  -9.367  -6.347  11.056
  192    HB1  ALA  26          1HB       ALA  26 -11.313  -5.282  10.650
  193    HB2  ALA  26          2HB       ALA  26 -11.947  -6.926  10.561
  194    HB3  ALA  26          3HB       ALA  26 -12.119  -5.993  12.048
  195    H    GLU  27           H        GLU  27 -10.658  -7.974  13.848
  196    HA   GLU  27           HA       GLU  27 -10.330  -5.763  15.645
  197    HB2  GLU  27          2HB       GLU  27 -11.957  -7.312  16.322
  198    HB3  GLU  27          3HB       GLU  27 -10.914  -8.688  15.993
  199    HG2  GLU  27          2HG       GLU  27  -9.784  -8.486  17.968
  200    HG3  GLU  27          3HG       GLU  27 -10.086  -6.754  18.091
  201    H    LYS  28           H        LYS  28  -8.430  -8.575  14.715
  202    HA   LYS  28           HA       LYS  28  -6.438  -8.303  16.713
  203    HB2  LYS  28          2HB       LYS  28  -6.369  -9.638  14.002
  204    HB3  LYS  28          3HB       LYS  28  -5.081  -9.763  15.193
  205    HG2  LYS  28          2HG       LYS  28  -7.922 -10.681  15.584
  206    HG3  LYS  28          3HG       LYS  28  -6.541 -11.718  15.220
  207    HD2  LYS  28          2HD       LYS  28  -5.467 -10.938  17.317
  208    HD3  LYS  28          3HD       LYS  28  -6.934 -10.030  17.690
  209    HE2  LYS  28          2HE       LYS  28  -7.121 -12.051  18.884
  210    HE3  LYS  28          3HE       LYS  28  -8.177 -12.231  17.484
  211    HZ1  LYS  28          1HZ       LYS  28  -5.959 -13.808  18.247
  212    HZ2  LYS  28          2HZ       LYS  28  -5.685 -13.153  16.712
  213    HZ3  LYS  28          3HZ       LYS  28  -7.074 -14.074  17.003
  214    H    VAL  29           H        VAL  29  -6.919  -6.853  13.574
  215    HA   VAL  29           HA       VAL  29  -4.250  -5.732  13.479
  216    HB   VAL  29           HB       VAL  29  -5.424  -6.418  11.405
  217   HG11  VAL  29          1HG1      VAL  29  -7.237  -4.105  12.082
  218   HG12  VAL  29          2HG1      VAL  29  -7.188  -4.917  10.515
  219   HG13  VAL  29          3HG1      VAL  29  -7.686  -5.806  11.955
  220   HG21  VAL  29          1HG2      VAL  29  -3.815  -4.233  11.830
  221   HG22  VAL  29          2HG2      VAL  29  -4.228  -4.915  10.257
  222   HG23  VAL  29          3HG2      VAL  29  -5.154  -3.559  10.900
  223    H    PHE  30           H        PHE  30  -7.459  -4.763  14.428
  224    HA   PHE  30           HA       PHE  30  -6.916  -1.954  14.490
  225    HB2  PHE  30          2HB       PHE  30  -9.170  -3.718  15.092
  226    HB3  PHE  30          3HB       PHE  30  -9.045  -2.357  16.203
  227    HD1  PHE  30           HD1      PHE  30  -8.302  -0.100  14.758
  228    HD2  PHE  30           HD2      PHE  30 -10.684  -3.364  13.420
  229    HE1  PHE  30           HE1      PHE  30  -9.361   1.362  13.087
  230    HE2  PHE  30           HE2      PHE  30 -11.746  -1.908  11.746
  231    HZ   PHE  30           HZ       PHE  30 -11.084   0.459  11.577
  232    H    LYS  31           H        LYS  31  -6.713  -4.600  16.778
  233    HA   LYS  31           HA       LYS  31  -6.550  -3.266  19.184
  234    HB2  LYS  31          2HB       LYS  31  -5.455  -5.172  20.057
  235    HB3  LYS  31          3HB       LYS  31  -6.491  -5.772  18.768
  236    HG2  LYS  31          2HG       LYS  31  -4.616  -6.901  18.222
  237    HG3  LYS  31          3HG       LYS  31  -4.254  -5.402  17.363
  238    HD2  LYS  31          2HD       LYS  31  -2.695  -4.730  18.920
  239    HD3  LYS  31          3HD       LYS  31  -3.427  -5.678  20.217
  240    HE2  LYS  31          2HE       LYS  31  -2.698  -7.720  18.801
  241    HE3  LYS  31          3HE       LYS  31  -1.623  -6.575  18.000
  242    HZ1  LYS  31          1HZ       LYS  31  -0.402  -7.558  19.742
  243    HZ2  LYS  31          2HZ       LYS  31  -1.648  -7.334  20.864
  244    HZ3  LYS  31          3HZ       LYS  31  -0.789  -6.000  20.277
  245    H    GLN  32           H        GLN  32  -4.174  -3.493  16.634
  246    HA   GLN  32           HA       GLN  32  -2.093  -2.287  18.260
  247    HB2  GLN  32          2HB       GLN  32  -1.675  -4.066  16.498
  248    HB3  GLN  32          3HB       GLN  32  -2.010  -2.829  15.294
  249    HG2  GLN  32          2HG       GLN  32   0.395  -3.170  15.709
  250    HG3  GLN  32          3HG       GLN  32  -0.142  -1.522  16.028
  251   HE21  GLN  32          1HE2      GLN  32   0.474  -4.614  17.629
  252   HE22  GLN  32          2HE2      GLN  32   1.026  -3.934  19.118
  253    H    TYR  33           H        TYR  33  -4.363  -1.382  15.755
  254    HA   TYR  33           HA       TYR  33  -3.208   1.131  15.126
  255    HB2  TYR  33          2HB       TYR  33  -5.820  -0.207  14.617
  256    HB3  TYR  33          3HB       TYR  33  -5.747   1.541  14.423
  257    HD1  TYR  33           HD1      TYR  33  -3.162  -1.028  13.648
  258    HD2  TYR  33           HD2      TYR  33  -5.858   1.889  12.122
  259    HE1  TYR  33           HE1      TYR  33  -2.201  -1.323  11.403
  260    HE2  TYR  33           HE2      TYR  33  -4.905   1.601   9.873
  261    HH   TYR  33           HH       TYR  33  -3.631   0.149   8.585
  262    H    PHE  34           H        PHE  34  -5.932   0.213  17.224
  263    HA   PHE  34           HA       PHE  34  -6.660   2.726  18.118
  264    HB2  PHE  34          2HB       PHE  34  -7.396   0.132  18.709
  265    HB3  PHE  34          3HB       PHE  34  -6.732   0.708  20.234
  266    HD1  PHE  34           HD1      PHE  34  -9.625   0.474  18.306
  267    HD2  PHE  34           HD2      PHE  34  -7.570   3.128  20.924
  268    HE1  PHE  34           HE1      PHE  34 -11.740   1.640  18.779
  269    HE2  PHE  34           HE2      PHE  34  -9.682   4.297  21.402
  270    HZ   PHE  34           HZ       PHE  34 -11.770   3.553  20.330
  271    H    ASN  35           H        ASN  35  -4.024   0.659  19.180
  272    HA   ASN  35           HA       ASN  35  -3.310   1.963  21.533
  273    HB2  ASN  35          2HB       ASN  35  -2.325  -0.168  20.909
  274    HB3  ASN  35          3HB       ASN  35  -1.549   0.566  19.509
  275   HD21  ASN  35          1HD2      ASN  35   0.547   0.612  19.861
  276   HD22  ASN  35          2HD2      ASN  35   1.322   1.129  21.316
  277    H    ASP  36           H        ASP  36  -2.911   2.917  18.234
  278    HA   ASP  36           HA       ASP  36  -0.799   4.771  18.574
  279    HB2  ASP  36          2HB       ASP  36  -3.011   4.787  16.509
  280    HB3  ASP  36          3HB       ASP  36  -1.489   5.668  16.405
  281    H    ASN  37           H        ASN  37  -4.219   4.917  19.170
  282    HA   ASN  37           HA       ASN  37  -4.204   7.809  19.465
  283    HB2  ASN  37          2HB       ASN  37  -6.521   6.062  20.226
  284    HB3  ASN  37          3HB       ASN  37  -6.530   7.698  19.574
  285   HD21  ASN  37          1HD2      ASN  37  -5.589   7.865  17.321
  286   HD22  ASN  37          2HD2      ASN  37  -6.060   6.637  16.201
  287    H    GLY  38           H        GLY  38  -3.823   4.995  21.397
  288    HA2  GLY  38          2HA       GLY  38  -3.261   4.791  23.623
  289    HA3  GLY  38          3HA       GLY  38  -3.211   6.545  23.715
  290    H    LEU  39           H        LEU  39  -6.111   5.163  22.511
  291    HA   LEU  39           HA       LEU  39  -7.395   5.552  25.135
  292    HB2  LEU  39          2HB       LEU  39  -8.120   6.546  22.437
  293    HB3  LEU  39          3HB       LEU  39  -9.436   6.045  23.497
  294    HG   LEU  39           HG       LEU  39  -9.091   8.441  23.634
  295   HD11  LEU  39          1HD1      LEU  39  -7.971   7.468  26.212
  296   HD12  LEU  39          2HD1      LEU  39  -9.546   6.868  25.693
  297   HD13  LEU  39          3HD1      LEU  39  -9.289   8.599  25.905
  298   HD21  LEU  39          1HD2      LEU  39  -6.326   7.851  24.674
  299   HD22  LEU  39          2HD2      LEU  39  -7.049   9.431  24.371
  300   HD23  LEU  39          3HD2      LEU  39  -6.667   8.362  23.021
  301    H    ASP  40           H        ASP  40  -9.672   4.503  25.112
  302    HA   ASP  40           HA       ASP  40  -9.520   1.888  23.765
  303    HB2  ASP  40          2HB       ASP  40 -10.706   1.003  25.862
  304    HB3  ASP  40          3HB       ASP  40  -8.988   1.369  25.999
  305    H    GLY  41           H        GLY  41 -11.188   1.565  22.458
  306    HA2  GLY  41          2HA       GLY  41 -13.811   2.665  23.229
  307    HA3  GLY  41          3HA       GLY  41 -13.185   2.927  21.608
  308    H    GLU  42           H        GLU  42 -14.816   1.833  20.553
  309    HA   GLU  42           HA       GLU  42 -14.561  -1.053  20.570
  310    HB2  GLU  42          2HB       GLU  42 -16.983  -1.438  20.835
  311    HB3  GLU  42          3HB       GLU  42 -16.259  -0.736  22.275
  312    HG2  GLU  42          2HG       GLU  42 -17.554   1.017  20.234
  313    HG3  GLU  42          3HG       GLU  42 -18.530   0.153  21.421
  314    H    TRP  43           H        TRP  43 -15.516  -2.060  18.719
  315    HA   TRP  43           HA       TRP  43 -16.286  -0.189  16.582
  316    HB2  TRP  43          2HB       TRP  43 -14.919  -1.323  14.991
  317    HB3  TRP  43          3HB       TRP  43 -13.899  -1.003  16.391
  318    HD1  TRP  43           HD1      TRP  43 -13.555  -3.199  18.095
  319    HE1  TRP  43           HE1      TRP  43 -13.281  -5.679  17.464
  320    HE3  TRP  43           HE3      TRP  43 -15.507  -3.056  13.372
  321    HZ2  TRP  43           HZ2      TRP  43 -13.819  -7.353  15.256
  322    HZ3  TRP  43           HZ3      TRP  43 -15.590  -5.140  12.066
  323    HH2  TRP  43           HH2      TRP  43 -14.763  -7.243  12.990
  324    H    THR  44           H        THR  44 -18.006  -0.772  15.381
  325    HA   THR  44           HA       THR  44 -19.437  -3.177  16.167
  326    HB   THR  44           HB       THR  44 -21.330  -2.287  14.996
  327    HG1  THR  44           HG1      THR  44 -19.909  -0.027  14.113
  328   HG21  THR  44          1HG2      THR  44 -19.839  -0.105  16.457
  329   HG22  THR  44          2HG2      THR  44 -20.954  -1.278  17.158
  330   HG23  THR  44          3HG2      THR  44 -21.552  -0.046  16.046
  331    H    TYR  45           H        TYR  45 -20.612  -4.370  14.350
  332    HA   TYR  45           HA       TYR  45 -18.845  -4.698  12.020
  333    HB2  TYR  45          2HB       TYR  45 -19.469  -7.190  12.193
  334    HB3  TYR  45          3HB       TYR  45 -18.273  -6.565  13.323
  335    HD1  TYR  45           HD1      TYR  45 -21.574  -8.025  12.953
  336    HD2  TYR  45           HD2      TYR  45 -18.900  -6.159  15.687
  337    HE1  TYR  45           HE1      TYR  45 -22.927  -8.853  14.833
  338    HE2  TYR  45           HE2      TYR  45 -20.245  -6.983  17.574
  339    HH   TYR  45           HH       TYR  45 -23.296  -8.033  17.336
  340    H    ASP  46           H        ASP  46 -20.000  -4.050  10.328
  341    HA   ASP  46           HA       ASP  46 -22.787  -4.983  10.106
  342    HB2  ASP  46          2HB       ASP  46 -21.747  -2.438   8.864
  343    HB3  ASP  46          3HB       ASP  46 -23.422  -2.948   9.055
  344    H    ASP  47           H        ASP  47 -22.241  -6.807   8.912
  345    HA   ASP  47           HA       ASP  47 -20.595  -6.659   6.574
  346    HB2  ASP  47          2HB       ASP  47 -21.453  -8.701   8.196
  347    HB3  ASP  47          3HB       ASP  47 -22.435  -8.939   6.754
  348    H    ALA  48           H        ALA  48 -23.952  -6.214   7.255
  349    HA   ALA  48           HA       ALA  48 -25.157  -6.798   4.834
  350    HB1  ALA  48          1HB       ALA  48 -26.967  -5.518   5.538
  351    HB2  ALA  48          2HB       ALA  48 -26.194  -5.995   7.051
  352    HB3  ALA  48          3HB       ALA  48 -25.944  -4.372   6.407
  353    H    THR  49           H        THR  49 -23.185  -4.050   5.733
  354    HA   THR  49           HA       THR  49 -23.401  -3.060   2.965
  355    HB   THR  49           HB       THR  49 -24.481  -1.408   4.284
  356    HG1  THR  49           HG1      THR  49 -22.955   0.354   4.097
  357   HG21  THR  49          1HG2      THR  49 -24.097  -1.316   6.479
  358   HG22  THR  49          2HG2      THR  49 -22.572  -0.501   6.133
  359   HG23  THR  49          3HG2      THR  49 -22.616  -2.255   6.303
  360    H    LYS  50           H        LYS  50 -21.420  -4.452   5.215
  361    HA   LYS  50           HA       LYS  50 -19.183  -4.850   5.313
  362    HB2  LYS  50          2HB       LYS  50 -19.002  -3.458   2.639
  363    HB3  LYS  50          3HB       LYS  50 -17.866  -4.617   3.315
  364    HG2  LYS  50          2HG       LYS  50 -18.948  -6.111   2.063
  365    HG3  LYS  50          3HG       LYS  50 -20.185  -6.048   3.320
  366    HD2  LYS  50          2HD       LYS  50 -21.575  -4.691   2.066
  367    HD3  LYS  50          3HD       LYS  50 -20.250  -4.071   1.079
  368    HE2  LYS  50          2HE       LYS  50 -20.109  -6.099  -0.151
  369    HE3  LYS  50          3HE       LYS  50 -21.179  -6.933   0.975
  370    HZ1  LYS  50          1HZ       LYS  50 -22.778  -4.983   0.207
  371    HZ2  LYS  50          2HZ       LYS  50 -22.673  -6.449  -0.630
  372    HZ3  LYS  50          3HZ       LYS  50 -21.830  -5.093  -1.190
  373    H    THR  51           H        THR  51 -19.907  -2.788   6.813
  374    HA   THR  51           HA       THR  51 -17.605  -1.009   6.625
  375    HB   THR  51           HB       THR  51 -20.450  -0.003   6.767
  376    HG1  THR  51           HG1      THR  51 -19.969  -0.028   4.671
  377   HG21  THR  51          1HG2      THR  51 -19.004   2.247   6.711
  378   HG22  THR  51          2HG2      THR  51 -17.887   1.223   7.614
  379   HG23  THR  51          3HG2      THR  51 -19.523   1.488   8.216
  380    H    PHE  52           H        PHE  52 -16.867  -0.276   8.588
  381    HA   PHE  52           HA       PHE  52 -18.304  -1.288  10.954
  382    HB2  PHE  52          2HB       PHE  52 -15.325  -0.844  10.677
  383    HB3  PHE  52          3HB       PHE  52 -16.158  -1.566  12.050
  384    HD1  PHE  52           HD1      PHE  52 -18.025  -3.399  10.742
  385    HD2  PHE  52           HD2      PHE  52 -13.961  -2.511   9.837
  386    HE1  PHE  52           HE1      PHE  52 -17.767  -5.626   9.728
  387    HE2  PHE  52           HE2      PHE  52 -13.698  -4.736   8.821
  388    HZ   PHE  52           HZ       PHE  52 -15.602  -6.296   8.764
  389    H    THR  53           H        THR  53 -18.914   0.140  12.447
  390    HA   THR  53           HA       THR  53 -18.148   2.935  12.085
  391    HB   THR  53           HB       THR  53 -20.024   3.532  13.406
  392    HG1  THR  53           HG1      THR  53 -20.009   2.165  15.117
  393   HG21  THR  53          1HG2      THR  53 -21.896   2.332  12.327
  394   HG22  THR  53          2HG2      THR  53 -20.754   1.124  11.735
  395   HG23  THR  53          3HG2      THR  53 -20.641   2.794  11.178
  396    H    VAL  54           H        VAL  54 -16.701   3.905  13.342
  397    HA   VAL  54           HA       VAL  54 -16.224   2.855  16.045
  398    HB   VAL  54           HB       VAL  54 -14.052   3.618  14.088
  399   HG11  VAL  54          1HG1      VAL  54 -12.566   2.731  15.937
  400   HG12  VAL  54          2HG1      VAL  54 -13.332   4.293  16.235
  401   HG13  VAL  54          3HG1      VAL  54 -13.976   2.835  16.990
  402   HG21  VAL  54          1HG2      VAL  54 -13.478   1.351  13.948
  403   HG22  VAL  54          2HG2      VAL  54 -14.471   0.921  15.341
  404   HG23  VAL  54          3HG2      VAL  54 -15.236   1.367  13.816
  405    H    THR  55           H        THR  55 -15.651   4.369  17.585
  406    HA   THR  55           HA       THR  55 -15.246   7.139  16.792
  407    HB   THR  55           HB       THR  55 -17.022   7.870  18.480
  408    HG1  THR  55           HG1      THR  55 -17.243   5.444  19.057
  409   HG21  THR  55          1HG2      THR  55 -18.417   6.546  16.222
  410   HG22  THR  55          2HG2      THR  55 -17.117   7.667  15.818
  411   HG23  THR  55          3HG2      THR  55 -18.492   8.218  16.775
  412    H    GLU  56           H        GLU  56 -14.095   8.315  18.268
  413    HA   GLU  56           HA       GLU  56 -13.081   6.819  20.575
  414    HB2  GLU  56          2HB       GLU  56 -11.377   7.656  19.072
  415    HB3  GLU  56          3HB       GLU  56 -12.034   9.283  19.175
  416    HG2  GLU  56          2HG       GLU  56  -9.947   8.763  20.531
  417    HG3  GLU  56          3HG       GLU  56 -11.270   9.587  21.353
  Start of MODEL    6
    1    H1   MET   1           H        MET   1 -10.907 -10.852   3.305
    2    HA   MET   1           HA       MET   1 -12.681 -10.253   1.030
    3    HB2  MET   1          2HB       MET   1 -13.280 -10.857   3.863
    4    HB3  MET   1          3HB       MET   1 -14.192  -9.530   3.154
    5    HG2  MET   1          2HG       MET   1 -14.866 -11.053   1.315
    6    HG3  MET   1          3HG       MET   1 -14.065 -12.369   2.170
    7    HE1  MET   1          1HE       MET   1 -16.650  -9.520   2.501
    8    HE2  MET   1          2HE       MET   1 -17.469 -10.772   1.568
    9    HE3  MET   1          3HE       MET   1 -18.041 -10.362   3.185
   10    H    THR   2           H        THR   2 -13.719  -8.066   1.200
   11    HA   THR   2           HA       THR   2 -11.715  -6.122   2.127
   12    HB   THR   2           HB       THR   2 -13.831  -5.865  -0.018
   13    HG1  THR   2           HG1      THR   2 -12.124  -5.961  -1.404
   14   HG21  THR   2          1HG2      THR   2 -13.589  -3.736   1.116
   15   HG22  THR   2          2HG2      THR   2 -12.810  -3.654  -0.464
   16   HG23  THR   2          3HG2      THR   2 -11.833  -3.838   0.992
   17    H    PHE   3           H        PHE   3 -12.275  -4.430   3.430
   18    HA   PHE   3           HA       PHE   3 -15.072  -4.009   4.124
   19    HB2  PHE   3          2HB       PHE   3 -12.964  -4.931   6.067
   20    HB3  PHE   3          3HB       PHE   3 -14.377  -4.029   6.603
   21    HD1  PHE   3           HD1      PHE   3 -13.095  -7.224   5.542
   22    HD2  PHE   3           HD2      PHE   3 -16.647  -4.990   6.252
   23    HE1  PHE   3           HE1      PHE   3 -14.390  -9.315   5.623
   24    HE2  PHE   3           HE2      PHE   3 -17.947  -7.077   6.335
   25    HZ   PHE   3           HZ       PHE   3 -16.819  -9.243   6.021
   26    H    LYS   4           H        LYS   4 -15.326  -2.091   5.583
   27    HA   LYS   4           HA       LYS   4 -13.119  -0.173   5.342
   28    HB2  LYS   4          2HB       LYS   4 -14.378   0.509   3.502
   29    HB3  LYS   4          3HB       LYS   4 -15.908   0.127   4.282
   30    HG2  LYS   4          2HG       LYS   4 -15.694   2.046   5.731
   31    HG3  LYS   4          3HG       LYS   4 -14.099   2.404   5.064
   32    HD2  LYS   4          2HD       LYS   4 -16.409   2.196   3.196
   33    HD3  LYS   4          3HD       LYS   4 -16.263   3.642   4.196
   34    HE2  LYS   4          2HE       LYS   4 -14.947   4.398   2.546
   35    HE3  LYS   4          3HE       LYS   4 -13.719   3.359   3.268
   36    HZ1  LYS   4          1HZ       LYS   4 -14.978   1.626   1.688
   37    HZ2  LYS   4          2HZ       LYS   4 -13.630   2.522   1.200
   38    HZ3  LYS   4          3HZ       LYS   4 -15.185   3.042   0.786
   39    H    ALA   5           H        ALA   5 -12.651   0.209   7.416
   40    HA   ALA   5           HA       ALA   5 -14.822   0.472   9.364
   41    HB1  ALA   5          1HB       ALA   5 -12.371  -0.764   9.519
   42    HB2  ALA   5          2HB       ALA   5 -12.112   0.745  10.395
   43    HB3  ALA   5          3HB       ALA   5 -13.408  -0.348  10.884
   44    H    ILE   6           H        ILE   6 -15.458   2.380  10.137
   45    HA   ILE   6           HA       ILE   6 -13.884   4.757   9.417
   46    HB   ILE   6           HB       ILE   6 -16.815   4.394   9.997
   47   HG12  ILE   6          2HG1      ILE   6 -16.780   5.778   7.755
   48   HG13  ILE   6          3HG1      ILE   6 -15.137   5.157   7.636
   49   HG21  ILE   6          1HG2      ILE   6 -16.924   6.913   9.627
   50   HG22  ILE   6          2HG2      ILE   6 -16.335   6.354  11.192
   51   HG23  ILE   6          3HG2      ILE   6 -15.195   6.921   9.973
   52   HD11  ILE   6          1HD1      ILE   6 -15.874   2.937   7.516
   53   HD12  ILE   6          2HD1      ILE   6 -17.494   3.357   8.074
   54   HD13  ILE   6          3HD1      ILE   6 -16.961   3.847   6.466
   55    H    ILE   7           H        ILE   7 -13.197   6.185  10.936
   56    HA   ILE   7           HA       ILE   7 -13.861   5.587  13.745
   57    HB   ILE   7           HB       ILE   7 -11.441   6.683  14.048
   58   HG12  ILE   7          2HG1      ILE   7 -10.929   4.977  11.644
   59   HG13  ILE   7          3HG1      ILE   7 -11.375   6.664  11.414
   60   HG21  ILE   7          1HG2      ILE   7 -12.053   4.617  15.062
   61   HG22  ILE   7          2HG2      ILE   7 -12.091   3.795  13.503
   62   HG23  ILE   7          3HG2      ILE   7 -10.554   4.340  14.173
   63   HD11  ILE   7          1HD1      ILE   7  -8.995   6.479  11.387
   64   HD12  ILE   7          2HD1      ILE   7  -9.475   7.302  12.871
   65   HD13  ILE   7          3HD1      ILE   7  -8.998   5.606  12.920
   66    H    ASN   8           H        ASN   8 -14.067   7.328  15.148
   67    HA   ASN   8           HA       ASN   8 -13.660  10.025  14.160
   68    HB2  ASN   8          2HB       ASN   8 -16.382   8.873  14.731
   69    HB3  ASN   8          3HB       ASN   8 -16.070  10.599  14.890
   70   HD21  ASN   8          1HD2      ASN   8 -17.241   8.339  12.876
   71   HD22  ASN   8          2HD2      ASN   8 -16.955   9.107  11.354
   72    H    GLY   9           H        GLY   9 -13.424  11.540  15.783
   73    HA2  GLY   9          2HA       GLY   9 -13.712  10.537  18.546
   74    HA3  GLY   9          3HA       GLY   9 -12.256  11.372  18.024
   75    H    LYS  10           H        LYS  10 -13.070  12.609  20.033
   76    HA   LYS  10           HA       LYS  10 -15.276  14.261  20.041
   77    HB2  LYS  10          2HB       LYS  10 -12.507  14.732  21.149
   78    HB3  LYS  10          3HB       LYS  10 -13.869  15.794  21.478
   79    HG2  LYS  10          2HG       LYS  10 -15.069  13.960  22.529
   80    HG3  LYS  10          3HG       LYS  10 -13.734  12.865  22.165
   81    HD2  LYS  10          2HD       LYS  10 -13.396  13.481  24.401
   82    HD3  LYS  10          3HD       LYS  10 -12.274  14.493  23.491
   83    HE2  LYS  10          2HE       LYS  10 -13.791  16.366  23.624
   84    HE3  LYS  10          3HE       LYS  10 -15.013  15.363  24.404
   85    HZ1  LYS  10          1HZ       LYS  10 -14.054  16.423  26.182
   86    HZ2  LYS  10          2HZ       LYS  10 -12.502  16.421  25.508
   87    HZ3  LYS  10          3HZ       LYS  10 -13.150  14.993  26.145
   88    H    THR  11           H        THR  11 -12.029  15.037  18.799
   89    HA   THR  11           HA       THR  11 -13.263  16.924  16.929
   90    HB   THR  11           HB       THR  11 -10.719  17.794  18.215
   91    HG1  THR  11           HG1      THR  11 -13.285  17.873  19.426
   92   HG21  THR  11          1HG2      THR  11 -12.604  19.870  17.936
   93   HG22  THR  11          2HG2      THR  11 -12.730  18.879  16.483
   94   HG23  THR  11          3HG2      THR  11 -11.175  19.570  16.950
   95    H    LEU  12           H        LEU  12 -12.022  14.244  16.728
   96    HA   LEU  12           HA       LEU  12  -9.888  14.934  14.819
   97    HB2  LEU  12          2HB       LEU  12  -8.584  13.142  15.472
   98    HB3  LEU  12          3HB       LEU  12  -9.213  13.748  17.003
   99    HG   LEU  12           HG       LEU  12 -11.058  11.881  16.511
  100   HD11  LEU  12          1HD1      LEU  12 -10.533  10.566  14.803
  101   HD12  LEU  12          2HD1      LEU  12  -9.148  10.004  15.738
  102   HD13  LEU  12          3HD1      LEU  12  -8.963  11.345  14.609
  103   HD21  LEU  12          1HD2      LEU  12 -10.196  10.963  18.354
  104   HD22  LEU  12          2HD2      LEU  12  -8.969  12.227  18.267
  105   HD23  LEU  12          3HD2      LEU  12  -8.649  10.637  17.571
  106    H    LYS  13           H        LYS  13 -10.062  14.103  12.818
  107    HA   LYS  13           HA       LYS  13 -12.497  12.709  12.134
  108    HB2  LYS  13          2HB       LYS  13 -10.263  13.978  10.607
  109    HB3  LYS  13          3HB       LYS  13 -11.296  12.814   9.786
  110    HG2  LYS  13          2HG       LYS  13 -12.386  14.754   9.295
  111    HG3  LYS  13          3HG       LYS  13 -13.219  14.296  10.782
  112    HD2  LYS  13          2HD       LYS  13 -12.745  16.482  11.258
  113    HD3  LYS  13          3HD       LYS  13 -11.284  15.717  11.886
  114    HE2  LYS  13          2HE       LYS  13 -10.479  16.098   9.383
  115    HE3  LYS  13          3HE       LYS  13 -11.670  17.394   9.466
  116    HZ1  LYS  13          1HZ       LYS  13  -9.525  17.044  11.481
  117    HZ2  LYS  13          2HZ       LYS  13 -10.531  18.387  11.263
  118    HZ3  LYS  13          3HZ       LYS  13  -9.349  18.019  10.110
  119    H    GLY  14           H        GLY  14 -12.333  10.851  10.520
  120    HA2  GLY  14          2HA       GLY  14 -10.042   9.171  10.546
  121    HA3  GLY  14          3HA       GLY  14 -11.214   8.624  11.737
  122    H    GLU  15           H        GLU  15 -10.159   7.808   8.881
  123    HA   GLU  15           HA       GLU  15 -12.449   6.351   8.140
  124    HB2  GLU  15          2HB       GLU  15 -13.316   8.502   7.399
  125    HB3  GLU  15          3HB       GLU  15 -11.867   8.785   6.447
  126    HG2  GLU  15          2HG       GLU  15 -12.447   6.764   5.104
  127    HG3  GLU  15          3HG       GLU  15 -13.978   6.698   5.975
  128    H    THR  16           H        THR  16 -11.495   4.563   7.452
  129    HA   THR  16           HA       THR  16  -9.678   4.621   5.220
  130    HB   THR  16           HB       THR  16  -8.577   3.259   7.654
  131    HG1  THR  16           HG1      THR  16  -7.727   5.856   6.968
  132   HG21  THR  16          1HG2      THR  16  -7.585   4.148   4.985
  133   HG22  THR  16          2HG2      THR  16  -7.333   2.620   5.829
  134   HG23  THR  16          3HG2      THR  16  -6.446   4.060   6.327
  135    H    THR  17           H        THR  17  -9.263   2.518   4.342
  136    HA   THR  17           HA       THR  17 -11.270   0.539   5.185
  137    HB   THR  17           HB       THR  17 -11.287  -0.317   2.954
  138    HG1  THR  17           HG1      THR  17  -9.705   0.041   1.555
  139   HG21  THR  17          1HG2      THR  17 -11.250   2.703   2.905
  140   HG22  THR  17          2HG2      THR  17 -12.640   1.672   3.246
  141   HG23  THR  17          3HG2      THR  17 -11.922   1.682   1.635
  142    H    THR  18           H        THR  18 -10.676  -1.758   4.835
  143    HA   THR  18           HA       THR  18  -7.947  -2.534   4.636
  144    HB   THR  18           HB       THR  18  -7.725  -1.677   6.871
  145    HG1  THR  18           HG1      THR  18  -6.750  -3.733   6.451
  146   HG21  THR  18          1HG2      THR  18 -10.075  -3.421   7.621
  147   HG22  THR  18          2HG2      THR  18 -10.115  -1.666   7.466
  148   HG23  THR  18          3HG2      THR  18  -9.128  -2.418   8.718
  149    H    GLU  19           H        GLU  19  -7.900  -4.565   3.911
  150    HA   GLU  19           HA       GLU  19 -10.312  -6.071   3.671
  151    HB2  GLU  19          2HB       GLU  19  -8.852  -7.787   2.626
  152    HB3  GLU  19          3HB       GLU  19  -8.666  -6.190   1.914
  153    HG2  GLU  19          2HG       GLU  19  -6.481  -6.609   2.124
  154    HG3  GLU  19          3HG       GLU  19  -6.733  -6.120   3.798
  155    H    ALA  20           H        ALA  20 -11.055  -7.740   4.852
  156    HA   ALA  20           HA       ALA  20  -9.326  -8.819   6.976
  157    HB1  ALA  20          1HB       ALA  20 -10.682  -7.421   8.226
  158    HB2  ALA  20          2HB       ALA  20 -12.097  -7.718   7.215
  159    HB3  ALA  20          3HB       ALA  20 -11.529  -8.965   8.326
  160    H    VAL  21           H        VAL  21 -10.097 -10.918   7.829
  161    HA   VAL  21           HA       VAL  21 -11.264 -12.523   5.658
  162    HB   VAL  21           HB       VAL  21  -9.514 -13.396   7.961
  163   HG11  VAL  21          1HG1      VAL  21 -11.077 -15.148   7.376
  164   HG12  VAL  21          2HG1      VAL  21 -10.669 -14.978   5.667
  165   HG13  VAL  21          3HG1      VAL  21  -9.463 -15.575   6.809
  166   HG21  VAL  21          1HG2      VAL  21  -8.952 -13.106   5.012
  167   HG22  VAL  21          2HG2      VAL  21  -8.253 -12.154   6.322
  168   HG23  VAL  21          3HG2      VAL  21  -7.865 -13.868   6.173
  169    H    ASP  22           H        ASP  22 -11.331 -12.050   9.168
  170    HA   ASP  22           HA       ASP  22 -14.071 -13.097   9.186
  171    HB2  ASP  22          2HB       ASP  22 -11.885 -13.902  11.115
  172    HB3  ASP  22          3HB       ASP  22 -13.592 -14.280  11.328
  173    H    ALA  23           H        ALA  23 -14.919 -12.744  11.613
  174    HA   ALA  23           HA       ALA  23 -15.069  -9.939  11.946
  175    HB1  ALA  23          1HB       ALA  23 -16.305 -10.521  14.051
  176    HB2  ALA  23          2HB       ALA  23 -16.947 -11.253  12.580
  177    HB3  ALA  23          3HB       ALA  23 -15.976 -12.216  13.694
  178    H    ALA  24           H        ALA  24 -12.917 -12.326  13.180
  179    HA   ALA  24           HA       ALA  24 -12.022 -10.697  15.407
  180    HB1  ALA  24          1HB       ALA  24 -10.261 -12.594  15.525
  181    HB2  ALA  24          2HB       ALA  24 -11.935 -12.944  15.957
  182    HB3  ALA  24          3HB       ALA  24 -11.316 -13.412  14.374
  183    H    THR  25           H        THR  25 -10.981 -11.551  12.167
  184    HA   THR  25           HA       THR  25  -8.343 -10.772  12.176
  185    HB   THR  25           HB       THR  25 -10.370 -10.323   9.976
  186    HG1  THR  25           HG1      THR  25  -8.445 -12.387  10.063
  187   HG21  THR  25          1HG2      THR  25  -7.763 -10.774   8.966
  188   HG22  THR  25          2HG2      THR  25  -7.645  -9.496  10.176
  189   HG23  THR  25          3HG2      THR  25  -8.753  -9.324   8.816
  190    H    ALA  26           H        ALA  26 -11.211  -8.722  11.791
  191    HA   ALA  26           HA       ALA  26  -9.709  -6.309  11.468
  192    HB1  ALA  26          1HB       ALA  26 -12.021  -5.273  11.974
  193    HB2  ALA  26          2HB       ALA  26 -11.813  -6.210  10.495
  194    HB3  ALA  26          3HB       ALA  26 -12.606  -6.935  11.893
  195    H    GLU  27           H        GLU  27 -10.914  -8.118  14.170
  196    HA   GLU  27           HA       GLU  27 -10.744  -5.949  16.052
  197    HB2  GLU  27          2HB       GLU  27 -12.321  -7.604  16.618
  198    HB3  GLU  27          3HB       GLU  27 -11.191  -8.913  16.301
  199    HG2  GLU  27          2HG       GLU  27  -9.960  -8.436  18.279
  200    HG3  GLU  27          3HG       GLU  27 -10.853  -6.939  18.542
  201    H    LYS  28           H        LYS  28  -8.667  -8.533  14.941
  202    HA   LYS  28           HA       LYS  28  -6.722  -8.214  17.026
  203    HB2  LYS  28          2HB       LYS  28  -6.902  -9.791  14.495
  204    HB3  LYS  28          3HB       LYS  28  -5.323  -9.561  15.234
  205    HG2  LYS  28          2HG       LYS  28  -7.609 -10.557  16.878
  206    HG3  LYS  28          3HG       LYS  28  -6.728 -11.659  15.818
  207    HD2  LYS  28          2HD       LYS  28  -5.283  -9.884  17.758
  208    HD3  LYS  28          3HD       LYS  28  -5.958 -11.434  18.267
  209    HE2  LYS  28          2HE       LYS  28  -4.500 -12.647  16.960
  210    HE3  LYS  28          3HE       LYS  28  -4.243 -11.321  15.828
  211    HZ1  LYS  28          1HZ       LYS  28  -2.933 -11.871  18.375
  212    HZ2  LYS  28          2HZ       LYS  28  -3.205 -10.246  17.993
  213    HZ3  LYS  28          3HZ       LYS  28  -2.296 -11.219  16.950
  214    H    VAL  29           H        VAL  29  -7.288  -6.838  13.884
  215    HA   VAL  29           HA       VAL  29  -4.639  -5.676  13.698
  216    HB   VAL  29           HB       VAL  29  -5.954  -6.439  11.687
  217   HG11  VAL  29          1HG1      VAL  29  -7.653  -4.938  10.792
  218   HG12  VAL  29          2HG1      VAL  29  -8.133  -5.556  12.374
  219   HG13  VAL  29          3HG1      VAL  29  -7.513  -3.912  12.219
  220   HG21  VAL  29          1HG2      VAL  29  -5.502  -4.030  10.549
  221   HG22  VAL  29          2HG2      VAL  29  -4.560  -3.867  12.033
  222   HG23  VAL  29          3HG2      VAL  29  -4.232  -5.198  10.922
  223    H    PHE  30           H        PHE  30  -7.795  -4.786  14.816
  224    HA   PHE  30           HA       PHE  30  -7.411  -1.960  14.741
  225    HB2  PHE  30          2HB       PHE  30  -9.482  -3.813  15.588
  226    HB3  PHE  30          3HB       PHE  30  -9.298  -2.483  16.727
  227    HD1  PHE  30           HD1      PHE  30  -8.815  -0.152  15.269
  228    HD2  PHE  30           HD2      PHE  30 -11.214  -3.480  14.136
  229    HE1  PHE  30           HE1      PHE  30 -10.128   1.305  13.782
  230    HE2  PHE  30           HE2      PHE  30 -12.529  -2.030  12.646
  231    HZ   PHE  30           HZ       PHE  30 -11.987   0.366  12.467
  232    H    LYS  31           H        LYS  31  -7.152  -4.414  17.290
  233    HA   LYS  31           HA       LYS  31  -6.592  -2.788  19.453
  234    HB2  LYS  31          2HB       LYS  31  -5.258  -4.777  20.310
  235    HB3  LYS  31          3HB       LYS  31  -6.932  -5.089  19.872
  236    HG2  LYS  31          2HG       LYS  31  -6.338  -6.239  17.933
  237    HG3  LYS  31          3HG       LYS  31  -4.703  -5.570  17.929
  238    HD2  LYS  31          2HD       LYS  31  -4.611  -7.876  18.625
  239    HD3  LYS  31          3HD       LYS  31  -4.229  -6.841  20.004
  240    HE2  LYS  31          2HE       LYS  31  -6.304  -7.222  21.011
  241    HE3  LYS  31          3HE       LYS  31  -7.024  -7.813  19.515
  242    HZ1  LYS  31          1HZ       LYS  31  -4.766  -9.352  20.446
  243    HZ2  LYS  31          2HZ       LYS  31  -6.270  -9.874  19.877
  244    HZ3  LYS  31          3HZ       LYS  31  -6.100  -9.383  21.487
  245    H    GLN  32           H        GLN  32  -4.445  -3.901  16.894
  246    HA   GLN  32           HA       GLN  32  -2.063  -2.883  18.105
  247    HB2  GLN  32          2HB       GLN  32  -2.229  -4.741  16.364
  248    HB3  GLN  32          3HB       GLN  32  -2.450  -3.466  15.173
  249    HG2  GLN  32          2HG       GLN  32  -0.292  -2.714  15.373
  250    HG3  GLN  32          3HG       GLN  32  -0.109  -3.346  17.008
  251   HE21  GLN  32          1HE2      GLN  32   0.008  -4.073  13.620
  252   HE22  GLN  32          2HE2      GLN  32   0.772  -5.616  13.768
  253    H    TYR  33           H        TYR  33  -4.536  -1.591  16.038
  254    HA   TYR  33           HA       TYR  33  -2.998   0.695  15.199
  255    HB2  TYR  33          2HB       TYR  33  -5.798  -0.262  14.808
  256    HB3  TYR  33          3HB       TYR  33  -5.459   1.446  14.555
  257    HD1  TYR  33           HD1      TYR  33  -3.315  -1.500  13.789
  258    HD2  TYR  33           HD2      TYR  33  -5.617   1.727  12.243
  259    HE1  TYR  33           HE1      TYR  33  -2.492  -2.004  11.527
  260    HE2  TYR  33           HE2      TYR  33  -4.802   1.232   9.977
  261    HH   TYR  33           HH       TYR  33  -3.816  -0.469   8.706
  262    H    PHE  34           H        PHE  34  -5.450  -0.011  17.629
  263    HA   PHE  34           HA       PHE  34  -6.054   2.568  18.465
  264    HB2  PHE  34          2HB       PHE  34  -6.103  -0.116  19.768
  265    HB3  PHE  34          3HB       PHE  34  -6.302   1.305  20.788
  266    HD1  PHE  34           HD1      PHE  34  -8.012  -1.108  18.995
  267    HD2  PHE  34           HD2      PHE  34  -8.032   3.082  19.751
  268    HE1  PHE  34           HE1      PHE  34 -10.394  -1.013  18.387
  269    HE2  PHE  34           HE2      PHE  34 -10.414   3.183  19.144
  270    HZ   PHE  34           HZ       PHE  34 -11.599   1.135  18.461
  271    H    ASN  35           H        ASN  35  -3.228   0.627  19.046
  272    HA   ASN  35           HA       ASN  35  -2.213   2.054  21.270
  273    HB2  ASN  35          2HB       ASN  35  -1.486  -0.243  20.436
  274    HB3  ASN  35          3HB       ASN  35  -0.542   0.608  19.216
  275   HD21  ASN  35          1HD2      ASN  35   1.408  -0.123  20.002
  276   HD22  ASN  35          2HD2      ASN  35   2.082   0.436  21.492
  277    H    ASP  36           H        ASP  36  -2.284   2.702  17.884
  278    HA   ASP  36           HA       ASP  36  -0.086   4.522  17.806
  279    HB2  ASP  36          2HB       ASP  36  -1.087   3.321  15.818
  280    HB3  ASP  36          3HB       ASP  36  -2.440   4.443  15.914
  281    H    ASN  37           H        ASN  37  -3.610   4.928  18.014
  282    HA   ASN  37           HA       ASN  37  -3.372   7.792  18.305
  283    HB2  ASN  37          2HB       ASN  37  -5.891   6.261  18.868
  284    HB3  ASN  37          3HB       ASN  37  -5.701   7.868  18.174
  285   HD21  ASN  37          1HD2      ASN  37  -4.520   7.882  16.031
  286   HD22  ASN  37          2HD2      ASN  37  -4.968   6.654  14.901
  287    H    GLY  38           H        GLY  38  -3.425   5.043  20.364
  288    HA2  GLY  38          2HA       GLY  38  -3.010   4.950  22.640
  289    HA3  GLY  38          3HA       GLY  38  -3.038   6.707  22.682
  290    H    LEU  39           H        LEU  39  -5.730   5.177  21.209
  291    HA   LEU  39           HA       LEU  39  -7.342   5.754  23.605
  292    HB2  LEU  39          2HB       LEU  39  -8.307   5.633  20.756
  293    HB3  LEU  39          3HB       LEU  39  -9.197   6.206  22.165
  294    HG   LEU  39           HG       LEU  39  -6.695   7.605  21.312
  295   HD11  LEU  39          1HD1      LEU  39  -8.505   7.226  19.423
  296   HD12  LEU  39          2HD1      LEU  39  -7.679   8.771  19.621
  297   HD13  LEU  39          3HD1      LEU  39  -9.306   8.553  20.264
  298   HD21  LEU  39          1HD2      LEU  39  -7.798   9.512  22.332
  299   HD22  LEU  39          2HD2      LEU  39  -7.750   8.156  23.462
  300   HD23  LEU  39          3HD2      LEU  39  -9.248   8.548  22.616
  301    H    ASP  40           H        ASP  40  -9.474   4.453  23.578
  302    HA   ASP  40           HA       ASP  40  -9.253   1.789  22.467
  303    HB2  ASP  40          2HB       ASP  40  -9.673   0.832  24.846
  304    HB3  ASP  40          3HB       ASP  40  -8.027   1.251  24.376
  305    H    GLY  41           H        GLY  41 -11.207   1.326  21.720
  306    HA2  GLY  41          2HA       GLY  41 -13.550   1.913  23.372
  307    HA3  GLY  41          3HA       GLY  41 -13.497   2.623  21.765
  308    H    GLU  42           H        GLU  42 -15.384   1.464  21.188
  309    HA   GLU  42           HA       GLU  42 -14.912  -1.409  20.730
  310    HB2  GLU  42          2HB       GLU  42 -17.511   0.022  21.302
  311    HB3  GLU  42          3HB       GLU  42 -17.401  -1.659  20.800
  312    HG2  GLU  42          2HG       GLU  42 -15.665  -1.339  22.997
  313    HG3  GLU  42          3HG       GLU  42 -17.184  -0.545  23.411
  314    H    TRP  43           H        TRP  43 -15.746  -2.310  18.786
  315    HA   TRP  43           HA       TRP  43 -16.395  -0.343  16.696
  316    HB2  TRP  43          2HB       TRP  43 -14.944  -1.411  15.133
  317    HB3  TRP  43          3HB       TRP  43 -14.001  -1.149  16.597
  318    HD1  TRP  43           HD1      TRP  43 -13.772  -3.419  18.234
  319    HE1  TRP  43           HE1      TRP  43 -13.444  -5.868  17.514
  320    HE3  TRP  43           HE3      TRP  43 -15.400  -3.067  13.400
  321    HZ2  TRP  43           HZ2      TRP  43 -13.826  -7.443  15.201
  322    HZ3  TRP  43           HZ3      TRP  43 -15.387  -5.091  12.001
  323    HH2  TRP  43           HH2      TRP  43 -14.615  -7.233  12.885
  324    H    THR  44           H        THR  44 -18.055  -0.864  15.390
  325    HA   THR  44           HA       THR  44 -19.512  -3.310  15.978
  326    HB   THR  44           HB       THR  44 -21.337  -2.356  14.701
  327    HG1  THR  44           HG1      THR  44 -19.648  -0.132  14.149
  328   HG21  THR  44          1HG2      THR  44 -21.844  -1.230  16.554
  329   HG22  THR  44          2HG2      THR  44 -20.898   0.135  15.960
  330   HG23  THR  44          3HG2      THR  44 -20.137  -1.094  16.969
  331    H    TYR  45           H        TYR  45 -20.601  -4.396  14.041
  332    HA   TYR  45           HA       TYR  45 -18.794  -4.535  11.731
  333    HB2  TYR  45          2HB       TYR  45 -19.233  -7.084  11.814
  334    HB3  TYR  45          3HB       TYR  45 -18.041  -6.403  12.916
  335    HD1  TYR  45           HD1      TYR  45 -21.236  -8.100  12.628
  336    HD2  TYR  45           HD2      TYR  45 -18.593  -6.126  15.316
  337    HE1  TYR  45           HE1      TYR  45 -22.441  -9.090  14.530
  338    HE2  TYR  45           HE2      TYR  45 -19.789  -7.111  17.225
  339    HH   TYR  45           HH       TYR  45 -21.971  -9.655  16.914
  340    H    ASP  46           H        ASP  46 -20.094  -3.767  10.177
  341    HA   ASP  46           HA       ASP  46 -22.807  -4.893   9.956
  342    HB2  ASP  46          2HB       ASP  46 -21.864  -2.379   8.589
  343    HB3  ASP  46          3HB       ASP  46 -23.517  -2.903   8.897
  344    H    ASP  47           H        ASP  47 -22.253  -6.740   8.805
  345    HA   ASP  47           HA       ASP  47 -20.623  -6.682   6.469
  346    HB2  ASP  47          2HB       ASP  47 -21.576  -8.662   8.112
  347    HB3  ASP  47          3HB       ASP  47 -22.554  -8.886   6.665
  348    H    ALA  48           H        ALA  48 -23.959  -6.071   7.097
  349    HA   ALA  48           HA       ALA  48 -25.178  -6.660   4.689
  350    HB1  ALA  48          1HB       ALA  48 -26.397  -4.315   5.406
  351    HB2  ALA  48          2HB       ALA  48 -26.809  -5.915   6.024
  352    HB3  ALA  48          3HB       ALA  48 -25.713  -4.874   6.934
  353    H    THR  49           H        THR  49 -23.078  -3.978   5.509
  354    HA   THR  49           HA       THR  49 -23.164  -3.128   2.690
  355    HB   THR  49           HB       THR  49 -24.278  -1.391   3.885
  356    HG1  THR  49           HG1      THR  49 -23.017   0.248   3.218
  357   HG21  THR  49          1HG2      THR  49 -22.516  -2.141   6.007
  358   HG22  THR  49          2HG2      THR  49 -23.932  -1.091   6.065
  359   HG23  THR  49          3HG2      THR  49 -22.345  -0.413   5.703
  360    H    LYS  50           H        LYS  50 -21.329  -4.468   5.065
  361    HA   LYS  50           HA       LYS  50 -19.108  -4.892   5.307
  362    HB2  LYS  50          2HB       LYS  50 -18.825  -3.663   2.560
  363    HB3  LYS  50          3HB       LYS  50 -17.676  -4.731   3.356
  364    HG2  LYS  50          2HG       LYS  50 -18.691  -6.263   2.045
  365    HG3  LYS  50          3HG       LYS  50 -19.811  -6.323   3.408
  366    HD2  LYS  50          2HD       LYS  50 -21.429  -5.087   2.295
  367    HD3  LYS  50          3HD       LYS  50 -20.262  -4.384   1.173
  368    HE2  LYS  50          2HE       LYS  50 -20.488  -7.308   1.046
  369    HE3  LYS  50          3HE       LYS  50 -21.948  -6.436   0.583
  370    HZ1  LYS  50          1HZ       LYS  50 -19.327  -6.493  -0.710
  371    HZ2  LYS  50          2HZ       LYS  50 -20.205  -5.051  -0.792
  372    HZ3  LYS  50          3HZ       LYS  50 -20.871  -6.482  -1.401
  373    H    THR  51           H        THR  51 -19.927  -2.676   6.598
  374    HA   THR  51           HA       THR  51 -17.538  -1.008   6.506
  375    HB   THR  51           HB       THR  51 -20.336   0.093   6.240
  376    HG1  THR  51           HG1      THR  51 -19.526  -0.120   4.241
  377   HG21  THR  51          1HG2      THR  51 -19.563   1.625   7.746
  378   HG22  THR  51          2HG2      THR  51 -18.858   2.309   6.281
  379   HG23  THR  51          3HG2      THR  51 -17.871   1.317   7.354
  380    H    PHE  52           H        PHE  52 -16.937  -0.200   8.475
  381    HA   PHE  52           HA       PHE  52 -18.639  -0.962  10.755
  382    HB2  PHE  52          2HB       PHE  52 -15.656  -0.535  10.872
  383    HB3  PHE  52          3HB       PHE  52 -16.685  -1.341  12.051
  384    HD1  PHE  52           HD1      PHE  52 -18.277  -3.069  10.215
  385    HD2  PHE  52           HD2      PHE  52 -14.111  -2.201  10.342
  386    HE1  PHE  52           HE1      PHE  52 -17.796  -5.236   9.153
  387    HE2  PHE  52           HE2      PHE  52 -13.624  -4.366   9.279
  388    HZ   PHE  52           HZ       PHE  52 -15.468  -5.886   8.683
  389    H    THR  53           H        THR  53 -18.937   0.479  12.442
  390    HA   THR  53           HA       THR  53 -18.080   3.248  11.899
  391    HB   THR  53           HB       THR  53 -20.428   3.227  11.628
  392    HG1  THR  53           HG1      THR  53 -20.319   4.959  12.850
  393   HG21  THR  53          1HG2      THR  53 -21.978   2.240  13.237
  394   HG22  THR  53          2HG2      THR  53 -20.622   1.706  14.232
  395   HG23  THR  53          3HG2      THR  53 -20.859   1.024  12.623
  396    H    VAL  54           H        VAL  54 -16.944   4.263  13.429
  397    HA   VAL  54           HA       VAL  54 -17.007   3.219  16.175
  398    HB   VAL  54           HB       VAL  54 -14.498   3.918  14.642
  399   HG11  VAL  54          1HG1      VAL  54 -13.823   4.555  16.703
  400   HG12  VAL  54          2HG1      VAL  54 -15.071   3.613  17.523
  401   HG13  VAL  54          3HG1      VAL  54 -13.613   2.818  16.927
  402   HG21  VAL  54          1HG2      VAL  54 -15.734   1.640  14.335
  403   HG22  VAL  54          2HG2      VAL  54 -13.985   1.671  14.559
  404   HG23  VAL  54          3HG2      VAL  54 -15.041   1.271  15.914
  405    H    THR  55           H        THR  55 -16.735   4.730  17.793
  406    HA   THR  55           HA       THR  55 -16.136   7.490  17.091
  407    HB   THR  55           HB       THR  55 -18.682   6.914  18.596
  408    HG1  THR  55           HG1      THR  55 -19.700   6.678  16.751
  409   HG21  THR  55          1HG2      THR  55 -19.097   9.294  17.577
  410   HG22  THR  55          2HG2      THR  55 -17.338   9.328  17.459
  411   HG23  THR  55          3HG2      THR  55 -18.114   9.108  19.028
  412    H    GLU  56           H        GLU  56 -15.282   8.660  18.763
  413    HA   GLU  56           HA       GLU  56 -14.904   7.197  21.288
  414    HB2  GLU  56          2HB       GLU  56 -12.915   7.909  19.763
  415    HB3  GLU  56          3HB       GLU  56 -13.200   9.511  20.431
  416    HG2  GLU  56          2HG       GLU  56 -11.444   8.269  21.620
  417    HG3  GLU  56          3HG       GLU  56 -12.797   8.714  22.659
  Start of MODEL    7
    1    H1   MET   1           H        MET   1 -10.650 -10.838   3.069
    2    HA   MET   1           HA       MET   1 -12.963 -10.248   1.357
    3    HB2  MET   1          2HB       MET   1 -13.363 -11.578   3.623
    4    HB3  MET   1          3HB       MET   1 -13.276  -9.960   4.307
    5    HG2  MET   1          2HG       MET   1 -15.557 -10.422   3.909
    6    HG3  MET   1          3HG       MET   1 -15.042  -9.272   2.676
    7    HE1  MET   1          1HE       MET   1 -17.448 -10.185   1.092
    8    HE2  MET   1          2HE       MET   1 -15.961  -9.323   0.696
    9    HE3  MET   1          3HE       MET   1 -16.486 -10.680  -0.301
   10    H    THR   2           H        THR   2 -13.809  -8.072   1.619
   11    HA   THR   2           HA       THR   2 -11.745  -6.192   2.568
   12    HB   THR   2           HB       THR   2 -13.680  -5.876   0.267
   13    HG1  THR   2           HG1      THR   2 -11.535  -7.105   0.152
   14   HG21  THR   2          1HG2      THR   2 -13.435  -3.753   1.425
   15   HG22  THR   2          2HG2      THR   2 -12.566  -3.706  -0.109
   16   HG23  THR   2          3HG2      THR   2 -11.680  -3.918   1.399
   17    H    PHE   3           H        PHE   3 -12.367  -4.409   3.746
   18    HA   PHE   3           HA       PHE   3 -15.199  -3.968   4.269
   19    HB2  PHE   3          2HB       PHE   3 -13.192  -4.783   6.363
   20    HB3  PHE   3          3HB       PHE   3 -14.648  -3.882   6.776
   21    HD1  PHE   3           HD1      PHE   3 -13.248  -7.096   6.121
   22    HD2  PHE   3           HD2      PHE   3 -16.892  -4.897   6.147
   23    HE1  PHE   3           HE1      PHE   3 -14.514  -9.203   6.218
   24    HE2  PHE   3           HE2      PHE   3 -18.164  -7.001   6.245
   25    HZ   PHE   3           HZ       PHE   3 -16.976  -9.158   6.280
   26    H    LYS   4           H        LYS   4 -15.454  -2.025   5.796
   27    HA   LYS   4           HA       LYS   4 -13.272  -0.095   5.501
   28    HB2  LYS   4          2HB       LYS   4 -14.496   0.526   3.615
   29    HB3  LYS   4          3HB       LYS   4 -16.040   0.164   4.377
   30    HG2  LYS   4          2HG       LYS   4 -15.945   2.135   5.699
   31    HG3  LYS   4          3HG       LYS   4 -14.269   2.438   5.232
   32    HD2  LYS   4          2HD       LYS   4 -16.128   2.206   2.978
   33    HD3  LYS   4          3HD       LYS   4 -16.456   3.568   4.052
   34    HE2  LYS   4          2HE       LYS   4 -13.757   3.733   3.789
   35    HE3  LYS   4          3HE       LYS   4 -14.216   3.105   2.207
   36    HZ1  LYS   4          1HZ       LYS   4 -14.265   5.710   2.934
   37    HZ2  LYS   4          2HZ       LYS   4 -15.886   5.262   3.113
   38    HZ3  LYS   4          3HZ       LYS   4 -15.109   5.047   1.625
   39    H    ALA   5           H        ALA   5 -12.849   0.357   7.570
   40    HA   ALA   5           HA       ALA   5 -15.071   0.693   9.451
   41    HB1  ALA   5          1HB       ALA   5 -12.812  -0.706   9.777
   42    HB2  ALA   5          2HB       ALA   5 -12.280   0.851  10.413
   43    HB3  ALA   5          3HB       ALA   5 -13.682   0.042  11.115
   44    H    ILE   6           H        ILE   6 -15.779   2.667   9.883
   45    HA   ILE   6           HA       ILE   6 -14.137   4.976   9.189
   46    HB   ILE   6           HB       ILE   6 -17.043   4.694   9.929
   47   HG12  ILE   6          2HG1      ILE   6 -17.172   5.881   7.618
   48   HG13  ILE   6          3HG1      ILE   6 -15.502   5.354   7.435
   49   HG21  ILE   6          1HG2      ILE   6 -16.597   6.717  10.942
   50   HG22  ILE   6          2HG2      ILE   6 -15.332   7.136   9.788
   51   HG23  ILE   6          3HG2      ILE   6 -17.026   7.223   9.309
   52   HD11  ILE   6          1HD1      ILE   6 -17.684   3.425   8.129
   53   HD12  ILE   6          2HD1      ILE   6 -17.338   3.880   6.461
   54   HD13  ILE   6          3HD1      ILE   6 -16.094   3.101   7.438
   55    H    ILE   7           H        ILE   7 -13.407   6.478  10.626
   56    HA   ILE   7           HA       ILE   7 -13.948   5.980  13.479
   57    HB   ILE   7           HB       ILE   7 -11.487   7.079  13.594
   58   HG12  ILE   7          2HG1      ILE   7 -11.189   5.153  11.313
   59   HG13  ILE   7          3HG1      ILE   7 -11.520   6.851  10.992
   60   HG21  ILE   7          1HG2      ILE   7 -12.161   4.154  13.316
   61   HG22  ILE   7          2HG2      ILE   7 -10.650   4.782  13.973
   62   HG23  ILE   7          3HG2      ILE   7 -12.173   5.107  14.800
   63   HD11  ILE   7          1HD1      ILE   7  -9.094   5.575  12.137
   64   HD12  ILE   7          2HD1      ILE   7  -9.241   6.824  10.901
   65   HD13  ILE   7          3HD1      ILE   7  -9.492   7.230  12.598
   66    H    ASN   8           H        ASN   8 -14.387   7.726  14.718
   67    HA   ASN   8           HA       ASN   8 -13.770  10.401  13.781
   68    HB2  ASN   8          2HB       ASN   8 -16.484   9.235  13.699
   69    HB3  ASN   8          3HB       ASN   8 -16.372  10.835  14.426
   70   HD21  ASN   8          1HD2      ASN   8 -17.288   9.546  11.744
   71   HD22  ASN   8          2HD2      ASN   8 -16.674  10.654  10.570
   72    H    GLY   9           H        GLY   9 -12.943  11.400  15.487
   73    HA2  GLY   9          2HA       GLY   9 -13.847  10.596  18.170
   74    HA3  GLY   9          3HA       GLY   9 -12.318  11.381  17.801
   75    H    LYS  10           H        LYS  10 -13.221  12.649  19.726
   76    HA   LYS  10           HA       LYS  10 -15.371  14.372  19.583
   77    HB2  LYS  10          2HB       LYS  10 -13.627  13.920  21.485
   78    HB3  LYS  10          3HB       LYS  10 -12.795  15.307  20.796
   79    HG2  LYS  10          2HG       LYS  10 -14.965  16.575  21.053
   80    HG3  LYS  10          3HG       LYS  10 -15.537  15.211  22.016
   81    HD2  LYS  10          2HD       LYS  10 -13.037  16.792  22.604
   82    HD3  LYS  10          3HD       LYS  10 -14.600  17.069  23.375
   83    HE2  LYS  10          2HE       LYS  10 -14.551  14.687  24.137
   84    HE3  LYS  10          3HE       LYS  10 -12.903  14.582  23.518
   85    HZ1  LYS  10          1HZ       LYS  10 -12.600  15.090  25.735
   86    HZ2  LYS  10          2HZ       LYS  10 -13.925  16.139  25.801
   87    HZ3  LYS  10          3HZ       LYS  10 -12.505  16.619  25.015
   88    H    THR  11           H        THR  11 -12.022  15.012  18.559
   89    HA   THR  11           HA       THR  11 -13.050  16.978  16.646
   90    HB   THR  11           HB       THR  11 -10.586  17.631  18.238
   91    HG1  THR  11           HG1      THR  11 -12.461  17.368  19.651
   92   HG21  THR  11          1HG2      THR  11 -10.565  19.254  16.693
   93   HG22  THR  11          2HG2      THR  11 -11.929  19.946  17.573
   94   HG23  THR  11          3HG2      THR  11 -12.215  18.901  16.181
   95    H    LEU  12           H        LEU  12 -11.939  14.238  16.482
   96    HA   LEU  12           HA       LEU  12  -9.645  14.831  14.732
   97    HB2  LEU  12          2HB       LEU  12  -8.536  12.912  15.398
   98    HB3  LEU  12          3HB       LEU  12  -9.208  13.534  16.904
   99    HG   LEU  12           HG       LEU  12 -11.167  11.839  16.238
  100   HD11  LEU  12          1HD1      LEU  12 -10.640  10.444  14.601
  101   HD12  LEU  12          2HD1      LEU  12  -9.277   9.863  15.556
  102   HD13  LEU  12          3HD1      LEU  12  -9.055  11.200  14.428
  103   HD21  LEU  12          1HD2      LEU  12  -8.803  10.541  17.454
  104   HD22  LEU  12          2HD2      LEU  12 -10.469  10.632  18.025
  105   HD23  LEU  12          3HD2      LEU  12  -9.390  12.015  18.224
  106    H    LYS  13           H        LYS  13  -9.753  14.110  12.687
  107    HA   LYS  13           HA       LYS  13 -12.220  12.933  11.775
  108    HB2  LYS  13          2HB       LYS  13  -9.753  13.994  10.445
  109    HB3  LYS  13          3HB       LYS  13 -10.882  13.008   9.527
  110    HG2  LYS  13          2HG       LYS  13 -11.697  15.081   9.064
  111    HG3  LYS  13          3HG       LYS  13 -12.642  14.701  10.505
  112    HD2  LYS  13          2HD       LYS  13 -11.893  16.812  11.023
  113    HD3  LYS  13          3HD       LYS  13 -10.619  15.825  11.745
  114    HE2  LYS  13          2HE       LYS  13  -9.444  16.083   9.462
  115    HE3  LYS  13          3HE       LYS  13 -10.569  17.416   9.204
  116    HZ1  LYS  13          1HZ       LYS  13  -9.699  18.107  11.562
  117    HZ2  LYS  13          2HZ       LYS  13  -8.843  18.516  10.163
  118    HZ3  LYS  13          3HZ       LYS  13  -8.350  17.198  11.100
  119    H    GLY  14           H        GLY  14 -12.053  11.126  10.080
  120    HA2  GLY  14          2HA       GLY  14  -9.951   9.255  10.160
  121    HA3  GLY  14          3HA       GLY  14 -11.165   8.786  11.341
  122    H    GLU  15           H        GLU  15 -10.168   7.888   8.504
  123    HA   GLU  15           HA       GLU  15 -12.534   6.603   7.736
  124    HB2  GLU  15          2HB       GLU  15 -12.851   7.833   5.525
  125    HB3  GLU  15          3HB       GLU  15 -13.439   8.641   6.972
  126    HG2  GLU  15          2HG       GLU  15 -11.889  10.292   6.855
  127    HG3  GLU  15          3HG       GLU  15 -10.678   9.256   6.104
  128    H    THR  16           H        THR  16 -11.680   4.784   7.003
  129    HA   THR  16           HA       THR  16 -10.028   4.703   4.692
  130    HB   THR  16           HB       THR  16  -8.246   5.319   6.212
  131    HG1  THR  16           HG1      THR  16  -6.915   3.477   5.865
  132   HG21  THR  16          1HG2      THR  16  -9.403   4.483   8.278
  133   HG22  THR  16          2HG2      THR  16  -7.689   4.081   8.180
  134   HG23  THR  16          3HG2      THR  16  -8.904   2.855   7.822
  135    H    THR  17           H        THR  17  -9.606   2.538   3.966
  136    HA   THR  17           HA       THR  17 -11.434   0.582   5.187
  137    HB   THR  17           HB       THR  17 -11.625  -0.487   3.050
  138    HG1  THR  17           HG1      THR  17  -9.751   1.403   2.033
  139   HG21  THR  17          1HG2      THR  17 -12.835   1.122   1.895
  140   HG22  THR  17          2HG2      THR  17 -11.702   2.411   2.297
  141   HG23  THR  17          3HG2      THR  17 -12.798   1.784   3.528
  142    H    THR  18           H        THR  18 -10.740  -1.762   4.679
  143    HA   THR  18           HA       THR  18  -7.927  -2.288   4.531
  144    HB   THR  18           HB       THR  18  -8.019  -1.573   6.863
  145    HG1  THR  18           HG1      THR  18  -6.822  -3.238   7.514
  146   HG21  THR  18          1HG2      THR  18  -9.559  -2.248   8.389
  147   HG22  THR  18          2HG2      THR  18  -9.691  -3.866   7.698
  148   HG23  THR  18          3HG2      THR  18 -10.534  -2.512   6.944
  149    H    GLU  19           H        GLU  19  -7.440  -4.552   4.471
  150    HA   GLU  19           HA       GLU  19  -9.735  -6.140   3.609
  151    HB2  GLU  19          2HB       GLU  19  -7.941  -6.123   2.037
  152    HB3  GLU  19          3HB       GLU  19  -6.758  -6.493   3.283
  153    HG2  GLU  19          2HG       GLU  19  -8.770  -8.536   3.197
  154    HG3  GLU  19          3HG       GLU  19  -8.083  -8.282   1.593
  155    H    ALA  20           H        ALA  20 -10.584  -7.705   4.810
  156    HA   ALA  20           HA       ALA  20  -8.955  -8.911   6.939
  157    HB1  ALA  20          1HB       ALA  20 -10.232  -7.427   8.197
  158    HB2  ALA  20          2HB       ALA  20 -11.668  -7.667   7.201
  159    HB3  ALA  20          3HB       ALA  20 -11.137  -8.937   8.303
  160    H    VAL  21           H        VAL  21  -9.915 -10.962   7.766
  161    HA   VAL  21           HA       VAL  21 -11.093 -12.461   5.531
  162    HB   VAL  21           HB       VAL  21  -9.599 -13.482   7.951
  163   HG11  VAL  21          1HG1      VAL  21  -9.611 -15.641   6.719
  164   HG12  VAL  21          2HG1      VAL  21 -11.212 -15.117   7.245
  165   HG13  VAL  21          3HG1      VAL  21 -10.730 -14.927   5.559
  166   HG21  VAL  21          1HG2      VAL  21  -8.748 -13.355   5.060
  167   HG22  VAL  21          2HG2      VAL  21  -8.192 -12.266   6.331
  168   HG23  VAL  21          3HG2      VAL  21  -7.799 -13.984   6.407
  169    H    ASP  22           H        ASP  22 -11.337 -12.037   9.046
  170    HA   ASP  22           HA       ASP  22 -14.158 -12.824   8.869
  171    HB2  ASP  22          2HB       ASP  22 -12.230 -13.785  10.994
  172    HB3  ASP  22          3HB       ASP  22 -13.962 -14.101  10.963
  173    H    ALA  23           H        ALA  23 -15.109 -12.424  11.265
  174    HA   ALA  23           HA       ALA  23 -15.061  -9.615  11.604
  175    HB1  ALA  23          1HB       ALA  23 -16.263 -11.841  13.228
  176    HB2  ALA  23          2HB       ALA  23 -16.428 -10.141  13.673
  177    HB3  ALA  23          3HB       ALA  23 -17.075 -10.718  12.136
  178    H    ALA  24           H        ALA  24 -13.162 -12.160  12.923
  179    HA   ALA  24           HA       ALA  24 -12.280 -10.628  15.223
  180    HB1  ALA  24          1HB       ALA  24 -11.669 -13.365  14.169
  181    HB2  ALA  24          2HB       ALA  24 -10.673 -12.635  15.429
  182    HB3  ALA  24          3HB       ALA  24 -12.394 -12.898  15.708
  183    H    THR  25           H        THR  25 -11.135 -11.483  12.022
  184    HA   THR  25           HA       THR  25  -8.451 -10.893  12.187
  185    HB   THR  25           HB       THR  25 -10.321 -10.273   9.894
  186    HG1  THR  25           HG1      THR  25 -10.062 -12.525  10.677
  187   HG21  THR  25          1HG2      THR  25  -7.558  -9.638  10.254
  188   HG22  THR  25          2HG2      THR  25  -8.585  -9.354   8.847
  189   HG23  THR  25          3HG2      THR  25  -7.705 -10.874   9.005
  190    H    ALA  26           H        ALA  26 -11.159  -8.653  11.760
  191    HA   ALA  26           HA       ALA  26  -9.462  -6.342  11.570
  192    HB1  ALA  26          1HB       ALA  26 -11.992  -5.422  12.189
  193    HB2  ALA  26          2HB       ALA  26 -11.329  -5.650  10.570
  194    HB3  ALA  26          3HB       ALA  26 -12.294  -6.925  11.314
  195    H    GLU  27           H        GLU  27 -10.973  -8.131  14.117
  196    HA   GLU  27           HA       GLU  27 -10.858  -6.021  16.064
  197    HB2  GLU  27          2HB       GLU  27 -12.539  -7.643  16.436
  198    HB3  GLU  27          3HB       GLU  27 -11.413  -8.976  16.221
  199    HG2  GLU  27          2HG       GLU  27 -10.338  -8.477  18.309
  200    HG3  GLU  27          3HG       GLU  27 -11.316  -7.024  18.508
  201    H    LYS  28           H        LYS  28  -8.818  -8.689  15.073
  202    HA   LYS  28           HA       LYS  28  -6.996  -8.369  17.293
  203    HB2  LYS  28          2HB       LYS  28  -6.867 -10.047  14.785
  204    HB3  LYS  28          3HB       LYS  28  -5.625 -10.055  16.030
  205    HG2  LYS  28          2HG       LYS  28  -7.723 -10.566  17.575
  206    HG3  LYS  28          3HG       LYS  28  -8.350 -11.209  16.056
  207    HD2  LYS  28          2HD       LYS  28  -6.506 -12.716  15.851
  208    HD3  LYS  28          3HD       LYS  28  -5.665 -11.956  17.204
  209    HE2  LYS  28          2HE       LYS  28  -6.602 -13.946  18.059
  210    HE3  LYS  28          3HE       LYS  28  -7.635 -12.639  18.637
  211    HZ1  LYS  28          1HZ       LYS  28  -8.400 -13.848  16.108
  212    HZ2  LYS  28          2HZ       LYS  28  -9.364 -13.340  17.401
  213    HZ3  LYS  28          3HZ       LYS  28  -8.570 -14.832  17.474
  214    H    VAL  29           H        VAL  29  -7.341  -7.165  14.070
  215    HA   VAL  29           HA       VAL  29  -4.592  -6.266  13.879
  216    HB   VAL  29           HB       VAL  29  -6.088  -7.008  11.914
  217   HG11  VAL  29          1HG1      VAL  29  -7.674  -5.612  11.061
  218   HG12  VAL  29          2HG1      VAL  29  -7.823  -5.192  12.769
  219   HG13  VAL  29          3HG1      VAL  29  -6.890  -4.160  11.685
  220   HG21  VAL  29          1HG2      VAL  29  -4.643  -4.386  11.593
  221   HG22  VAL  29          2HG2      VAL  29  -3.818  -5.933  11.792
  222   HG23  VAL  29          3HG2      VAL  29  -4.854  -5.658  10.391
  223    H    PHE  30           H        PHE  30  -7.634  -5.050  14.958
  224    HA   PHE  30           HA       PHE  30  -7.017  -2.272  14.704
  225    HB2  PHE  30          2HB       PHE  30  -9.232  -3.891  15.680
  226    HB3  PHE  30          3HB       PHE  30  -8.935  -2.490  16.705
  227    HD1  PHE  30           HD1      PHE  30  -8.191  -0.383  14.955
  228    HD2  PHE  30           HD2      PHE  30 -11.021  -3.496  14.305
  229    HE1  PHE  30           HE1      PHE  30  -9.389   1.046  13.349
  230    HE2  PHE  30           HE2      PHE  30 -12.223  -2.072  12.698
  231    HZ   PHE  30           HZ       PHE  30 -11.407   0.201  12.217
  232    H    LYS  31           H        LYS  31  -6.398  -4.730  17.070
  233    HA   LYS  31           HA       LYS  31  -6.000  -3.228  19.370
  234    HB2  LYS  31          2HB       LYS  31  -4.744  -5.052  20.210
  235    HB3  LYS  31          3HB       LYS  31  -5.940  -5.752  19.127
  236    HG2  LYS  31          2HG       LYS  31  -4.148  -6.894  18.380
  237    HG3  LYS  31          3HG       LYS  31  -3.923  -5.446  17.398
  238    HD2  LYS  31          2HD       LYS  31  -1.820  -5.704  18.298
  239    HD3  LYS  31          3HD       LYS  31  -2.561  -4.615  19.474
  240    HE2  LYS  31          2HE       LYS  31  -3.265  -6.940  20.570
  241    HE3  LYS  31          3HE       LYS  31  -1.811  -7.473  19.727
  242    HZ1  LYS  31          1HZ       LYS  31  -1.385  -5.022  21.115
  243    HZ2  LYS  31          2HZ       LYS  31  -0.534  -6.479  21.227
  244    HZ3  LYS  31          3HZ       LYS  31  -1.919  -6.233  22.167
  245    H    GLN  32           H        GLN  32  -4.064  -3.457  16.504
  246    HA   GLN  32           HA       GLN  32  -1.748  -2.230  17.749
  247    HB2  GLN  32          2HB       GLN  32  -2.275  -2.921  14.854
  248    HB3  GLN  32          3HB       GLN  32  -0.737  -2.382  15.514
  249    HG2  GLN  32          2HG       GLN  32  -2.115  -4.858  16.498
  250    HG3  GLN  32          3HG       GLN  32  -1.028  -4.871  15.110
  251   HE21  GLN  32          1HE2      GLN  32   0.678  -5.953  15.874
  252   HE22  GLN  32          2HE2      GLN  32   1.604  -5.492  17.256
  253    H    TYR  33           H        TYR  33  -4.524  -1.306  15.893
  254    HA   TYR  33           HA       TYR  33  -3.472   1.260  15.111
  255    HB2  TYR  33          2HB       TYR  33  -6.105  -0.136  14.842
  256    HB3  TYR  33          3HB       TYR  33  -6.032   1.607  14.606
  257    HD1  TYR  33           HD1      TYR  33  -3.983  -1.352  13.569
  258    HD2  TYR  33           HD2      TYR  33  -5.915   2.256  12.405
  259    HE1  TYR  33           HE1      TYR  33  -3.231  -1.703  11.254
  260    HE2  TYR  33           HE2      TYR  33  -5.169   1.914  10.086
  261    HH   TYR  33           HH       TYR  33  -3.019   0.500   9.036
  262    H    PHE  34           H        PHE  34  -5.707   0.031  17.561
  263    HA   PHE  34           HA       PHE  34  -6.634   2.434  18.593
  264    HB2  PHE  34          2HB       PHE  34  -6.172  -0.268  19.824
  265    HB3  PHE  34          3HB       PHE  34  -6.753   1.075  20.802
  266    HD1  PHE  34           HD1      PHE  34  -7.878  -1.731  19.387
  267    HD2  PHE  34           HD2      PHE  34  -8.653   2.451  19.210
  268    HE1  PHE  34           HE1      PHE  34 -10.178  -2.192  18.643
  269    HE2  PHE  34           HE2      PHE  34 -10.954   1.996  18.467
  270    HZ   PHE  34           HZ       PHE  34 -11.719  -0.328  18.183
  271    H    ASN  35           H        ASN  35  -3.545   0.883  18.977
  272    HA   ASN  35           HA       ASN  35  -2.660   2.263  21.273
  273    HB2  ASN  35          2HB       ASN  35  -1.619   0.197  20.213
  274    HB3  ASN  35          3HB       ASN  35  -0.887   1.283  19.036
  275   HD21  ASN  35          1HD2      ASN  35   0.848   2.495  19.604
  276   HD22  ASN  35          2HD2      ASN  35   1.639   2.383  21.136
  277    H    ASP  36           H        ASP  36  -2.920   3.169  17.943
  278    HA   ASP  36           HA       ASP  36  -1.035   5.201  17.752
  279    HB2  ASP  36          2HB       ASP  36  -2.450   4.297  15.882
  280    HB3  ASP  36          3HB       ASP  36  -3.791   5.249  16.513
  281    H    ASN  37           H        ASN  37  -4.398   5.374  18.885
  282    HA   ASN  37           HA       ASN  37  -3.949   8.126  19.772
  283    HB2  ASN  37          2HB       ASN  37  -5.991   7.779  18.524
  284    HB3  ASN  37          3HB       ASN  37  -6.467   6.460  19.589
  285   HD21  ASN  37          1HD2      ASN  37  -6.095   9.905  19.278
  286   HD22  ASN  37          2HD2      ASN  37  -7.053  10.333  20.650
  287    H    GLY  38           H        GLY  38  -4.149   4.915  20.974
  288    HA2  GLY  38          2HA       GLY  38  -3.593   4.175  23.106
  289    HA3  GLY  38          3HA       GLY  38  -3.566   5.846  23.649
  290    H    LEU  39           H        LEU  39  -6.338   4.675  21.939
  291    HA   LEU  39           HA       LEU  39  -7.819   4.509  24.481
  292    HB2  LEU  39          2HB       LEU  39  -8.379   6.026  22.002
  293    HB3  LEU  39          3HB       LEU  39  -9.754   5.265  22.799
  294    HG   LEU  39           HG       LEU  39  -9.392   7.658  23.400
  295   HD11  LEU  39          1HD1      LEU  39  -9.011   5.941  25.823
  296   HD12  LEU  39          2HD1      LEU  39 -10.486   5.846  24.861
  297   HD13  LEU  39          3HD1      LEU  39 -10.024   7.371  25.618
  298   HD21  LEU  39          1HD2      LEU  39  -6.778   7.097  23.496
  299   HD22  LEU  39          2HD2      LEU  39  -7.173   6.907  25.204
  300   HD23  LEU  39          3HD2      LEU  39  -7.508   8.434  24.386
  301    H    ASP  40           H        ASP  40  -8.896   2.677  24.800
  302    HA   ASP  40           HA       ASP  40  -8.994   0.709  22.663
  303    HB2  ASP  40          2HB       ASP  40  -9.421   0.629  25.630
  304    HB3  ASP  40          3HB       ASP  40 -10.016  -0.688  24.622
  305    H    GLY  41           H        GLY  41 -10.591   2.326  21.614
  306    HA2  GLY  41          2HA       GLY  41 -13.246   2.465  22.625
  307    HA3  GLY  41          3HA       GLY  41 -12.739   2.860  20.989
  308    H    GLU  42           H        GLU  42 -15.035   1.801  20.867
  309    HA   GLU  42           HA       GLU  42 -14.673  -1.092  20.441
  310    HB2  GLU  42          2HB       GLU  42 -17.200   0.444  21.074
  311    HB3  GLU  42          3HB       GLU  42 -17.139  -1.272  20.698
  312    HG2  GLU  42          2HG       GLU  42 -15.294  -0.955  22.741
  313    HG3  GLU  42          3HG       GLU  42 -16.636   0.095  23.191
  314    H    TRP  43           H        TRP  43 -15.541  -2.029  18.564
  315    HA   TRP  43           HA       TRP  43 -16.343  -0.136  16.457
  316    HB2  TRP  43          2HB       TRP  43 -14.948  -1.200  14.852
  317    HB3  TRP  43          3HB       TRP  43 -13.937  -0.916  16.266
  318    HD1  TRP  43           HD1      TRP  43 -13.592  -3.164  17.906
  319    HE1  TRP  43           HE1      TRP  43 -13.287  -5.620  17.197
  320    HE3  TRP  43           HE3      TRP  43 -15.496  -2.884  13.170
  321    HZ2  TRP  43           HZ2      TRP  43 -13.786  -7.224  14.930
  322    HZ3  TRP  43           HZ3      TRP  43 -15.546  -4.924  11.797
  323    HH2  TRP  43           HH2      TRP  43 -14.708  -7.049  12.659
  324    H    THR  44           H        THR  44 -18.047  -0.736  15.239
  325    HA   THR  44           HA       THR  44 -19.430  -3.182  15.984
  326    HB   THR  44           HB       THR  44 -20.437  -1.178  13.980
  327    HG1  THR  44           HG1      THR  44 -21.512  -0.364  16.066
  328   HG21  THR  44          1HG2      THR  44 -22.616  -1.890  15.157
  329   HG22  THR  44          2HG2      THR  44 -21.661  -3.225  15.804
  330   HG23  THR  44          3HG2      THR  44 -21.851  -3.039  14.061
  331    H    TYR  45           H        TYR  45 -20.401  -4.559  14.312
  332    HA   TYR  45           HA       TYR  45 -18.714  -4.723  11.900
  333    HB2  TYR  45          2HB       TYR  45 -19.263  -7.257  12.093
  334    HB3  TYR  45          3HB       TYR  45 -18.012  -6.574  13.127
  335    HD1  TYR  45           HD1      TYR  45 -21.290  -8.134  13.013
  336    HD2  TYR  45           HD2      TYR  45 -18.467  -6.179  15.525
  337    HE1  TYR  45           HE1      TYR  45 -22.474  -8.984  14.994
  338    HE2  TYR  45           HE2      TYR  45 -19.643  -7.024  17.513
  339    HH   TYR  45           HH       TYR  45 -21.879  -7.823  18.128
  340    H    ASP  46           H        ASP  46 -20.066  -3.837  10.420
  341    HA   ASP  46           HA       ASP  46 -22.775  -4.965  10.196
  342    HB2  ASP  46          2HB       ASP  46 -21.856  -2.476   8.783
  343    HB3  ASP  46          3HB       ASP  46 -23.496  -2.965   9.202
  344    H    ASP  47           H        ASP  47 -22.263  -6.812   9.031
  345    HA   ASP  47           HA       ASP  47 -20.660  -6.736   6.664
  346    HB2  ASP  47          2HB       ASP  47 -21.533  -8.729   8.341
  347    HB3  ASP  47          3HB       ASP  47 -22.532  -8.983   6.913
  348    H    ALA  48           H        ALA  48 -23.998  -6.215   7.379
  349    HA   ALA  48           HA       ALA  48 -25.221  -6.825   4.960
  350    HB1  ALA  48          1HB       ALA  48 -26.950  -6.170   6.186
  351    HB2  ALA  48          2HB       ALA  48 -25.885  -5.350   7.329
  352    HB3  ALA  48          3HB       ALA  48 -26.470  -4.497   5.901
  353    H    THR  49           H        THR  49 -23.203  -4.120   5.838
  354    HA   THR  49           HA       THR  49 -23.454  -3.103   3.084
  355    HB   THR  49           HB       THR  49 -23.408  -0.869   3.768
  356    HG1  THR  49           HG1      THR  49 -22.879  -1.589   6.461
  357   HG21  THR  49          1HG2      THR  49 -25.013  -2.311   5.882
  358   HG22  THR  49          2HG2      THR  49 -25.570  -1.903   4.259
  359   HG23  THR  49          3HG2      THR  49 -25.207  -0.622   5.414
  360    H    LYS  50           H        LYS  50 -21.467  -4.523   5.291
  361    HA   LYS  50           HA       LYS  50 -19.225  -4.883   5.418
  362    HB2  LYS  50          2HB       LYS  50 -19.167  -3.584   2.688
  363    HB3  LYS  50          3HB       LYS  50 -17.895  -4.573   3.392
  364    HG2  LYS  50          2HG       LYS  50 -18.870  -6.180   2.153
  365    HG3  LYS  50          3HG       LYS  50 -19.931  -6.303   3.558
  366    HD2  LYS  50          2HD       LYS  50 -21.617  -5.009   2.512
  367    HD3  LYS  50          3HD       LYS  50 -20.524  -4.498   1.223
  368    HE2  LYS  50          2HE       LYS  50 -21.052  -6.278   0.001
  369    HE3  LYS  50          3HE       LYS  50 -20.659  -7.365   1.332
  370    HZ1  LYS  50          1HZ       LYS  50 -22.979  -7.547   0.559
  371    HZ2  LYS  50          2HZ       LYS  50 -23.251  -5.949   1.039
  372    HZ3  LYS  50          3HZ       LYS  50 -22.864  -7.123   2.192
  373    H    THR  51           H        THR  51 -20.016  -2.741   6.831
  374    HA   THR  51           HA       THR  51 -17.685  -1.000   6.654
  375    HB   THR  51           HB       THR  51 -20.525   0.023   6.595
  376    HG1  THR  51           HG1      THR  51 -19.692   1.150   4.765
  377   HG21  THR  51          1HG2      THR  51 -19.116   2.283   6.640
  378   HG22  THR  51          2HG2      THR  51 -18.034   1.285   7.612
  379   HG23  THR  51          3HG2      THR  51 -19.709   1.519   8.114
  380    H    PHE  52           H        PHE  52 -16.981  -0.251   8.612
  381    HA   PHE  52           HA       PHE  52 -18.517  -1.143  10.961
  382    HB2  PHE  52          2HB       PHE  52 -15.541  -0.642  10.864
  383    HB3  PHE  52          3HB       PHE  52 -16.454  -1.454  12.131
  384    HD1  PHE  52           HD1      PHE  52 -18.151  -3.262  10.546
  385    HD2  PHE  52           HD2      PHE  52 -14.041  -2.244  10.117
  386    HE1  PHE  52           HE1      PHE  52 -17.732  -5.430   9.459
  387    HE2  PHE  52           HE2      PHE  52 -13.615  -4.410   9.029
  388    HZ   PHE  52           HZ       PHE  52 -15.461  -6.005   8.698
  389    H    THR  53           H        THR  53 -18.732   0.223  12.728
  390    HA   THR  53           HA       THR  53 -18.119   3.052  12.179
  391    HB   THR  53           HB       THR  53 -20.471   2.837  12.317
  392    HG1  THR  53           HG1      THR  53 -19.633   4.554  13.601
  393   HG21  THR  53          1HG2      THR  53 -21.187   1.826  14.768
  394   HG22  THR  53          2HG2      THR  53 -19.836   0.791  14.306
  395   HG23  THR  53          3HG2      THR  53 -21.236   0.942  13.243
  396    H    VAL  54           H        VAL  54 -16.678   4.021  13.441
  397    HA   VAL  54           HA       VAL  54 -16.277   3.029  16.178
  398    HB   VAL  54           HB       VAL  54 -14.069   3.685  14.223
  399   HG11  VAL  54          1HG1      VAL  54 -12.579   2.968  16.107
  400   HG12  VAL  54          2HG1      VAL  54 -13.416   4.501  16.366
  401   HG13  VAL  54          3HG1      VAL  54 -13.990   3.035  17.164
  402   HG21  VAL  54          1HG2      VAL  54 -13.573   1.436  14.120
  403   HG22  VAL  54          2HG2      VAL  54 -14.374   1.079  15.650
  404   HG23  VAL  54          3HG2      VAL  54 -15.334   1.399  14.206
  405    H    THR  55           H        THR  55 -15.774   4.570  17.700
  406    HA   THR  55           HA       THR  55 -15.152   7.282  16.933
  407    HB   THR  55           HB       THR  55 -17.168   8.095  18.388
  408    HG1  THR  55           HG1      THR  55 -18.409   6.471  18.944
  409   HG21  THR  55          1HG2      THR  55 -18.035   8.843  16.452
  410   HG22  THR  55          2HG2      THR  55 -18.239   7.216  15.805
  411   HG23  THR  55          3HG2      THR  55 -16.672   8.017  15.702
  412    H    GLU  56           H        GLU  56 -13.835   8.117  18.414
  413    HA   GLU  56           HA       GLU  56 -13.825   6.911  21.100
  414    HB2  GLU  56          2HB       GLU  56 -11.477   7.622  21.252
  415    HB3  GLU  56          3HB       GLU  56 -11.746   6.558  19.878
  416    HG2  GLU  56          2HG       GLU  56 -11.590   8.330  18.340
  417    HG3  GLU  56          3HG       GLU  56 -11.730   9.546  19.609
  Start of MODEL    8
    1    H1   MET   1           H        MET   1 -10.706 -10.746   3.277
    2    HA   MET   1           HA       MET   1 -12.800 -10.330   1.276
    3    HB2  MET   1          2HB       MET   1 -13.203 -10.892   4.154
    4    HB3  MET   1          3HB       MET   1 -14.158  -9.576   3.484
    5    HG2  MET   1          2HG       MET   1 -15.569 -11.333   3.147
    6    HG3  MET   1          3HG       MET   1 -14.699 -11.321   1.615
    7    HE1  MET   1          1HE       MET   1 -15.814 -12.900   4.582
    8    HE2  MET   1          2HE       MET   1 -16.149 -14.266   3.519
    9    HE3  MET   1          3HE       MET   1 -14.954 -14.424   4.808
   10    H    THR   2           H        THR   2 -13.706  -8.140   1.341
   11    HA   THR   2           HA       THR   2 -11.706  -6.206   2.310
   12    HB   THR   2           HB       THR   2 -13.630  -5.995  -0.012
   13    HG1  THR   2           HG1      THR   2 -11.864  -7.126  -0.666
   14   HG21  THR   2          1HG2      THR   2 -13.459  -3.824   1.024
   15   HG22  THR   2          2HG2      THR   2 -12.496  -3.823  -0.453
   16   HG23  THR   2          3HG2      THR   2 -11.704  -3.963   1.116
   17    H    PHE   3           H        PHE   3 -12.325  -4.467   3.514
   18    HA   PHE   3           HA       PHE   3 -15.158  -3.945   3.947
   19    HB2  PHE   3          2HB       PHE   3 -13.252  -4.792   6.128
   20    HB3  PHE   3          3HB       PHE   3 -14.750  -3.931   6.459
   21    HD1  PHE   3           HD1      PHE   3 -13.323  -7.056   6.415
   22    HD2  PHE   3           HD2      PHE   3 -16.842  -5.037   5.126
   23    HE1  PHE   3           HE1      PHE   3 -14.543  -9.193   6.412
   24    HE2  PHE   3           HE2      PHE   3 -18.068  -7.170   5.123
   25    HZ   PHE   3           HZ       PHE   3 -16.919  -9.251   5.767
   26    H    LYS   4           H        LYS   4 -15.402  -2.014   5.494
   27    HA   LYS   4           HA       LYS   4 -13.152  -0.152   5.297
   28    HB2  LYS   4          2HB       LYS   4 -14.296   0.528   3.379
   29    HB3  LYS   4          3HB       LYS   4 -15.873   0.213   4.090
   30    HG2  LYS   4          2HG       LYS   4 -15.651   2.152   5.521
   31    HG3  LYS   4          3HG       LYS   4 -14.024   2.447   4.904
   32    HD2  LYS   4          2HD       LYS   4 -16.006   2.217   2.784
   33    HD3  LYS   4          3HD       LYS   4 -16.366   3.525   3.913
   34    HE2  LYS   4          2HE       LYS   4 -13.741   3.943   3.570
   35    HE3  LYS   4          3HE       LYS   4 -14.120   3.210   2.014
   36    HZ1  LYS   4          1HZ       LYS   4 -15.782   5.405   3.064
   37    HZ2  LYS   4          2HZ       LYS   4 -15.548   4.918   1.461
   38    HZ3  LYS   4          3HZ       LYS   4 -14.321   5.745   2.282
   39    H    ALA   5           H        ALA   5 -12.782   0.258   7.385
   40    HA   ALA   5           HA       ALA   5 -15.043   0.607   9.211
   41    HB1  ALA   5          1HB       ALA   5 -12.092   0.256   9.704
   42    HB2  ALA   5          2HB       ALA   5 -13.269   0.579  10.978
   43    HB3  ALA   5          3HB       ALA   5 -13.386  -0.900  10.026
   44    H    ILE   6           H        ILE   6 -15.582   2.517  10.104
   45    HA   ILE   6           HA       ILE   6 -13.963   4.857   9.346
   46    HB   ILE   6           HB       ILE   6 -16.914   4.599   9.899
   47   HG12  ILE   6          2HG1      ILE   6 -16.895   5.811   7.601
   48   HG13  ILE   6          3HG1      ILE   6 -15.222   5.276   7.509
   49   HG21  ILE   6          1HG2      ILE   6 -15.192   7.053   9.776
   50   HG22  ILE   6          2HG2      ILE   6 -16.912   7.104   9.395
   51   HG23  ILE   6          3HG2      ILE   6 -16.379   6.597  10.996
   52   HD11  ILE   6          1HD1      ILE   6 -17.124   3.848   6.460
   53   HD12  ILE   6          2HD1      ILE   6 -15.799   3.064   7.324
   54   HD13  ILE   6          3HD1      ILE   6 -17.357   3.293   8.118
   55    H    ILE   7           H        ILE   7 -13.329   6.324  10.866
   56    HA   ILE   7           HA       ILE   7 -14.019   5.718  13.667
   57    HB   ILE   7           HB       ILE   7 -11.614   6.887  13.963
   58   HG12  ILE   7          2HG1      ILE   7 -11.109   5.103  11.606
   59   HG13  ILE   7          3HG1      ILE   7 -11.511   6.797  11.349
   60   HG21  ILE   7          1HG2      ILE   7 -10.701   4.579  14.214
   61   HG22  ILE   7          2HG2      ILE   7 -12.234   4.847  15.043
   62   HG23  ILE   7          3HG2      ILE   7 -12.201   3.967  13.516
   63   HD11  ILE   7          1HD1      ILE   7  -9.299   7.089  11.472
   64   HD12  ILE   7          2HD1      ILE   7  -9.560   7.002  13.215
   65   HD13  ILE   7          3HD1      ILE   7  -9.042   5.569  12.328
   66    H    ASN   8           H        ASN   8 -14.563   7.402  14.955
   67    HA   ASN   8           HA       ASN   8 -14.014  10.130  14.133
   68    HB2  ASN   8          2HB       ASN   8 -16.717   8.886  14.023
   69    HB3  ASN   8          3HB       ASN   8 -16.607  10.533  14.640
   70   HD21  ASN   8          1HD2      ASN   8 -16.974   8.685  11.928
   71   HD22  ASN   8          2HD2      ASN   8 -16.547   9.857  10.731
   72    H    GLY   9           H        GLY   9 -13.318  11.132  15.895
   73    HA2  GLY   9          2HA       GLY   9 -14.281  10.197  18.517
   74    HA3  GLY   9          3HA       GLY   9 -12.761  11.031  18.234
   75    H    LYS  10           H        LYS  10 -13.917  12.129  20.203
   76    HA   LYS  10           HA       LYS  10 -16.057  13.847  19.938
   77    HB2  LYS  10          2HB       LYS  10 -14.582  13.287  22.001
   78    HB3  LYS  10          3HB       LYS  10 -13.613  14.660  21.484
   79    HG2  LYS  10          2HG       LYS  10 -16.551  15.014  21.788
   80    HG3  LYS  10          3HG       LYS  10 -15.540  14.945  23.233
   81    HD2  LYS  10          2HD       LYS  10 -15.024  16.799  20.912
   82    HD3  LYS  10          3HD       LYS  10 -15.953  17.253  22.342
   83    HE2  LYS  10          2HE       LYS  10 -13.908  16.527  23.685
   84    HE3  LYS  10          3HE       LYS  10 -13.043  16.529  22.149
   85    HZ1  LYS  10          1HZ       LYS  10 -13.639  18.860  21.867
   86    HZ2  LYS  10          2HZ       LYS  10 -12.771  18.626  23.300
   87    HZ3  LYS  10          3HZ       LYS  10 -14.446  18.853  23.353
   88    H    THR  11           H        THR  11 -12.637  14.513  19.241
   89    HA   THR  11           HA       THR  11 -13.489  16.649  17.426
   90    HB   THR  11           HB       THR  11 -12.864  17.690  19.615
   91    HG1  THR  11           HG1      THR  11 -11.622  18.216  17.168
   92   HG21  THR  11          1HG2      THR  11 -10.852  15.863  19.684
   93   HG22  THR  11          2HG2      THR  11 -10.883  17.346  20.638
   94   HG23  THR  11          3HG2      THR  11  -9.993  17.294  19.117
   95    H    LEU  12           H        LEU  12 -12.422  13.902  17.124
   96    HA   LEU  12           HA       LEU  12 -10.031  14.582  15.543
   97    HB2  LEU  12          2HB       LEU  12  -9.258  13.318  17.399
   98    HB3  LEU  12          3HB       LEU  12 -10.564  12.146  17.227
   99    HG   LEU  12           HG       LEU  12  -9.516  11.468  15.037
  100   HD11  LEU  12          1HD1      LEU  12  -6.971  12.026  15.076
  101   HD12  LEU  12          2HD1      LEU  12  -7.491  13.436  15.998
  102   HD13  LEU  12          3HD1      LEU  12  -8.117  13.167  14.372
  103   HD21  LEU  12          1HD2      LEU  12  -8.254  11.072  17.714
  104   HD22  LEU  12          2HD2      LEU  12  -7.512  10.359  16.281
  105   HD23  LEU  12          3HD2      LEU  12  -9.167   9.936  16.722
  106    H    LYS  13           H        LYS  13 -10.052  13.971  13.463
  107    HA   LYS  13           HA       LYS  13 -12.460  12.808  12.390
  108    HB2  LYS  13          2HB       LYS  13  -9.999  14.063  11.278
  109    HB3  LYS  13          3HB       LYS  13 -10.902  12.974  10.231
  110    HG2  LYS  13          2HG       LYS  13 -11.761  15.081   9.747
  111    HG3  LYS  13          3HG       LYS  13 -12.950  14.376  10.845
  112    HD2  LYS  13          2HD       LYS  13 -12.627  16.577  11.611
  113    HD3  LYS  13          3HD       LYS  13 -11.694  15.563  12.714
  114    HE2  LYS  13          2HE       LYS  13  -9.662  16.232  11.808
  115    HE3  LYS  13          3HE       LYS  13 -10.399  16.763  10.296
  116    HZ1  LYS  13          1HZ       LYS  13 -11.024  18.746  11.187
  117    HZ2  LYS  13          2HZ       LYS  13  -9.637  18.471  12.113
  118    HZ3  LYS  13          3HZ       LYS  13 -11.164  18.144  12.762
  119    H    GLY  14           H        GLY  14 -12.117  11.120  10.552
  120    HA2  GLY  14          2HA       GLY  14 -10.034   9.266  10.616
  121    HA3  GLY  14          3HA       GLY  14 -11.239   8.726  11.776
  122    H    GLU  15           H        GLU  15 -10.224   7.940   8.921
  123    HA   GLU  15           HA       GLU  15 -12.568   6.651   8.096
  124    HB2  GLU  15          2HB       GLU  15 -12.969   7.924   5.966
  125    HB3  GLU  15          3HB       GLU  15 -13.445   8.769   7.433
  126    HG2  GLU  15          2HG       GLU  15 -12.217  10.493   6.814
  127    HG3  GLU  15          3HG       GLU  15 -10.774   9.486   6.919
  128    H    THR  16           H        THR  16 -11.682   4.868   7.310
  129    HA   THR  16           HA       THR  16  -9.899   4.968   5.058
  130    HB   THR  16           HB       THR  16  -8.757   3.426   7.345
  131    HG1  THR  16           HG1      THR  16  -7.983   6.112   6.960
  132   HG21  THR  16          1HG2      THR  16  -7.969   4.296   4.695
  133   HG22  THR  16          2HG2      THR  16  -7.257   3.057   5.730
  134   HG23  THR  16          3HG2      THR  16  -6.771   4.743   5.910
  135    H    THR  17           H        THR  17  -9.283   2.722   4.347
  136    HA   THR  17           HA       THR  17 -11.437   0.832   5.040
  137    HB   THR  17           HB       THR  17 -11.435   0.004   2.799
  138    HG1  THR  17           HG1      THR  17  -9.946   1.117   1.256
  139   HG21  THR  17          1HG2      THR  17 -11.297   2.707   1.839
  140   HG22  THR  17          2HG2      THR  17 -12.064   2.673   3.426
  141   HG23  THR  17          3HG2      THR  17 -12.714   1.694   2.111
  142    H    THR  18           H        THR  18 -10.876  -1.477   4.627
  143    HA   THR  18           HA       THR  18  -8.172  -2.315   4.467
  144    HB   THR  18           HB       THR  18  -8.023  -1.422   6.733
  145    HG1  THR  18           HG1      THR  18  -6.786  -3.100   7.046
  146   HG21  THR  18          1HG2      THR  18 -10.562  -1.876   7.119
  147   HG22  THR  18          2HG2      THR  18  -9.444  -1.973   8.479
  148   HG23  THR  18          3HG2      THR  18 -10.006  -3.447   7.693
  149    H    GLU  19           H        GLU  19  -7.959  -4.570   4.366
  150    HA   GLU  19           HA       GLU  19 -10.493  -5.968   3.956
  151    HB2  GLU  19          2HB       GLU  19  -7.663  -6.490   3.089
  152    HB3  GLU  19          3HB       GLU  19  -8.881  -7.756   3.010
  153    HG2  GLU  19          2HG       GLU  19  -9.993  -6.780   1.293
  154    HG3  GLU  19          3HG       GLU  19  -9.561  -5.146   1.793
  155    H    ALA  20           H        ALA  20 -11.055  -7.845   5.007
  156    HA   ALA  20           HA       ALA  20  -9.258  -8.849   7.094
  157    HB1  ALA  20          1HB       ALA  20 -12.143  -8.138   7.608
  158    HB2  ALA  20          2HB       ALA  20 -11.009  -8.837   8.765
  159    HB3  ALA  20          3HB       ALA  20 -10.751  -7.203   8.154
  160    H    VAL  21           H        VAL  21 -10.366 -10.859   8.160
  161    HA   VAL  21           HA       VAL  21 -11.515 -12.486   5.985
  162    HB   VAL  21           HB       VAL  21  -9.731 -13.386   8.253
  163   HG11  VAL  21          1HG1      VAL  21 -10.989 -14.959   6.006
  164   HG12  VAL  21          2HG1      VAL  21  -9.782 -15.580   7.134
  165   HG13  VAL  21          3HG1      VAL  21 -11.371 -15.090   7.722
  166   HG21  VAL  21          1HG2      VAL  21  -9.201 -13.306   5.284
  167   HG22  VAL  21          2HG2      VAL  21  -8.577 -12.144   6.455
  168   HG23  VAL  21          3HG2      VAL  21  -8.082 -13.835   6.541
  169    H    ASP  22           H        ASP  22 -11.471 -11.961   9.489
  170    HA   ASP  22           HA       ASP  22 -14.249 -12.879   9.598
  171    HB2  ASP  22          2HB       ASP  22 -11.979 -13.920  11.286
  172    HB3  ASP  22          3HB       ASP  22 -13.657 -14.029  11.809
  173    H    ALA  23           H        ALA  23 -14.965 -12.533  12.081
  174    HA   ALA  23           HA       ALA  23 -14.970  -9.732  12.455
  175    HB1  ALA  23          1HB       ALA  23 -16.565 -10.103  14.015
  176    HB2  ALA  23          2HB       ALA  23 -16.600 -11.696  13.261
  177    HB3  ALA  23          3HB       ALA  23 -15.689 -11.447  14.751
  178    H    ALA  24           H        ALA  24 -12.846 -12.215  13.527
  179    HA   ALA  24           HA       ALA  24 -11.768 -10.671  15.731
  180    HB1  ALA  24          1HB       ALA  24 -10.077 -12.615  15.734
  181    HB2  ALA  24          2HB       ALA  24 -11.747 -12.948  16.197
  182    HB3  ALA  24          3HB       ALA  24 -11.178 -13.373  14.583
  183    H    THR  25           H        THR  25 -10.925 -11.499  12.423
  184    HA   THR  25           HA       THR  25  -8.271 -10.775  12.313
  185    HB   THR  25           HB       THR  25 -10.395 -10.287  10.216
  186    HG1  THR  25           HG1      THR  25  -8.713 -12.466  10.871
  187   HG21  THR  25          1HG2      THR  25  -7.646  -9.497  10.287
  188   HG22  THR  25          2HG2      THR  25  -8.829  -9.276   8.997
  189   HG23  THR  25          3HG2      THR  25  -7.858 -10.746   9.062
  190    H    ALA  26           H        ALA  26 -11.118  -8.676  12.125
  191    HA   ALA  26           HA       ALA  26  -9.555  -6.289  11.764
  192    HB1  ALA  26          1HB       ALA  26 -11.839  -5.202  12.277
  193    HB2  ALA  26          2HB       ALA  26 -11.657  -6.136  10.791
  194    HB3  ALA  26          3HB       ALA  26 -12.466  -6.848  12.186
  195    H    GLU  27           H        GLU  27 -10.744  -8.119  14.445
  196    HA   GLU  27           HA       GLU  27 -10.594  -5.985  16.360
  197    HB2  GLU  27          2HB       GLU  27 -12.122  -7.733  16.861
  198    HB3  GLU  27          3HB       GLU  27 -10.901  -8.972  16.607
  199    HG2  GLU  27          2HG       GLU  27  -9.904  -8.606  18.643
  200    HG3  GLU  27          3HG       GLU  27 -10.498  -6.951  18.757
  201    H    LYS  28           H        LYS  28  -8.483  -8.560  15.250
  202    HA   LYS  28           HA       LYS  28  -6.494  -8.050  17.282
  203    HB2  LYS  28          2HB       LYS  28  -5.261  -9.830  16.321
  204    HB3  LYS  28          3HB       LYS  28  -6.951 -10.312  16.229
  205    HG2  LYS  28          2HG       LYS  28  -6.527 -10.783  14.097
  206    HG3  LYS  28          3HG       LYS  28  -6.566  -9.038  13.833
  207    HD2  LYS  28          2HD       LYS  28  -4.481  -9.256  13.061
  208    HD3  LYS  28          3HD       LYS  28  -4.001  -9.487  14.743
  209    HE2  LYS  28          2HE       LYS  28  -3.101 -11.374  13.833
  210    HE3  LYS  28          3HE       LYS  28  -4.710 -11.982  14.225
  211    HZ1  LYS  28          1HZ       LYS  28  -4.018 -12.581  11.975
  212    HZ2  LYS  28          2HZ       LYS  28  -3.872 -10.947  11.569
  213    HZ3  LYS  28          3HZ       LYS  28  -5.389 -11.590  11.953
  214    H    VAL  29           H        VAL  29  -7.211  -6.964  14.084
  215    HA   VAL  29           HA       VAL  29  -4.548  -5.929  13.596
  216    HB   VAL  29           HB       VAL  29  -6.232  -6.797  11.820
  217   HG11  VAL  29          1HG1      VAL  29  -7.917  -5.005  12.770
  218   HG12  VAL  29          2HG1      VAL  29  -7.091  -3.956  11.615
  219   HG13  VAL  29          3HG1      VAL  29  -7.895  -5.425  11.058
  220   HG21  VAL  29          1HG2      VAL  29  -4.079  -5.893  11.238
  221   HG22  VAL  29          2HG2      VAL  29  -5.292  -5.231  10.142
  222   HG23  VAL  29          3HG2      VAL  29  -4.665  -4.246  11.463
  223    H    PHE  30           H        PHE  30  -7.524  -4.846  14.958
  224    HA   PHE  30           HA       PHE  30  -7.050  -2.042  14.595
  225    HB2  PHE  30          2HB       PHE  30  -9.123  -3.730  15.777
  226    HB3  PHE  30          3HB       PHE  30  -8.829  -2.258  16.699
  227    HD1  PHE  30           HD1      PHE  30  -8.284  -0.244  14.753
  228    HD2  PHE  30           HD2      PHE  30 -11.037  -3.483  14.540
  229    HE1  PHE  30           HE1      PHE  30  -9.654   1.030  13.155
  230    HE2  PHE  30           HE2      PHE  30 -12.411  -2.214  12.940
  231    HZ   PHE  30           HZ       PHE  30 -11.720   0.045  12.246
  232    H    LYS  31           H        LYS  31  -6.757  -4.302  17.317
  233    HA   LYS  31           HA       LYS  31  -5.987  -2.568  19.313
  234    HB2  LYS  31          2HB       LYS  31  -4.624  -4.556  20.181
  235    HB3  LYS  31          3HB       LYS  31  -6.350  -4.800  19.945
  236    HG2  LYS  31          2HG       LYS  31  -5.984  -6.014  17.933
  237    HG3  LYS  31          3HG       LYS  31  -4.273  -5.582  17.916
  238    HD2  LYS  31          2HD       LYS  31  -5.534  -7.165  20.144
  239    HD3  LYS  31          3HD       LYS  31  -4.838  -7.923  18.710
  240    HE2  LYS  31          2HE       LYS  31  -2.697  -6.754  19.215
  241    HE3  LYS  31          3HE       LYS  31  -3.416  -6.181  20.719
  242    HZ1  LYS  31          1HZ       LYS  31  -3.348  -9.061  20.086
  243    HZ2  LYS  31          2HZ       LYS  31  -3.474  -8.309  21.595
  244    HZ3  LYS  31          3HZ       LYS  31  -2.000  -8.299  20.766
  245    H    GLN  32           H        GLN  32  -3.986  -4.025  16.787
  246    HA   GLN  32           HA       GLN  32  -1.483  -3.197  17.678
  247    HB2  GLN  32          2HB       GLN  32  -1.711  -4.766  15.851
  248    HB3  GLN  32          3HB       GLN  32  -2.507  -3.552  14.857
  249    HG2  GLN  32          2HG       GLN  32  -0.531  -2.346  14.542
  250    HG3  GLN  32          3HG       GLN  32   0.281  -3.159  15.878
  251   HE21  GLN  32          1HE2      GLN  32   1.422  -2.937  13.373
  252   HE22  GLN  32          2HE2      GLN  32   1.526  -4.505  12.656
  253    H    TYR  33           H        TYR  33  -3.924  -1.466  15.817
  254    HA   TYR  33           HA       TYR  33  -2.222   0.849  15.476
  255    HB2  TYR  33          2HB       TYR  33  -4.976   0.082  14.610
  256    HB3  TYR  33          3HB       TYR  33  -4.546   1.788  14.637
  257    HD1  TYR  33           HD1      TYR  33  -3.576  -1.497  13.213
  258    HD2  TYR  33           HD2      TYR  33  -3.252   2.734  12.912
  259    HE1  TYR  33           HE1      TYR  33  -2.492  -1.742  11.019
  260    HE2  TYR  33           HE2      TYR  33  -2.169   2.502  10.716
  261    HH   TYR  33           HH       TYR  33  -0.751   0.541   9.563
  262    H    PHE  34           H        PHE  34  -4.640  -0.277  17.678
  263    HA   PHE  34           HA       PHE  34  -5.573   2.123  18.745
  264    HB2  PHE  34          2HB       PHE  34  -5.388  -0.683  19.685
  265    HB3  PHE  34          3HB       PHE  34  -5.614   0.543  20.928
  266    HD1  PHE  34           HD1      PHE  34  -6.951   0.462  17.465
  267    HD2  PHE  34           HD2      PHE  34  -7.807   0.240  21.628
  268    HE1  PHE  34           HE1      PHE  34  -9.361   0.513  16.969
  269    HE2  PHE  34           HE2      PHE  34 -10.217   0.291  21.139
  270    HZ   PHE  34           HZ       PHE  34 -10.997   0.426  18.807
  271    H    ASN  35           H        ASN  35  -2.504   0.587  19.051
  272    HA   ASN  35           HA       ASN  35  -1.722   1.962  21.454
  273    HB2  ASN  35          2HB       ASN  35  -0.714  -0.182  21.004
  274    HB3  ASN  35          3HB       ASN  35  -0.149   0.363  19.428
  275   HD21  ASN  35          1HD2      ASN  35   0.159   0.967  22.890
  276   HD22  ASN  35          2HD2      ASN  35   1.798   1.507  22.830
  277    H    ASP  36           H        ASP  36  -1.687   2.614  18.069
  278    HA   ASP  36           HA       ASP  36   0.357   4.638  18.184
  279    HB2  ASP  36          2HB       ASP  36  -0.252   3.237  16.141
  280    HB3  ASP  36          3HB       ASP  36  -1.672   4.267  15.982
  281    H    ASN  37           H        ASN  37  -3.113   4.499  18.472
  282    HA   ASN  37           HA       ASN  37  -3.285   7.426  18.481
  283    HB2  ASN  37          2HB       ASN  37  -5.661   5.611  18.732
  284    HB3  ASN  37          3HB       ASN  37  -5.565   7.227  18.037
  285   HD21  ASN  37          1HD2      ASN  37  -4.052   7.345  16.089
  286   HD22  ASN  37          2HD2      ASN  37  -4.224   6.077  14.927
  287    H    GLY  38           H        GLY  38  -3.290   4.694  20.562
  288    HA2  GLY  38          2HA       GLY  38  -3.409   4.515  22.847
  289    HA3  GLY  38          3HA       GLY  38  -3.182   6.257  22.905
  290    H    LEU  39           H        LEU  39  -5.860   5.106  21.090
  291    HA   LEU  39           HA       LEU  39  -7.664   5.825  23.308
  292    HB2  LEU  39          2HB       LEU  39  -7.816   6.436  20.376
  293    HB3  LEU  39          3HB       LEU  39  -9.261   6.437  21.386
  294    HG   LEU  39           HG       LEU  39  -6.848   8.182  21.867
  295   HD11  LEU  39          1HD1      LEU  39  -9.411   9.320  20.934
  296   HD12  LEU  39          2HD1      LEU  39  -8.434   8.470  19.738
  297   HD13  LEU  39          3HD1      LEU  39  -7.753   9.836  20.619
  298   HD21  LEU  39          1HD2      LEU  39  -9.601   8.066  23.084
  299   HD22  LEU  39          2HD2      LEU  39  -8.499   9.427  23.286
  300   HD23  LEU  39          3HD2      LEU  39  -8.051   7.833  23.892
  301    H    ASP  40           H        ASP  40  -9.972   4.964  22.829
  302    HA   ASP  40           HA       ASP  40 -10.288   2.608  21.302
  303    HB2  ASP  40          2HB       ASP  40 -10.495   0.999  23.208
  304    HB3  ASP  40          3HB       ASP  40  -8.848   1.553  22.917
  305    H    GLY  41           H        GLY  41 -12.345   1.383  22.063
  306    HA2  GLY  41          2HA       GLY  41 -14.238   2.581  23.734
  307    HA3  GLY  41          3HA       GLY  41 -14.462   3.249  22.124
  308    H    GLU  42           H        GLU  42 -15.484   2.062  20.586
  309    HA   GLU  42           HA       GLU  42 -15.897  -0.782  20.952
  310    HB2  GLU  42          2HB       GLU  42 -18.350  -0.627  20.860
  311    HB3  GLU  42          3HB       GLU  42 -17.701   0.132  22.306
  312    HG2  GLU  42          2HG       GLU  42 -18.248   1.790  19.890
  313    HG3  GLU  42          3HG       GLU  42 -19.577   1.300  20.939
  314    H    TRP  43           H        TRP  43 -16.430  -1.846  19.065
  315    HA   TRP  43           HA       TRP  43 -16.748  -0.181  16.659
  316    HB2  TRP  43          2HB       TRP  43 -15.154  -1.429  15.452
  317    HB3  TRP  43          3HB       TRP  43 -14.398  -1.142  17.016
  318    HD1  TRP  43           HD1      TRP  43 -14.574  -3.303  18.794
  319    HE1  TRP  43           HE1      TRP  43 -14.375  -5.815  18.269
  320    HE3  TRP  43           HE3      TRP  43 -15.538  -3.163  13.776
  321    HZ2  TRP  43           HZ2      TRP  43 -14.597  -7.512  16.025
  322    HZ3  TRP  43           HZ3      TRP  43 -15.526  -5.274  12.513
  323    HH2  TRP  43           HH2      TRP  43 -15.063  -7.403  13.616
  324    H    THR  44           H        THR  44 -18.222  -0.869  15.197
  325    HA   THR  44           HA       THR  44 -19.657  -3.360  15.840
  326    HB   THR  44           HB       THR  44 -20.945  -1.368  14.062
  327    HG1  THR  44           HG1      THR  44 -21.622  -0.191  15.997
  328   HG21  THR  44          1HG2      THR  44 -22.627  -2.119  16.157
  329   HG22  THR  44          2HG2      THR  44 -21.672  -3.560  15.802
  330   HG23  THR  44          3HG2      THR  44 -22.608  -2.784  14.524
  331    H    TYR  45           H        TYR  45 -20.451  -4.648  14.089
  332    HA   TYR  45           HA       TYR  45 -18.878  -4.329  11.616
  333    HB2  TYR  45          2HB       TYR  45 -19.057  -6.818  11.404
  334    HB3  TYR  45          3HB       TYR  45 -18.122  -6.283  12.796
  335    HD1  TYR  45           HD1      TYR  45 -21.027  -8.116  11.670
  336    HD2  TYR  45           HD2      TYR  45 -19.148  -6.387  15.074
  337    HE1  TYR  45           HE1      TYR  45 -22.455  -9.475  13.140
  338    HE2  TYR  45           HE2      TYR  45 -20.570  -7.744  16.554
  339    HH   TYR  45           HH       TYR  45 -23.319  -9.295  15.546
  340    H    ASP  46           H        ASP  46 -20.044  -3.851   9.891
  341    HA   ASP  46           HA       ASP  46 -22.827  -4.813   9.756
  342    HB2  ASP  46          2HB       ASP  46 -21.900  -2.308   8.376
  343    HB3  ASP  46          3HB       ASP  46 -23.540  -2.795   8.795
  344    H    ASP  47           H        ASP  47 -22.315  -6.647   8.565
  345    HA   ASP  47           HA       ASP  47 -20.717  -6.551   6.200
  346    HB2  ASP  47          2HB       ASP  47 -21.610  -8.560   7.839
  347    HB3  ASP  47          3HB       ASP  47 -22.626  -8.774   6.417
  348    H    ALA  48           H        ALA  48 -24.058  -6.016   6.913
  349    HA   ALA  48           HA       ALA  48 -25.268  -6.559   4.473
  350    HB1  ALA  48          1HB       ALA  48 -26.198  -5.688   6.800
  351    HB2  ALA  48          2HB       ALA  48 -26.156  -4.143   5.948
  352    HB3  ALA  48          3HB       ALA  48 -27.097  -5.485   5.296
  353    H    THR  49           H        THR  49 -23.233  -3.897   5.427
  354    HA   THR  49           HA       THR  49 -23.484  -2.790   2.707
  355    HB   THR  49           HB       THR  49 -23.373  -0.580   3.469
  356    HG1  THR  49           HG1      THR  49 -22.850  -1.423   6.129
  357   HG21  THR  49          1HG2      THR  49 -25.160  -0.353   5.137
  358   HG22  THR  49          2HG2      THR  49 -25.011  -2.067   5.526
  359   HG23  THR  49          3HG2      THR  49 -25.560  -1.570   3.925
  360    H    LYS  50           H        LYS  50 -21.496  -4.283   4.889
  361    HA   LYS  50           HA       LYS  50 -19.264  -4.722   4.939
  362    HB2  LYS  50          2HB       LYS  50 -18.962  -3.204   2.359
  363    HB3  LYS  50          3HB       LYS  50 -18.015  -4.566   2.944
  364    HG2  LYS  50          2HG       LYS  50 -20.893  -4.683   2.063
  365    HG3  LYS  50          3HG       LYS  50 -19.498  -5.206   1.114
  366    HD2  LYS  50          2HD       LYS  50 -20.148  -6.333   3.830
  367    HD3  LYS  50          3HD       LYS  50 -20.768  -7.028   2.330
  368    HE2  LYS  50          2HE       LYS  50 -17.835  -6.541   2.684
  369    HE3  LYS  50          3HE       LYS  50 -18.590  -7.977   3.371
  370    HZ1  LYS  50          1HZ       LYS  50 -17.822  -7.489   0.700
  371    HZ2  LYS  50          2HZ       LYS  50 -19.488  -7.776   0.757
  372    HZ3  LYS  50          3HZ       LYS  50 -18.412  -8.917   1.390
  373    H    THR  51           H        THR  51 -20.015  -2.640   6.470
  374    HA   THR  51           HA       THR  51 -17.646  -0.943   6.386
  375    HB   THR  51           HB       THR  51 -20.461   0.151   6.403
  376    HG1  THR  51           HG1      THR  51 -19.548  -0.131   4.339
  377   HG21  THR  51          1HG2      THR  51 -19.591   1.569   7.960
  378   HG22  THR  51          2HG2      THR  51 -18.968   2.363   6.513
  379   HG23  THR  51          3HG2      THR  51 -17.928   1.287   7.446
  380    H    PHE  52           H        PHE  52 -16.935  -0.302   8.381
  381    HA   PHE  52           HA       PHE  52 -18.477  -1.309  10.679
  382    HB2  PHE  52          2HB       PHE  52 -15.499  -1.004  10.279
  383    HB3  PHE  52          3HB       PHE  52 -16.229  -1.336  11.846
  384    HD1  PHE  52           HD1      PHE  52 -16.336  -3.523  12.520
  385    HD2  PHE  52           HD2      PHE  52 -16.329  -2.650   8.354
  386    HE1  PHE  52           HE1      PHE  52 -16.319  -5.931  12.020
  387    HE2  PHE  52           HE2      PHE  52 -16.312  -5.057   7.847
  388    HZ   PHE  52           HZ       PHE  52 -16.308  -6.701   9.680
  389    H    THR  53           H        THR  53 -18.851  -0.005  12.420
  390    HA   THR  53           HA       THR  53 -18.168   2.835  12.065
  391    HB   THR  53           HB       THR  53 -20.531   2.588  12.122
  392    HG1  THR  53           HG1      THR  53 -20.828   4.079  13.620
  393   HG21  THR  53          1HG2      THR  53 -21.208   1.520  14.601
  394   HG22  THR  53          2HG2      THR  53 -19.935   0.460  13.995
  395   HG23  THR  53          3HG2      THR  53 -21.387   0.737  13.032
  396    H    VAL  54           H        VAL  54 -16.781   3.750  13.427
  397    HA   VAL  54           HA       VAL  54 -16.447   2.603  16.112
  398    HB   VAL  54           HB       VAL  54 -14.186   3.388  14.268
  399   HG11  VAL  54          1HG1      VAL  54 -13.534   4.050  16.434
  400   HG12  VAL  54          2HG1      VAL  54 -14.235   2.610  17.173
  401   HG13  VAL  54          3HG1      VAL  54 -12.783   2.476  16.178
  402   HG21  VAL  54          1HG2      VAL  54 -14.717   0.690  15.487
  403   HG22  VAL  54          2HG2      VAL  54 -15.332   1.154  13.900
  404   HG23  VAL  54          3HG2      VAL  54 -13.594   1.104  14.191
  405    H    THR  55           H        THR  55 -15.958   4.056  17.731
  406    HA   THR  55           HA       THR  55 -16.085   6.899  16.960
  407    HB   THR  55           HB       THR  55 -16.829   5.923  19.699
  408    HG1  THR  55           HG1      THR  55 -18.378   5.810  17.328
  409   HG21  THR  55          1HG2      THR  55 -16.519   8.393  18.956
  410   HG22  THR  55          2HG2      THR  55 -17.940   7.955  19.905
  411   HG23  THR  55          3HG2      THR  55 -18.077   8.170  18.161
  412    H    GLU  56           H        GLU  56 -13.992   7.531  16.927
  413    HA   GLU  56           HA       GLU  56 -12.010   6.594  18.728
  414    HB2  GLU  56          2HB       GLU  56 -12.177   8.704  16.638
  415    HB3  GLU  56          3HB       GLU  56 -10.894   8.852  17.831
  416    HG2  GLU  56          2HG       GLU  56 -11.336   6.306  16.317
  417    HG3  GLU  56          3HG       GLU  56 -10.378   7.627  15.651
  Start of MODEL    9
    1    H1   MET   1           H        MET   1 -10.735 -10.646   2.898
    2    HA   MET   1           HA       MET   1 -12.919 -10.059   1.034
    3    HB2  MET   1          2HB       MET   1 -13.331  -9.984   4.018
    4    HB3  MET   1          3HB       MET   1 -14.545  -9.849   2.754
    5    HG2  MET   1          2HG       MET   1 -13.857 -12.232   2.113
    6    HG3  MET   1          3HG       MET   1 -13.075 -12.279   3.691
    7    HE1  MET   1          1HE       MET   1 -16.024 -12.728   1.629
    8    HE2  MET   1          2HE       MET   1 -17.430 -12.790   2.692
    9    HE3  MET   1          3HE       MET   1 -16.777 -11.231   2.183
   10    H    THR   2           H        THR   2 -13.752  -7.871   1.229
   11    HA   THR   2           HA       THR   2 -11.676  -6.022   2.192
   12    HB   THR   2           HB       THR   2 -13.792  -5.623   0.069
   13    HG1  THR   2           HG1      THR   2 -12.158  -6.734  -0.858
   14   HG21  THR   2          1HG2      THR   2 -12.685  -3.456  -0.338
   15   HG22  THR   2          2HG2      THR   2 -11.668  -3.726   1.077
   16   HG23  THR   2          3HG2      THR   2 -13.411  -3.540   1.267
   17    H    PHE   3           H        PHE   3 -12.198  -4.268   3.462
   18    HA   PHE   3           HA       PHE   3 -14.976  -3.841   4.225
   19    HB2  PHE   3          2HB       PHE   3 -12.812  -4.722   6.126
   20    HB3  PHE   3          3HB       PHE   3 -14.223  -3.828   6.682
   21    HD1  PHE   3           HD1      PHE   3 -12.899  -7.026   5.849
   22    HD2  PHE   3           HD2      PHE   3 -16.520  -4.814   6.183
   23    HE1  PHE   3           HE1      PHE   3 -14.168  -9.130   5.989
   24    HE2  PHE   3           HE2      PHE   3 -17.794  -6.914   6.324
   25    HZ   PHE   3           HZ       PHE   3 -16.619  -9.075   6.228
   26    H    LYS   4           H        LYS   4 -15.100  -1.944   5.825
   27    HA   LYS   4           HA       LYS   4 -12.926  -0.030   5.544
   28    HB2  LYS   4          2HB       LYS   4 -14.067   0.584   3.591
   29    HB3  LYS   4          3HB       LYS   4 -15.646   0.310   4.316
   30    HG2  LYS   4          2HG       LYS   4 -15.369   2.282   5.710
   31    HG3  LYS   4          3HG       LYS   4 -13.761   2.546   5.034
   32    HD2  LYS   4          2HD       LYS   4 -16.040   2.318   3.143
   33    HD3  LYS   4          3HD       LYS   4 -15.906   3.797   4.096
   34    HE2  LYS   4          2HE       LYS   4 -14.610   4.429   2.349
   35    HE3  LYS   4          3HE       LYS   4 -13.371   3.590   3.281
   36    HZ1  LYS   4          1HZ       LYS   4 -13.703   1.630   1.948
   37    HZ2  LYS   4          2HZ       LYS   4 -13.384   2.945   0.932
   38    HZ3  LYS   4          3HZ       LYS   4 -14.965   2.366   1.095
   39    H    ALA   5           H        ALA   5 -12.596   0.402   7.635
   40    HA   ALA   5           HA       ALA   5 -14.898   0.770   9.409
   41    HB1  ALA   5          1HB       ALA   5 -13.464   0.383  11.222
   42    HB2  ALA   5          2HB       ALA   5 -12.937  -0.757   9.984
   43    HB3  ALA   5          3HB       ALA   5 -12.021   0.723  10.266
   44    H    ILE   6           H        ILE   6 -15.510   2.717  10.109
   45    HA   ILE   6           HA       ILE   6 -13.834   5.023   9.410
   46    HB   ILE   6           HB       ILE   6 -16.782   4.797   9.991
   47   HG12  ILE   6          2HG1      ILE   6 -16.779   5.964   7.672
   48   HG13  ILE   6          3HG1      ILE   6 -15.107   5.421   7.572
   49   HG21  ILE   6          1HG2      ILE   6 -16.674   7.322   9.358
   50   HG22  ILE   6          2HG2      ILE   6 -16.341   6.814  11.014
   51   HG23  ILE   6          3HG2      ILE   6 -15.008   7.197   9.925
   52   HD11  ILE   6          1HD1      ILE   6 -17.280   3.478   8.212
   53   HD12  ILE   6          2HD1      ILE   6 -16.980   3.975   6.546
   54   HD13  ILE   6          3HD1      ILE   6 -15.702   3.195   7.478
   55    H    ILE   7           H        ILE   7 -13.184   6.508  10.909
   56    HA   ILE   7           HA       ILE   7 -13.858   5.936  13.722
   57    HB   ILE   7           HB       ILE   7 -11.442   7.102  13.979
   58   HG12  ILE   7          2HG1      ILE   7 -10.979   5.264  11.652
   59   HG13  ILE   7          3HG1      ILE   7 -11.354   6.960  11.372
   60   HG21  ILE   7          1HG2      ILE   7 -12.125   4.192  13.642
   61   HG22  ILE   7          2HG2      ILE   7 -10.549   4.748  14.201
   62   HG23  ILE   7          3HG2      ILE   7 -11.996   5.116  15.138
   63   HD11  ILE   7          1HD1      ILE   7  -9.042   5.905  12.982
   64   HD12  ILE   7          2HD1      ILE   7  -8.962   6.577  11.352
   65   HD13  ILE   7          3HD1      ILE   7  -9.418   7.606  12.709
   66    H    ASN   8           H        ASN   8 -14.392   7.636  14.990
   67    HA   ASN   8           HA       ASN   8 -13.830  10.353  14.137
   68    HB2  ASN   8          2HB       ASN   8 -16.190   9.281  13.292
   69    HB3  ASN   8          3HB       ASN   8 -16.673   9.986  14.832
   70   HD21  ASN   8          1HD2      ASN   8 -16.921  12.135  14.992
   71   HD22  ASN   8          2HD2      ASN   8 -16.632  13.252  13.705
   72    H    GLY   9           H        GLY   9 -13.149  11.395  15.883
   73    HA2  GLY   9          2HA       GLY   9 -14.065  10.465  18.522
   74    HA3  GLY   9          3HA       GLY   9 -12.576  11.346  18.214
   75    H    LYS  10           H        LYS  10 -13.438  12.619  20.069
   76    HA   LYS  10           HA       LYS  10 -15.727  14.159  20.035
   77    HB2  LYS  10          2HB       LYS  10 -13.907  13.903  21.858
   78    HB3  LYS  10          3HB       LYS  10 -13.122  15.259  21.060
   79    HG2  LYS  10          2HG       LYS  10 -15.097  16.635  21.425
   80    HG3  LYS  10          3HG       LYS  10 -15.910  15.273  22.201
   81    HD2  LYS  10          2HD       LYS  10 -15.101  16.501  24.003
   82    HD3  LYS  10          3HD       LYS  10 -13.870  15.254  23.786
   83    HE2  LYS  10          2HE       LYS  10 -13.556  17.844  22.349
   84    HE3  LYS  10          3HE       LYS  10 -13.218  17.790  24.079
   85    HZ1  LYS  10          1HZ       LYS  10 -11.231  16.991  23.573
   86    HZ2  LYS  10          2HZ       LYS  10 -11.621  16.879  21.932
   87    HZ3  LYS  10          3HZ       LYS  10 -11.963  15.589  22.971
   88    H    THR  11           H        THR  11 -12.497  15.140  18.884
   89    HA   THR  11           HA       THR  11 -13.795  16.885  16.921
   90    HB   THR  11           HB       THR  11 -11.917  18.592  17.444
   91    HG1  THR  11           HG1      THR  11 -11.802  16.847  19.627
   92   HG21  THR  11          1HG2      THR  11 -13.618  18.910  19.719
   93   HG22  THR  11          2HG2      THR  11 -14.569  18.278  18.375
   94   HG23  THR  11          3HG2      THR  11 -13.654  19.773  18.182
   95    H    LEU  12           H        LEU  12 -12.336  14.308  16.837
   96    HA   LEU  12           HA       LEU  12 -10.135  15.130  15.056
   97    HB2  LEU  12          2HB       LEU  12  -9.128  12.893  15.597
   98    HB3  LEU  12          3HB       LEU  12  -9.131  14.072  16.907
   99    HG   LEU  12           HG       LEU  12 -11.386  12.152  16.826
  100   HD11  LEU  12          1HD1      LEU  12 -10.176  10.301  16.899
  101   HD12  LEU  12          2HD1      LEU  12  -9.294  10.928  18.291
  102   HD13  LEU  12          3HD1      LEU  12  -8.703  11.241  16.659
  103   HD21  LEU  12          1HD2      LEU  12 -11.610  13.332  18.726
  104   HD22  LEU  12          2HD2      LEU  12  -9.910  13.801  18.757
  105   HD23  LEU  12          3HD2      LEU  12 -10.397  12.212  19.348
  106    H    LYS  13           H        LYS  13 -10.193  14.409  13.015
  107    HA   LYS  13           HA       LYS  13 -12.502  12.935  12.127
  108    HB2  LYS  13          2HB       LYS  13 -10.244  14.374  10.824
  109    HB3  LYS  13          3HB       LYS  13 -11.079  13.144   9.884
  110    HG2  LYS  13          2HG       LYS  13 -12.349  14.919   9.305
  111    HG3  LYS  13          3HG       LYS  13 -13.203  14.474  10.785
  112    HD2  LYS  13          2HD       LYS  13 -12.901  16.712  11.156
  113    HD3  LYS  13          3HD       LYS  13 -11.423  16.079  11.886
  114    HE2  LYS  13          2HE       LYS  13 -10.593  17.781  10.577
  115    HE3  LYS  13          3HE       LYS  13 -10.442  16.401   9.491
  116    HZ1  LYS  13          1HZ       LYS  13 -12.718  18.308   9.482
  117    HZ2  LYS  13          2HZ       LYS  13 -12.453  17.049   8.383
  118    HZ3  LYS  13          3HZ       LYS  13 -11.404  18.375   8.417
  119    H    GLY  14           H        GLY  14 -12.206  11.111  10.527
  120    HA2  GLY  14          2HA       GLY  14  -9.847   9.509  10.669
  121    HA3  GLY  14          3HA       GLY  14 -11.102   8.890  11.732
  122    H    GLU  15           H        GLU  15  -9.829   7.888   9.175
  123    HA   GLU  15           HA       GLU  15 -12.080   6.609   8.107
  124    HB2  GLU  15          2HB       GLU  15 -11.989   7.696   5.803
  125    HB3  GLU  15          3HB       GLU  15 -12.777   8.612   7.079
  126    HG2  GLU  15          2HG       GLU  15 -10.845  10.011   7.345
  127    HG3  GLU  15          3HG       GLU  15  -9.931   9.029   6.202
  128    H    THR  16           H        THR  16 -11.245   4.733   7.513
  129    HA   THR  16           HA       THR  16  -9.095   4.552   5.631
  130    HB   THR  16           HB       THR  16  -7.877   2.947   7.413
  131    HG1  THR  16           HG1      THR  16  -8.323   3.483   9.408
  132   HG21  THR  16          1HG2      THR  16  -6.159   4.512   7.463
  133   HG22  THR  16          2HG2      THR  16  -7.273   5.878   7.529
  134   HG23  THR  16          3HG2      THR  16  -7.062   4.985   6.025
  135    H    THR  17           H        THR  17  -8.929   2.517   4.700
  136    HA   THR  17           HA       THR  17 -11.047   0.631   5.486
  137    HB   THR  17           HB       THR  17 -11.113  -0.164   3.242
  138    HG1  THR  17           HG1      THR  17  -9.598   0.581   1.682
  139   HG21  THR  17          1HG2      THR  17 -12.306   1.925   3.564
  140   HG22  THR  17          2HG2      THR  17 -11.591   1.891   1.952
  141   HG23  THR  17          3HG2      THR  17 -10.839   2.844   3.231
  142    H    THR  18           H        THR  18 -10.553  -1.696   4.985
  143    HA   THR  18           HA       THR  18  -7.870  -2.600   4.834
  144    HB   THR  18           HB       THR  18  -7.822  -1.737   7.157
  145    HG1  THR  18           HG1      THR  18  -6.435  -3.340   7.205
  146   HG21  THR  18          1HG2      THR  18  -9.286  -2.356   8.790
  147   HG22  THR  18          2HG2      THR  18  -9.558  -3.954   8.093
  148   HG23  THR  18          3HG2      THR  18 -10.359  -2.543   7.402
  149    H    GLU  19           H        GLU  19  -7.829  -4.691   4.220
  150    HA   GLU  19           HA       GLU  19 -10.352  -6.050   3.881
  151    HB2  GLU  19          2HB       GLU  19  -7.522  -6.658   3.057
  152    HB3  GLU  19          3HB       GLU  19  -8.814  -7.834   2.850
  153    HG2  GLU  19          2HG       GLU  19  -9.851  -6.618   1.213
  154    HG3  GLU  19          3HG       GLU  19  -9.202  -5.084   1.788
  155    H    ALA  20           H        ALA  20 -10.997  -7.957   4.824
  156    HA   ALA  20           HA       ALA  20  -9.272  -9.150   6.867
  157    HB1  ALA  20          1HB       ALA  20 -11.999  -7.992   7.354
  158    HB2  ALA  20          2HB       ALA  20 -11.311  -9.238   8.396
  159    HB3  ALA  20          3HB       ALA  20 -10.496  -7.683   8.226
  160    H    VAL  21           H        VAL  21 -10.649 -11.095   7.881
  161    HA   VAL  21           HA       VAL  21 -11.896 -12.537   5.632
  162    HB   VAL  21           HB       VAL  21 -10.032 -13.697   7.708
  163   HG11  VAL  21          1HG1      VAL  21 -11.492 -15.013   5.419
  164   HG12  VAL  21          2HG1      VAL  21 -10.253 -15.783   6.413
  165   HG13  VAL  21          3HG1      VAL  21 -11.778 -15.275   7.140
  166   HG21  VAL  21          1HG2      VAL  21  -8.581 -14.162   5.751
  167   HG22  VAL  21          2HG2      VAL  21  -9.688 -13.226   4.749
  168   HG23  VAL  21          3HG2      VAL  21  -8.807 -12.440   6.057
  169    H    ASP  22           H        ASP  22 -11.583 -12.329   9.160
  170    HA   ASP  22           HA       ASP  22 -14.361 -13.284   9.373
  171    HB2  ASP  22          2HB       ASP  22 -12.134 -13.928  11.318
  172    HB3  ASP  22          3HB       ASP  22 -13.803 -14.489  11.407
  173    H    ALA  23           H        ALA  23 -15.145 -12.810  11.753
  174    HA   ALA  23           HA       ALA  23 -15.237  -9.999  12.016
  175    HB1  ALA  23          1HB       ALA  23 -16.085 -12.163  13.938
  176    HB2  ALA  23          2HB       ALA  23 -16.479 -10.451  14.104
  177    HB3  ALA  23          3HB       ALA  23 -17.092 -11.367  12.729
  178    H    ALA  24           H        ALA  24 -13.141 -12.414  13.345
  179    HA   ALA  24           HA       ALA  24 -12.128 -10.679  15.438
  180    HB1  ALA  24          1HB       ALA  24 -11.518 -13.482  14.570
  181    HB2  ALA  24          2HB       ALA  24 -10.474 -12.628  15.707
  182    HB3  ALA  24          3HB       ALA  24 -12.169 -12.909  16.107
  183    H    THR  25           H        THR  25 -11.228 -11.749  12.230
  184    HA   THR  25           HA       THR  25  -8.545 -11.127  12.137
  185    HB   THR  25           HB       THR  25 -10.606 -10.703   9.965
  186    HG1  THR  25           HG1      THR  25 -10.104 -12.895  10.970
  187   HG21  THR  25          1HG2      THR  25  -8.059 -11.326   8.906
  188   HG22  THR  25          2HG2      THR  25  -7.834 -10.003  10.050
  189   HG23  THR  25          3HG2      THR  25  -8.978  -9.833   8.719
  190    H    ALA  26           H        ALA  26 -11.318  -8.958  11.846
  191    HA   ALA  26           HA       ALA  26  -9.673  -6.646  11.335
  192    HB1  ALA  26          1HB       ALA  26 -12.580  -7.181  11.593
  193    HB2  ALA  26          2HB       ALA  26 -12.017  -5.535  11.886
  194    HB3  ALA  26          3HB       ALA  26 -11.693  -6.316  10.338
  195    H    GLU  27           H        GLU  27 -11.065  -8.226  14.101
  196    HA   GLU  27           HA       GLU  27 -10.824  -6.000  15.883
  197    HB2  GLU  27          2HB       GLU  27 -12.431  -7.623  16.488
  198    HB3  GLU  27          3HB       GLU  27 -11.293  -8.946  16.283
  199    HG2  GLU  27          2HG       GLU  27 -10.698  -6.884  18.334
  200    HG3  GLU  27          3HG       GLU  27 -11.973  -8.056  18.664
  201    H    LYS  28           H        LYS  28  -8.789  -8.693  14.946
  202    HA   LYS  28           HA       LYS  28  -6.824  -8.154  16.999
  203    HB2  LYS  28          2HB       LYS  28  -5.651 -10.036  16.176
  204    HB3  LYS  28          3HB       LYS  28  -7.355 -10.453  16.061
  205    HG2  LYS  28          2HG       LYS  28  -6.830 -11.096  13.987
  206    HG3  LYS  28          3HG       LYS  28  -6.917  -9.373  13.612
  207    HD2  LYS  28          2HD       LYS  28  -4.617  -9.129  13.596
  208    HD3  LYS  28          3HD       LYS  28  -4.356 -10.548  14.611
  209    HE2  LYS  28          2HE       LYS  28  -4.847 -12.023  12.807
  210    HE3  LYS  28          3HE       LYS  28  -5.421 -10.696  11.799
  211    HZ1  LYS  28          1HZ       LYS  28  -3.177 -11.447  11.206
  212    HZ2  LYS  28          2HZ       LYS  28  -2.624 -11.011  12.744
  213    HZ3  LYS  28          3HZ       LYS  28  -3.199  -9.824  11.686
  214    H    VAL  29           H        VAL  29  -7.413  -7.280  13.700
  215    HA   VAL  29           HA       VAL  29  -4.711  -6.365  13.219
  216    HB   VAL  29           HB       VAL  29  -6.417  -7.265  11.469
  217   HG11  VAL  29          1HG1      VAL  29  -7.098  -4.398  11.064
  218   HG12  VAL  29          2HG1      VAL  29  -7.979  -5.848  10.581
  219   HG13  VAL  29          3HG1      VAL  29  -8.007  -5.316  12.263
  220   HG21  VAL  29          1HG2      VAL  29  -5.364  -5.831   9.718
  221   HG22  VAL  29          2HG2      VAL  29  -4.665  -4.855  11.010
  222   HG23  VAL  29          3HG2      VAL  29  -4.216  -6.553  10.847
  223    H    PHE  30           H        PHE  30  -7.665  -5.078  14.447
  224    HA   PHE  30           HA       PHE  30  -6.845  -2.317  14.041
  225    HB2  PHE  30          2HB       PHE  30  -9.329  -3.682  14.971
  226    HB3  PHE  30          3HB       PHE  30  -9.047  -2.027  15.501
  227    HD1  PHE  30           HD1      PHE  30  -7.813  -0.800  13.173
  228    HD2  PHE  30           HD2      PHE  30 -11.017  -3.591  13.404
  229    HE1  PHE  30           HE1      PHE  30  -8.690   0.035  11.031
  230    HE2  PHE  30           HE2      PHE  30 -11.899  -2.761  11.262
  231    HZ   PHE  30           HZ       PHE  30 -10.735  -0.948  10.072
  232    H    LYS  31           H        LYS  31  -6.827  -4.749  16.501
  233    HA   LYS  31           HA       LYS  31  -6.747  -3.286  18.837
  234    HB2  LYS  31          2HB       LYS  31  -5.682  -5.142  19.849
  235    HB3  LYS  31          3HB       LYS  31  -6.684  -5.808  18.567
  236    HG2  LYS  31          2HG       LYS  31  -4.798  -6.974  18.142
  237    HG3  LYS  31          3HG       LYS  31  -4.412  -5.531  17.202
  238    HD2  LYS  31          2HD       LYS  31  -2.848  -4.805  18.702
  239    HD3  LYS  31          3HD       LYS  31  -3.662  -5.556  20.078
  240    HE2  LYS  31          2HE       LYS  31  -2.978  -7.785  19.011
  241    HE3  LYS  31          3HE       LYS  31  -1.877  -6.826  18.024
  242    HZ1  LYS  31          1HZ       LYS  31  -0.809  -7.710  20.022
  243    HZ2  LYS  31          2HZ       LYS  31  -1.906  -6.863  20.993
  244    HZ3  LYS  31          3HZ       LYS  31  -0.815  -6.017  20.015
  245    H    GLN  32           H        GLN  32  -4.270  -3.678  16.399
  246    HA   GLN  32           HA       GLN  32  -2.258  -2.365  18.027
  247    HB2  GLN  32          2HB       GLN  32  -1.587  -4.202  16.554
  248    HB3  GLN  32          3HB       GLN  32  -2.172  -3.311  15.157
  249    HG2  GLN  32          2HG       GLN  32  -0.474  -1.666  15.390
  250    HG3  GLN  32          3HG       GLN  32   0.009  -2.303  16.961
  251   HE21  GLN  32          1HE2      GLN  32   0.894  -2.140  13.844
  252   HE22  GLN  32          2HE2      GLN  32   1.831  -3.586  13.712
  253    H    TYR  33           H        TYR  33  -4.417  -1.631  15.374
  254    HA   TYR  33           HA       TYR  33  -3.231   0.824  14.608
  255    HB2  TYR  33          2HB       TYR  33  -5.890  -0.473  14.164
  256    HB3  TYR  33          3HB       TYR  33  -5.691   1.227  13.757
  257    HD1  TYR  33           HD1      TYR  33  -3.519  -1.794  13.347
  258    HD2  TYR  33           HD2      TYR  33  -5.460   1.501  11.482
  259    HE1  TYR  33           HE1      TYR  33  -2.519  -2.432  11.193
  260    HE2  TYR  33           HE2      TYR  33  -4.467   0.871   9.322
  261    HH   TYR  33           HH       TYR  33  -3.546  -1.141   8.235
  262    H    PHE  34           H        PHE  34  -6.005   0.073  16.704
  263    HA   PHE  34           HA       PHE  34  -6.753   2.642  17.392
  264    HB2  PHE  34          2HB       PHE  34  -7.511   0.113  18.159
  265    HB3  PHE  34          3HB       PHE  34  -6.835   0.768  19.647
  266    HD1  PHE  34           HD1      PHE  34  -9.698   0.577  17.591
  267    HD2  PHE  34           HD2      PHE  34  -7.683   3.115  20.351
  268    HE1  PHE  34           HE1      PHE  34 -11.797   1.793  18.002
  269    HE2  PHE  34           HE2      PHE  34  -9.779   4.333  20.767
  270    HZ   PHE  34           HZ       PHE  34 -11.840   3.672  19.592
  271    H    ASN  35           H        ASN  35  -4.092   0.706  18.599
  272    HA   ASN  35           HA       ASN  35  -3.417   2.129  20.885
  273    HB2  ASN  35          2HB       ASN  35  -2.390  -0.032  20.093
  274    HB3  ASN  35          3HB       ASN  35  -1.434   0.913  18.955
  275   HD21  ASN  35          1HD2      ASN  35   0.493   1.515  19.613
  276   HD22  ASN  35          2HD2      ASN  35   1.015   1.642  21.255
  277    H    ASP  36           H        ASP  36  -3.038   2.971  17.547
  278    HA   ASP  36           HA       ASP  36  -0.995   4.879  17.735
  279    HB2  ASP  36          2HB       ASP  36  -1.749   4.083  15.578
  280    HB3  ASP  36          3HB       ASP  36  -3.363   4.731  15.859
  281    H    ASN  37           H        ASN  37  -4.400   5.046  18.505
  282    HA   ASN  37           HA       ASN  37  -4.295   7.928  18.900
  283    HB2  ASN  37          2HB       ASN  37  -6.652   6.223  19.633
  284    HB3  ASN  37          3HB       ASN  37  -6.621   7.884  19.046
  285   HD21  ASN  37          1HD2      ASN  37  -7.980   5.341  18.153
  286   HD22  ASN  37          2HD2      ASN  37  -7.629   5.247  16.464
  287    H    GLY  38           H        GLY  38  -3.963   5.028  20.709
  288    HA2  GLY  38          2HA       GLY  38  -3.394   4.705  22.915
  289    HA3  GLY  38          3HA       GLY  38  -3.245   6.449  23.071
  290    H    LEU  39           H        LEU  39  -6.241   5.291  21.875
  291    HA   LEU  39           HA       LEU  39  -7.459   5.738  24.521
  292    HB2  LEU  39          2HB       LEU  39  -7.869   7.293  22.402
  293    HB3  LEU  39          3HB       LEU  39  -9.063   6.048  22.044
  294    HG   LEU  39           HG       LEU  39 -10.140   6.482  24.214
  295   HD11  LEU  39          1HD1      LEU  39  -9.332   8.854  25.135
  296   HD12  LEU  39          2HD1      LEU  39  -7.790   8.250  24.528
  297   HD13  LEU  39          3HD1      LEU  39  -8.687   7.324  25.732
  298   HD21  LEU  39          1HD2      LEU  39 -10.452   7.849  21.943
  299   HD22  LEU  39          2HD2      LEU  39  -9.961   9.175  22.997
  300   HD23  LEU  39          3HD2      LEU  39 -11.375   8.201  23.404
  301    H    ASP  40           H        ASP  40  -9.619   4.650  24.769
  302    HA   ASP  40           HA       ASP  40  -9.515   1.963  23.565
  303    HB2  ASP  40          2HB       ASP  40 -10.751   1.231  25.638
  304    HB3  ASP  40          3HB       ASP  40  -9.099   1.779  25.912
  305    H    GLY  41           H        GLY  41 -11.036   1.694  22.074
  306    HA2  GLY  41          2HA       GLY  41 -13.739   2.720  22.646
  307    HA3  GLY  41          3HA       GLY  41 -12.998   3.006  21.078
  308    H    GLU  42           H        GLU  42 -15.213   1.858  20.684
  309    HA   GLU  42           HA       GLU  42 -14.660  -1.028  20.450
  310    HB2  GLU  42          2HB       GLU  42 -17.313   0.338  20.931
  311    HB3  GLU  42          3HB       GLU  42 -17.130  -1.371  20.561
  312    HG2  GLU  42          2HG       GLU  42 -15.410  -0.792  22.724
  313    HG3  GLU  42          3HG       GLU  42 -16.971  -0.054  23.076
  314    H    TRP  43           H        TRP  43 -15.641  -2.091  18.605
  315    HA   TRP  43           HA       TRP  43 -16.226  -0.266  16.371
  316    HB2  TRP  43          2HB       TRP  43 -14.851  -1.517  14.882
  317    HB3  TRP  43          3HB       TRP  43 -13.876  -1.209  16.316
  318    HD1  TRP  43           HD1      TRP  43 -13.749  -3.370  18.103
  319    HE1  TRP  43           HE1      TRP  43 -13.574  -5.878  17.553
  320    HE3  TRP  43           HE3      TRP  43 -15.431  -3.260  13.277
  321    HZ2  TRP  43           HZ2      TRP  43 -14.082  -7.584  15.361
  322    HZ3  TRP  43           HZ3      TRP  43 -15.556  -5.374  12.023
  323    HH2  TRP  43           HH2      TRP  43 -14.895  -7.489  13.046
  324    H    THR  44           H        THR  44 -17.926  -0.809  15.123
  325    HA   THR  44           HA       THR  44 -19.480  -3.140  15.918
  326    HB   THR  44           HB       THR  44 -21.304  -2.184  14.653
  327    HG1  THR  44           HG1      THR  44 -21.018  -0.374  13.369
  328   HG21  THR  44          1HG2      THR  44 -21.547  -0.013  15.798
  329   HG22  THR  44          2HG2      THR  44 -19.842  -0.072  16.243
  330   HG23  THR  44          3HG2      THR  44 -20.963  -1.273  16.882
  331    H    TYR  45           H        TYR  45 -20.373  -4.611  14.363
  332    HA   TYR  45           HA       TYR  45 -18.705  -4.886  11.948
  333    HB2  TYR  45          2HB       TYR  45 -19.353  -7.387  12.215
  334    HB3  TYR  45          3HB       TYR  45 -18.097  -6.720  13.252
  335    HD1  TYR  45           HD1      TYR  45 -21.427  -8.162  13.120
  336    HD2  TYR  45           HD2      TYR  45 -18.587  -6.224  15.626
  337    HE1  TYR  45           HE1      TYR  45 -22.681  -8.902  15.103
  338    HE2  TYR  45           HE2      TYR  45 -19.832  -6.958  17.616
  339    HH   TYR  45           HH       TYR  45 -21.596  -9.149  17.978
  340    H    ASP  46           H        ASP  46 -19.986  -4.026  10.399
  341    HA   ASP  46           HA       ASP  46 -22.706  -5.131  10.131
  342    HB2  ASP  46          2HB       ASP  46 -21.619  -2.439   9.288
  343    HB3  ASP  46          3HB       ASP  46 -23.200  -3.049   8.809
  344    H    ASP  47           H        ASP  47 -22.048  -6.919   8.912
  345    HA   ASP  47           HA       ASP  47 -20.425  -6.694   6.585
  346    HB2  ASP  47          2HB       ASP  47 -21.301  -8.781   8.130
  347    HB3  ASP  47          3HB       ASP  47 -22.283  -8.970   6.679
  348    H    ALA  48           H        ALA  48 -23.795  -6.266   7.225
  349    HA   ALA  48           HA       ALA  48 -24.932  -6.757   4.739
  350    HB1  ALA  48          1HB       ALA  48 -25.916  -5.943   7.083
  351    HB2  ALA  48          2HB       ALA  48 -25.928  -4.402   6.226
  352    HB3  ALA  48          3HB       ALA  48 -26.803  -5.784   5.567
  353    H    THR  49           H        THR  49 -22.990  -4.073   5.830
  354    HA   THR  49           HA       THR  49 -23.214  -2.878   3.144
  355    HB   THR  49           HB       THR  49 -23.121  -0.699   3.993
  356    HG1  THR  49           HG1      THR  49 -22.681  -0.350   6.290
  357   HG21  THR  49          1HG2      THR  49 -25.306  -1.720   4.388
  358   HG22  THR  49          2HG2      THR  49 -24.924  -0.551   5.654
  359   HG23  THR  49          3HG2      THR  49 -24.769  -2.278   5.972
  360    H    LYS  50           H        LYS  50 -21.219  -4.379   5.352
  361    HA   LYS  50           HA       LYS  50 -18.982  -4.783   5.425
  362    HB2  LYS  50          2HB       LYS  50 -18.824  -3.348   2.772
  363    HB3  LYS  50          3HB       LYS  50 -17.683  -4.520   3.418
  364    HG2  LYS  50          2HG       LYS  50 -18.779  -5.993   2.155
  365    HG3  LYS  50          3HG       LYS  50 -20.006  -5.946   3.423
  366    HD2  LYS  50          2HD       LYS  50 -21.399  -4.556   2.203
  367    HD3  LYS  50          3HD       LYS  50 -20.079  -3.944   1.204
  368    HE2  LYS  50          2HE       LYS  50 -20.022  -5.882  -0.106
  369    HE3  LYS  50          3HE       LYS  50 -20.929  -6.818   1.081
  370    HZ1  LYS  50          1HZ       LYS  50 -22.458  -4.602   0.227
  371    HZ2  LYS  50          2HZ       LYS  50 -22.812  -6.251   0.094
  372    HZ3  LYS  50          3HZ       LYS  50 -21.930  -5.474  -1.123
  373    H    THR  51           H        THR  51 -19.746  -2.692   6.921
  374    HA   THR  51           HA       THR  51 -17.405  -0.959   6.794
  375    HB   THR  51           HB       THR  51 -20.234   0.096   6.820
  376    HG1  THR  51           HG1      THR  51 -19.741   0.283   4.771
  377   HG21  THR  51          1HG2      THR  51 -17.735   1.246   7.878
  378   HG22  THR  51          2HG2      THR  51 -19.412   1.616   8.277
  379   HG23  THR  51          3HG2      THR  51 -18.675   2.310   6.833
  380    H    PHE  52           H        PHE  52 -16.634  -0.405   8.767
  381    HA   PHE  52           HA       PHE  52 -18.192  -1.312  11.094
  382    HB2  PHE  52          2HB       PHE  52 -15.198  -0.930  10.937
  383    HB3  PHE  52          3HB       PHE  52 -16.104  -1.687  12.241
  384    HD1  PHE  52           HD1      PHE  52 -17.933  -3.443  10.786
  385    HD2  PHE  52           HD2      PHE  52 -13.823  -2.585  10.092
  386    HE1  PHE  52           HE1      PHE  52 -17.662  -5.635   9.702
  387    HE2  PHE  52           HE2      PHE  52 -13.544  -4.775   9.006
  388    HZ   PHE  52           HZ       PHE  52 -15.466  -6.303   8.809
  389    H    THR  53           H        THR  53 -18.776   0.119  12.601
  390    HA   THR  53           HA       THR  53 -17.953   2.899  12.252
  391    HB   THR  53           HB       THR  53 -19.826   3.527  13.563
  392    HG1  THR  53           HG1      THR  53 -20.970   2.065  14.824
  393   HG21  THR  53          1HG2      THR  53 -20.629   1.131  11.907
  394   HG22  THR  53          2HG2      THR  53 -20.409   2.776  11.309
  395   HG23  THR  53          3HG2      THR  53 -21.706   2.418  12.448
  396    H    VAL  54           H        VAL  54 -16.571   3.896  13.567
  397    HA   VAL  54           HA       VAL  54 -16.080   2.775  16.239
  398    HB   VAL  54           HB       VAL  54 -13.926   3.631  14.301
  399   HG11  VAL  54          1HG1      VAL  54 -13.786   2.760  17.182
  400   HG12  VAL  54          2HG1      VAL  54 -12.388   2.838  16.109
  401   HG13  VAL  54          3HG1      VAL  54 -13.284   4.306  16.500
  402   HG21  VAL  54          1HG2      VAL  54 -13.254   1.359  14.219
  403   HG22  VAL  54          2HG2      VAL  54 -14.356   0.912  15.521
  404   HG23  VAL  54          3HG2      VAL  54 -14.995   1.373  13.944
  405    H    THR  55           H        THR  55 -15.563   4.252  17.829
  406    HA   THR  55           HA       THR  55 -15.585   7.091  17.041
  407    HB   THR  55           HB       THR  55 -16.735   7.381  19.383
  408    HG1  THR  55           HG1      THR  55 -18.226   5.554  19.673
  409   HG21  THR  55          1HG2      THR  55 -18.534   6.284  17.257
  410   HG22  THR  55          2HG2      THR  55 -17.618   7.763  16.959
  411   HG23  THR  55          3HG2      THR  55 -18.760   7.687  18.300
  412    H    GLU  56           H        GLU  56 -13.494   7.625  17.363
  413    HA   GLU  56           HA       GLU  56 -11.786   6.568  19.306
  414    HB2  GLU  56          2HB       GLU  56 -11.240   7.983  17.215
  415    HB3  GLU  56          3HB       GLU  56 -11.516   9.373  18.256
  416    HG2  GLU  56          2HG       GLU  56  -9.591   7.204  19.008
  417    HG3  GLU  56          3HG       GLU  56  -9.120   8.545  17.966
  Start of MODEL   10
    1    H1   MET   1           H        MET   1 -10.622 -10.712   3.027
    2    HA   MET   1           HA       MET   1 -12.651 -10.219   0.948
    3    HB2  MET   1          2HB       MET   1 -13.249 -11.465   3.214
    4    HB3  MET   1          3HB       MET   1 -13.317  -9.818   3.826
    5    HG2  MET   1          2HG       MET   1 -15.514 -10.439   3.191
    6    HG3  MET   1          3HG       MET   1 -14.924  -9.284   1.999
    7    HE1  MET   1          1HE       MET   1 -17.474 -11.030   0.691
    8    HE2  MET   1          2HE       MET   1 -16.484  -9.596   0.415
    9    HE3  MET   1          3HE       MET   1 -16.527 -10.883  -0.791
   10    H    THR   2           H        THR   2 -13.677  -8.085   1.055
   11    HA   THR   2           HA       THR   2 -11.742  -6.046   1.923
   12    HB   THR   2           HB       THR   2 -13.890  -5.897  -0.200
   13    HG1  THR   2           HG1      THR   2 -11.866  -7.060  -0.656
   14   HG21  THR   2          1HG2      THR   2 -11.893  -3.812   0.687
   15   HG22  THR   2          2HG2      THR   2 -13.641  -3.740   0.909
   16   HG23  THR   2          3HG2      THR   2 -12.954  -3.680  -0.715
   17    H    PHE   3           H        PHE   3 -12.276  -4.634   3.463
   18    HA   PHE   3           HA       PHE   3 -15.075  -4.030   3.997
   19    HB2  PHE   3          2HB       PHE   3 -13.218  -5.348   5.967
   20    HB3  PHE   3          3HB       PHE   3 -14.579  -4.370   6.504
   21    HD1  PHE   3           HD1      PHE   3 -13.520  -7.548   5.179
   22    HD2  PHE   3           HD2      PHE   3 -16.895  -5.058   5.901
   23    HE1  PHE   3           HE1      PHE   3 -15.004  -9.496   4.940
   24    HE2  PHE   3           HE2      PHE   3 -18.384  -7.001   5.664
   25    HZ   PHE   3           HZ       PHE   3 -17.439  -9.224   5.184
   26    H    LYS   4           H        LYS   4 -15.381  -2.131   5.279
   27    HA   LYS   4           HA       LYS   4 -12.992  -0.406   5.386
   28    HB2  LYS   4          2HB       LYS   4 -14.247   1.434   4.684
   29    HB3  LYS   4          3HB       LYS   4 -14.858   0.123   3.683
   30    HG2  LYS   4          2HG       LYS   4 -16.782  -0.119   5.163
   31    HG3  LYS   4          3HG       LYS   4 -16.166   1.183   6.183
   32    HD2  LYS   4          2HD       LYS   4 -17.714   2.272   4.838
   33    HD3  LYS   4          3HD       LYS   4 -16.190   2.577   4.000
   34    HE2  LYS   4          2HE       LYS   4 -16.693   1.126   2.284
   35    HE3  LYS   4          3HE       LYS   4 -17.796   0.170   3.272
   36    HZ1  LYS   4          1HZ       LYS   4 -19.486   1.358   2.519
   37    HZ2  LYS   4          2HZ       LYS   4 -18.439   2.205   1.496
   38    HZ3  LYS   4          3HZ       LYS   4 -18.777   2.802   3.043
   39    H    ALA   5           H        ALA   5 -12.905   1.164   7.083
   40    HA   ALA   5           HA       ALA   5 -14.757   0.766   9.315
   41    HB1  ALA   5          1HB       ALA   5 -11.872   0.896  10.006
   42    HB2  ALA   5          2HB       ALA   5 -13.204   0.103  10.847
   43    HB3  ALA   5          3HB       ALA   5 -12.511  -0.633   9.402
   44    H    ILE   6           H        ILE   6 -15.559   2.742   9.607
   45    HA   ILE   6           HA       ILE   6 -13.965   5.103   9.087
   46    HB   ILE   6           HB       ILE   6 -16.830   4.728   9.942
   47   HG12  ILE   6          2HG1      ILE   6 -17.099   5.992   7.690
   48   HG13  ILE   6          3HG1      ILE   6 -15.426   5.524   7.405
   49   HG21  ILE   6          1HG2      ILE   6 -15.197   7.232   9.734
   50   HG22  ILE   6          2HG2      ILE   6 -16.942   7.253   9.484
   51   HG23  ILE   6          3HG2      ILE   6 -16.279   6.716  11.028
   52   HD11  ILE   6          1HD1      ILE   6 -16.954   3.257   8.267
   53   HD12  ILE   6          2HD1      ILE   6 -17.725   4.036   6.884
   54   HD13  ILE   6          3HD1      ILE   6 -16.048   3.501   6.773
   55    H    ILE   7           H        ILE   7 -13.200   6.537  10.573
   56    HA   ILE   7           HA       ILE   7 -13.602   5.866  13.413
   57    HB   ILE   7           HB       ILE   7 -11.190   6.999  13.544
   58   HG12  ILE   7          2HG1      ILE   7 -10.830   5.378  11.057
   59   HG13  ILE   7          3HG1      ILE   7 -11.353   7.052  10.908
   60   HG21  ILE   7          1HG2      ILE   7 -10.253   4.648  13.461
   61   HG22  ILE   7          2HG2      ILE   7 -11.613   4.909  14.553
   62   HG23  ILE   7          3HG2      ILE   7 -11.872   4.123  12.996
   63   HD11  ILE   7          1HD1      ILE   7  -9.201   7.580  10.941
   64   HD12  ILE   7          2HD1      ILE   7  -9.228   7.186  12.661
   65   HD13  ILE   7          3HD1      ILE   7  -8.735   5.969  11.484
   66    H    ASN   8           H        ASN   8 -13.809   7.559  14.845
   67    HA   ASN   8           HA       ASN   8 -13.482  10.290  13.918
   68    HB2  ASN   8          2HB       ASN   8 -15.878   9.339  13.383
   69    HB3  ASN   8          3HB       ASN   8 -16.152   9.627  15.099
   70   HD21  ASN   8          1HD2      ASN   8 -17.589  11.273  14.867
   71   HD22  ASN   8          2HD2      ASN   8 -17.176  12.819  14.214
   72    H    GLY   9           H        GLY   9 -13.481  11.839  15.618
   73    HA2  GLY   9          2HA       GLY   9 -13.499  10.713  18.340
   74    HA3  GLY   9          3HA       GLY   9 -12.113  11.640  17.784
   75    H    LYS  10           H        LYS  10 -12.929  12.747  19.883
   76    HA   LYS  10           HA       LYS  10 -15.210  14.289  20.015
   77    HB2  LYS  10          2HB       LYS  10 -13.449  13.947  21.809
   78    HB3  LYS  10          3HB       LYS  10 -12.513  15.206  21.013
   79    HG2  LYS  10          2HG       LYS  10 -14.629  16.648  21.285
   80    HG3  LYS  10          3HG       LYS  10 -15.119  15.430  22.464
   81    HD2  LYS  10          2HD       LYS  10 -12.406  16.689  22.619
   82    HD3  LYS  10          3HD       LYS  10 -13.818  17.526  23.268
   83    HE2  LYS  10          2HE       LYS  10 -14.142  15.972  24.929
   84    HE3  LYS  10          3HE       LYS  10 -13.368  14.678  24.017
   85    HZ1  LYS  10          1HZ       LYS  10 -11.825  15.153  25.641
   86    HZ2  LYS  10          2HZ       LYS  10 -12.125  16.817  25.613
   87    HZ3  LYS  10          3HZ       LYS  10 -11.257  16.094  24.354
   88    H    THR  11           H        THR  11 -12.045  15.232  18.688
   89    HA   THR  11           HA       THR  11 -13.413  17.170  16.968
   90    HB   THR  11           HB       THR  11 -10.846  17.995  18.274
   91    HG1  THR  11           HG1      THR  11 -12.463  17.447  19.919
   92   HG21  THR  11          1HG2      THR  11 -13.085  19.289  16.791
   93   HG22  THR  11          2HG2      THR  11 -11.343  19.511  16.622
   94   HG23  THR  11          3HG2      THR  11 -12.198  20.241  17.980
   95    H    LEU  12           H        LEU  12 -12.117  14.534  16.585
   96    HA   LEU  12           HA       LEU  12 -10.132  15.372  14.578
   97    HB2  LEU  12          2HB       LEU  12  -8.693  13.636  15.102
   98    HB3  LEU  12          3HB       LEU  12  -9.236  14.199  16.682
   99    HG   LEU  12           HG       LEU  12 -11.026  12.222  16.214
  100   HD11  LEU  12          1HD1      LEU  12  -8.663  11.704  14.526
  101   HD12  LEU  12          2HD1      LEU  12 -10.324  11.133  14.367
  102   HD13  LEU  12          3HD1      LEU  12  -9.231  10.356  15.512
  103   HD21  LEU  12          1HD2      LEU  12  -8.689  12.649  17.827
  104   HD22  LEU  12          2HD2      LEU  12  -8.820  10.946  17.383
  105   HD23  LEU  12          3HD2      LEU  12 -10.160  11.750  18.203
  106    H    LYS  13           H        LYS  13 -10.282  14.440  12.592
  107    HA   LYS  13           HA       LYS  13 -12.702  12.917  12.058
  108    HB2  LYS  13          2HB       LYS  13 -12.195  13.330   9.698
  109    HB3  LYS  13          3HB       LYS  13 -12.176  14.826  10.622
  110    HG2  LYS  13          2HG       LYS  13  -9.582  13.463  10.347
  111    HG3  LYS  13          3HG       LYS  13 -10.272  14.121   8.861
  112    HD2  LYS  13          2HD       LYS  13 -10.680  16.182  10.576
  113    HD3  LYS  13          3HD       LYS  13  -9.184  15.503  11.221
  114    HE2  LYS  13          2HE       LYS  13  -8.332  15.544   8.816
  115    HE3  LYS  13          3HE       LYS  13  -9.719  16.574   8.464
  116    HZ1  LYS  13          1HZ       LYS  13  -8.255  17.445  10.765
  117    HZ2  LYS  13          2HZ       LYS  13  -8.725  18.317   9.395
  118    HZ3  LYS  13          3HZ       LYS  13  -7.295  17.413   9.372
  119    H    GLY  14           H        GLY  14 -12.443  11.177  10.271
  120    HA2  GLY  14          2HA       GLY  14 -10.002   9.703  10.183
  121    HA3  GLY  14          3HA       GLY  14 -11.138   8.979  11.311
  122    H    GLU  15           H        GLU  15 -10.048   7.982   8.747
  123    HA   GLU  15           HA       GLU  15 -12.355   6.741   7.757
  124    HB2  GLU  15          2HB       GLU  15 -12.320   7.808   5.445
  125    HB3  GLU  15          3HB       GLU  15 -13.041   8.755   6.739
  126    HG2  GLU  15          2HG       GLU  15 -11.313  10.271   6.781
  127    HG3  GLU  15          3HG       GLU  15 -10.162   9.138   6.077
  128    H    THR  16           H        THR  16 -11.636   4.861   7.028
  129    HA   THR  16           HA       THR  16  -9.629   4.562   5.074
  130    HB   THR  16           HB       THR  16  -8.282   3.111   7.016
  131    HG1  THR  16           HG1      THR  16  -7.844   4.870   8.571
  132   HG21  THR  16          1HG2      THR  16  -7.633   4.827   5.053
  133   HG22  THR  16          2HG2      THR  16  -6.486   4.294   6.283
  134   HG23  THR  16          3HG2      THR  16  -7.304   5.847   6.454
  135    H    THR  17           H        THR  17  -9.268   2.346   4.485
  136    HA   THR  17           HA       THR  17 -11.235   0.489   5.658
  137    HB   THR  17           HB       THR  17 -11.705  -0.442   3.522
  138    HG1  THR  17           HG1      THR  17 -10.341  -0.303   1.900
  139   HG21  THR  17          1HG2      THR  17 -12.356   2.135   4.142
  140   HG22  THR  17          2HG2      THR  17 -13.009   1.233   2.775
  141   HG23  THR  17          3HG2      THR  17 -11.642   2.321   2.541
  142    H    THR  18           H        THR  18 -10.685  -1.858   4.904
  143    HA   THR  18           HA       THR  18  -7.981  -2.551   4.437
  144    HB   THR  18           HB       THR  18  -7.720  -1.747   6.764
  145    HG1  THR  18           HG1      THR  18  -6.452  -3.445   7.300
  146   HG21  THR  18          1HG2      THR  18  -9.570  -4.030   7.469
  147   HG22  THR  18          2HG2      THR  18  -9.985  -2.318   7.560
  148   HG23  THR  18          3HG2      THR  18  -8.727  -2.977   8.605
  149    H    GLU  19           H        GLU  19  -7.726  -4.737   4.044
  150    HA   GLU  19           HA       GLU  19 -10.155  -6.211   3.618
  151    HB2  GLU  19          2HB       GLU  19  -7.305  -7.159   3.288
  152    HB3  GLU  19          3HB       GLU  19  -8.745  -7.888   2.591
  153    HG2  GLU  19          2HG       GLU  19  -7.927  -5.075   1.956
  154    HG3  GLU  19          3HG       GLU  19  -7.292  -6.461   1.071
  155    H    ALA  20           H        ALA  20 -10.814  -8.105   4.605
  156    HA   ALA  20           HA       ALA  20  -9.278  -9.108   6.876
  157    HB1  ALA  20          1HB       ALA  20 -12.127  -8.148   7.118
  158    HB2  ALA  20          2HB       ALA  20 -11.239  -9.033   8.360
  159    HB3  ALA  20          3HB       ALA  20 -10.706  -7.424   7.871
  160    H    VAL  21           H        VAL  21 -10.407 -11.093   7.828
  161    HA   VAL  21           HA       VAL  21 -11.569 -12.663   5.620
  162    HB   VAL  21           HB       VAL  21  -9.864 -13.627   7.921
  163   HG11  VAL  21          1HG1      VAL  21 -11.124 -15.156   5.647
  164   HG12  VAL  21          2HG1      VAL  21  -9.963 -15.817   6.799
  165   HG13  VAL  21          3HG1      VAL  21 -11.547 -15.277   7.353
  166   HG21  VAL  21          1HG2      VAL  21  -9.293 -13.481   4.962
  167   HG22  VAL  21          2HG2      VAL  21  -8.589 -12.447   6.205
  168   HG23  VAL  21          3HG2      VAL  21  -8.228 -14.173   6.185
  169    H    ASP  22           H        ASP  22 -11.604 -12.145   9.123
  170    HA   ASP  22           HA       ASP  22 -14.395 -13.044   9.157
  171    HB2  ASP  22          2HB       ASP  22 -12.553 -14.748  10.032
  172    HB3  ASP  22          3HB       ASP  22 -12.681 -13.765  11.488
  173    H    ALA  23           H        ALA  23 -15.240 -12.594  11.560
  174    HA   ALA  23           HA       ALA  23 -15.246  -9.785  11.845
  175    HB1  ALA  23          1HB       ALA  23 -17.116 -11.277  12.497
  176    HB2  ALA  23          2HB       ALA  23 -16.153 -11.826  13.869
  177    HB3  ALA  23          3HB       ALA  23 -16.653 -10.138  13.762
  178    H    ALA  24           H        ALA  24 -13.237 -12.265  13.170
  179    HA   ALA  24           HA       ALA  24 -12.233 -10.597  15.321
  180    HB1  ALA  24          1HB       ALA  24 -12.328 -12.836  15.945
  181    HB2  ALA  24          2HB       ALA  24 -11.668 -13.394  14.407
  182    HB3  ALA  24          3HB       ALA  24 -10.622 -12.587  15.575
  183    H    THR  25           H        THR  25 -11.236 -11.697  12.137
  184    HA   THR  25           HA       THR  25  -8.555 -11.072  12.130
  185    HB   THR  25           HB       THR  25 -10.530 -10.656   9.878
  186    HG1  THR  25           HG1      THR  25 -10.156 -12.839  10.894
  187   HG21  THR  25          1HG2      THR  25  -7.765  -9.979  10.061
  188   HG22  THR  25          2HG2      THR  25  -8.845  -9.842   8.673
  189   HG23  THR  25          3HG2      THR  25  -7.943 -11.332   8.944
  190    H    ALA  26           H        ALA  26 -11.313  -8.904  11.771
  191    HA   ALA  26           HA       ALA  26  -9.658  -6.598  11.263
  192    HB1  ALA  26          1HB       ALA  26 -11.642  -6.225  10.237
  193    HB2  ALA  26          2HB       ALA  26 -12.559  -7.150  11.426
  194    HB3  ALA  26          3HB       ALA  26 -12.037  -5.507  11.799
  195    H    GLU  27           H        GLU  27 -11.102  -8.153  14.016
  196    HA   GLU  27           HA       GLU  27 -10.871  -5.908  15.781
  197    HB2  GLU  27          2HB       GLU  27 -12.522  -7.481  16.379
  198    HB3  GLU  27          3HB       GLU  27 -11.421  -8.837  16.186
  199    HG2  GLU  27          2HG       GLU  27 -10.818  -6.787  18.254
  200    HG3  GLU  27          3HG       GLU  27 -12.096  -7.962  18.560
  201    H    LYS  28           H        LYS  28  -8.864  -8.639  14.904
  202    HA   LYS  28           HA       LYS  28  -6.940  -8.134  17.003
  203    HB2  LYS  28          2HB       LYS  28  -5.665  -9.962  15.974
  204    HB3  LYS  28          3HB       LYS  28  -7.337 -10.427  16.261
  205    HG2  LYS  28          2HG       LYS  28  -7.045 -11.248  14.157
  206    HG3  LYS  28          3HG       LYS  28  -7.642  -9.630  13.774
  207    HD2  LYS  28          2HD       LYS  28  -5.695  -9.011  12.848
  208    HD3  LYS  28          3HD       LYS  28  -4.742  -9.760  14.130
  209    HE2  LYS  28          2HE       LYS  28  -6.110 -11.399  12.019
  210    HE3  LYS  28          3HE       LYS  28  -4.515 -10.696  11.752
  211    HZ1  LYS  28          1HZ       LYS  28  -4.836 -13.094  12.771
  212    HZ2  LYS  28          2HZ       LYS  28  -4.920 -12.215  14.214
  213    HZ3  LYS  28          3HZ       LYS  28  -3.549 -12.096  13.230
  214    H    VAL  29           H        VAL  29  -7.435  -7.238  13.694
  215    HA   VAL  29           HA       VAL  29  -4.708  -6.358  13.289
  216    HB   VAL  29           HB       VAL  29  -6.339  -7.249  11.483
  217   HG11  VAL  29          1HG1      VAL  29  -7.122  -4.339  11.440
  218   HG12  VAL  29          2HG1      VAL  29  -7.700  -5.620  10.371
  219   HG13  VAL  29          3HG1      VAL  29  -8.139  -5.630  12.080
  220   HG21  VAL  29          1HG2      VAL  29  -5.329  -5.261   9.940
  221   HG22  VAL  29          2HG2      VAL  29  -4.292  -5.144  11.363
  222   HG23  VAL  29          3HG2      VAL  29  -4.410  -6.667  10.481
  223    H    PHE  30           H        PHE  30  -7.707  -5.030  14.383
  224    HA   PHE  30           HA       PHE  30  -6.820  -2.282  14.026
  225    HB2  PHE  30          2HB       PHE  30  -9.368  -3.600  14.856
  226    HB3  PHE  30          3HB       PHE  30  -9.082  -1.937  15.355
  227    HD1  PHE  30           HD1      PHE  30  -7.715  -0.801  13.048
  228    HD2  PHE  30           HD2      PHE  30 -10.991  -3.513  13.218
  229    HE1  PHE  30           HE1      PHE  30  -8.478  -0.009  10.848
  230    HE2  PHE  30           HE2      PHE  30 -11.760  -2.726  11.017
  231    HZ   PHE  30           HZ       PHE  30 -10.503  -0.972   9.829
  232    H    LYS  31           H        LYS  31  -6.876  -4.726  16.449
  233    HA   LYS  31           HA       LYS  31  -6.937  -3.306  18.812
  234    HB2  LYS  31          2HB       LYS  31  -5.869  -5.152  19.837
  235    HB3  LYS  31          3HB       LYS  31  -6.790  -5.822  18.496
  236    HG2  LYS  31          2HG       LYS  31  -4.852  -6.923  18.141
  237    HG3  LYS  31          3HG       LYS  31  -4.465  -5.451  17.247
  238    HD2  LYS  31          2HD       LYS  31  -2.596  -5.584  18.544
  239    HD3  LYS  31          3HD       LYS  31  -3.631  -4.673  19.647
  240    HE2  LYS  31          2HE       LYS  31  -2.616  -6.427  20.901
  241    HE3  LYS  31          3HE       LYS  31  -4.311  -6.854  20.671
  242    HZ1  LYS  31          1HZ       LYS  31  -3.778  -8.497  19.159
  243    HZ2  LYS  31          2HZ       LYS  31  -2.517  -8.631  20.277
  244    HZ3  LYS  31          3HZ       LYS  31  -2.258  -7.845  18.801
  245    H    GLN  32           H        GLN  32  -4.354  -3.575  16.473
  246    HA   GLN  32           HA       GLN  32  -2.444  -2.248  18.211
  247    HB2  GLN  32          2HB       GLN  32  -2.354  -3.615  15.586
  248    HB3  GLN  32          3HB       GLN  32  -1.202  -2.307  15.817
  249    HG2  GLN  32          2HG       GLN  32  -0.810  -3.610  18.108
  250    HG3  GLN  32          3HG       GLN  32  -1.350  -4.958  17.109
  251   HE21  GLN  32          1HE2      GLN  32   1.165  -4.955  18.132
  252   HE22  GLN  32          2HE2      GLN  32   2.320  -4.719  16.870
  253    H    TYR  33           H        TYR  33  -4.633  -1.471  15.632
  254    HA   TYR  33           HA       TYR  33  -3.452   1.032  14.934
  255    HB2  TYR  33          2HB       TYR  33  -6.023  -0.359  14.321
  256    HB3  TYR  33          3HB       TYR  33  -5.907   1.370  14.009
  257    HD1  TYR  33           HD1      TYR  33  -5.825  -1.566  12.372
  258    HD2  TYR  33           HD2      TYR  33  -3.336   1.839  12.928
  259    HE1  TYR  33           HE1      TYR  33  -4.715  -2.034  10.227
  260    HE2  TYR  33           HE2      TYR  33  -2.219   1.381  10.786
  261    HH   TYR  33           HH       TYR  33  -1.845  -0.387   9.246
  262    H    PHE  34           H        PHE  34  -6.223   0.085  16.946
  263    HA   PHE  34           HA       PHE  34  -7.132   2.599  17.665
  264    HB2  PHE  34          2HB       PHE  34  -7.203  -0.084  18.981
  265    HB3  PHE  34          3HB       PHE  34  -7.725   1.324  19.901
  266    HD1  PHE  34           HD1      PHE  34  -8.207  -0.006  16.444
  267    HD2  PHE  34           HD2      PHE  34  -9.983   1.671  19.929
  268    HE1  PHE  34           HE1      PHE  34 -10.420  -0.136  15.375
  269    HE2  PHE  34           HE2      PHE  34 -12.198   1.542  18.867
  270    HZ   PHE  34           HZ       PHE  34 -12.420   0.638  16.587
  271    H    ASN  35           H        ASN  35  -4.402   0.774  18.889
  272    HA   ASN  35           HA       ASN  35  -3.873   2.222  21.217
  273    HB2  ASN  35          2HB       ASN  35  -2.779   0.062  20.450
  274    HB3  ASN  35          3HB       ASN  35  -1.757   1.049  19.410
  275   HD21  ASN  35          1HD2      ASN  35   0.104   1.660  20.228
  276   HD22  ASN  35          2HD2      ASN  35   0.493   1.766  21.909
  277    H    ASP  36           H        ASP  36  -3.431   3.052  17.896
  278    HA   ASP  36           HA       ASP  36  -1.389   4.908  17.971
  279    HB2  ASP  36          2HB       ASP  36  -2.729   4.105  15.953
  280    HB3  ASP  36          3HB       ASP  36  -3.925   5.323  16.390
  281    H    ASN  37           H        ASN  37  -4.835   5.426  18.662
  282    HA   ASN  37           HA       ASN  37  -4.432   8.186  19.360
  283    HB2  ASN  37          2HB       ASN  37  -6.562   7.762  18.479
  284    HB3  ASN  37          3HB       ASN  37  -6.778   6.308  19.450
  285   HD21  ASN  37          1HD2      ASN  37  -7.778   6.456  21.356
  286   HD22  ASN  37          2HD2      ASN  37  -8.288   7.933  22.093
  287    H    GLY  38           H        GLY  38  -4.254   5.169  20.988
  288    HA2  GLY  38          2HA       GLY  38  -3.226   4.944  23.116
  289    HA3  GLY  38          3HA       GLY  38  -3.720   6.586  23.498
  290    H    LEU  39           H        LEU  39  -6.396   5.425  22.172
  291    HA   LEU  39           HA       LEU  39  -7.384   4.243  24.684
  292    HB2  LEU  39          2HB       LEU  39  -8.085   6.671  23.965
  293    HB3  LEU  39          3HB       LEU  39  -9.187   5.805  22.897
  294    HG   LEU  39           HG       LEU  39 -10.076   4.639  24.951
  295   HD11  LEU  39          1HD1      LEU  39  -9.406   5.166  27.041
  296   HD12  LEU  39          2HD1      LEU  39  -9.058   6.845  26.627
  297   HD13  LEU  39          3HD1      LEU  39  -7.905   5.577  26.212
  298   HD21  LEU  39          1HD2      LEU  39 -11.691   6.118  24.592
  299   HD22  LEU  39          2HD2      LEU  39 -10.537   7.300  23.973
  300   HD23  LEU  39          3HD2      LEU  39 -10.872   7.217  25.703
  301    H    ASP  40           H        ASP  40  -8.725   2.498  24.537
  302    HA   ASP  40           HA       ASP  40  -9.177   1.433  21.827
  303    HB2  ASP  40          2HB       ASP  40  -8.388   0.137  24.394
  304    HB3  ASP  40          3HB       ASP  40  -9.400  -0.782  23.282
  305    H    GLY  41           H        GLY  41 -11.165   2.692  21.773
  306    HA2  GLY  41          2HA       GLY  41 -13.263   2.299  23.633
  307    HA3  GLY  41          3HA       GLY  41 -13.435   2.950  22.010
  308    H    GLU  42           H        GLU  42 -14.615   1.797  20.641
  309    HA   GLU  42           HA       GLU  42 -14.560  -1.099  20.707
  310    HB2  GLU  42          2HB       GLU  42 -16.877  -1.445  21.089
  311    HB3  GLU  42          3HB       GLU  42 -16.323  -0.373  22.366
  312    HG2  GLU  42          2HG       GLU  42 -17.121   1.472  20.633
  313    HG3  GLU  42          3HG       GLU  42 -18.165   0.151  20.112
  314    H    TRP  43           H        TRP  43 -15.526  -2.068  18.838
  315    HA   TRP  43           HA       TRP  43 -16.084  -0.182  16.649
  316    HB2  TRP  43          2HB       TRP  43 -14.734  -1.403  15.131
  317    HB3  TRP  43          3HB       TRP  43 -13.754  -1.205  16.581
  318    HD1  TRP  43           HD1      TRP  43 -13.721  -3.452  18.262
  319    HE1  TRP  43           HE1      TRP  43 -13.646  -5.935  17.593
  320    HE3  TRP  43           HE3      TRP  43 -15.379  -3.044  13.443
  321    HZ2  TRP  43           HZ2      TRP  43 -14.214  -7.513  15.322
  322    HZ3  TRP  43           HZ3      TRP  43 -15.584  -5.089  12.089
  323    HH2  TRP  43           HH2      TRP  43 -15.012  -7.277  13.011
  324    H    THR  44           H        THR  44 -17.613  -0.815  15.146
  325    HA   THR  44           HA       THR  44 -19.297  -3.064  15.985
  326    HB   THR  44           HB       THR  44 -21.081  -2.059  14.694
  327    HG1  THR  44           HG1      THR  44 -20.681  -0.641  13.169
  328   HG21  THR  44          1HG2      THR  44 -19.738   0.187  16.185
  329   HG22  THR  44          2HG2      THR  44 -20.498  -1.179  17.001
  330   HG23  THR  44          3HG2      THR  44 -21.464  -0.110  15.985
  331    H    TYR  45           H        TYR  45 -20.113  -4.564  14.460
  332    HA   TYR  45           HA       TYR  45 -18.492  -4.780  12.008
  333    HB2  TYR  45          2HB       TYR  45 -19.022  -7.307  12.299
  334    HB3  TYR  45          3HB       TYR  45 -17.764  -6.581  13.294
  335    HD1  TYR  45           HD1      TYR  45 -21.031  -8.167  13.270
  336    HD2  TYR  45           HD2      TYR  45 -18.200  -6.099  15.681
  337    HE1  TYR  45           HE1      TYR  45 -22.189  -8.952  15.293
  338    HE2  TYR  45           HE2      TYR  45 -19.350  -6.880  17.711
  339    HH   TYR  45           HH       TYR  45 -21.006  -8.102  18.534
  340    H    ASP  46           H        ASP  46 -19.869  -3.954  10.515
  341    HA   ASP  46           HA       ASP  46 -22.547  -5.167  10.333
  342    HB2  ASP  46          2HB       ASP  46 -21.681  -2.549   9.099
  343    HB3  ASP  46          3HB       ASP  46 -23.321  -3.175   9.247
  344    H    ASP  47           H        ASP  47 -21.917  -6.961   9.126
  345    HA   ASP  47           HA       ASP  47 -20.341  -6.781   6.767
  346    HB2  ASP  47          2HB       ASP  47 -21.205  -8.837   8.360
  347    HB3  ASP  47          3HB       ASP  47 -22.205  -9.047   6.926
  348    H    ALA  48           H        ALA  48 -23.698  -6.325   7.453
  349    HA   ALA  48           HA       ALA  48 -24.915  -6.866   5.034
  350    HB1  ALA  48          1HB       ALA  48 -26.079  -6.190   7.117
  351    HB2  ALA  48          2HB       ALA  48 -25.565  -4.529   6.823
  352    HB3  ALA  48          3HB       ALA  48 -26.646  -5.331   5.684
  353    H    THR  49           H        THR  49 -22.923  -4.132   5.947
  354    HA   THR  49           HA       THR  49 -23.088  -3.161   3.169
  355    HB   THR  49           HB       THR  49 -24.223  -1.512   4.449
  356    HG1  THR  49           HG1      THR  49 -22.724   0.270   4.261
  357   HG21  THR  49          1HG2      THR  49 -22.346  -0.561   6.319
  358   HG22  THR  49          2HG2      THR  49 -22.403  -2.312   6.518
  359   HG23  THR  49          3HG2      THR  49 -23.882  -1.362   6.646
  360    H    LYS  50           H        LYS  50 -21.156  -4.514   5.481
  361    HA   LYS  50           HA       LYS  50 -18.918  -4.871   5.664
  362    HB2  LYS  50          2HB       LYS  50 -18.734  -3.582   2.937
  363    HB3  LYS  50          3HB       LYS  50 -17.539  -4.635   3.686
  364    HG2  LYS  50          2HG       LYS  50 -18.539  -6.172   2.373
  365    HG3  LYS  50          3HG       LYS  50 -19.637  -6.281   3.750
  366    HD2  LYS  50          2HD       LYS  50 -21.302  -5.070   2.682
  367    HD3  LYS  50          3HD       LYS  50 -20.169  -4.311   1.561
  368    HE2  LYS  50          2HE       LYS  50 -20.278  -7.227   1.350
  369    HE3  LYS  50          3HE       LYS  50 -21.805  -6.428   0.980
  370    HZ1  LYS  50          1HZ       LYS  50 -19.948  -4.931  -0.331
  371    HZ2  LYS  50          2HZ       LYS  50 -20.948  -6.102  -1.031
  372    HZ3  LYS  50          3HZ       LYS  50 -19.382  -6.512  -0.541
  373    H    THR  51           H        THR  51 -19.688  -2.779   7.087
  374    HA   THR  51           HA       THR  51 -17.423  -0.948   6.846
  375    HB   THR  51           HB       THR  51 -20.298  -0.042   7.054
  376    HG1  THR  51           HG1      THR  51 -19.674  -0.268   4.929
  377   HG21  THR  51          1HG2      THR  51 -18.929   2.258   6.949
  378   HG22  THR  51          2HG2      THR  51 -17.764   1.278   7.841
  379   HG23  THR  51          3HG2      THR  51 -19.397   1.496   8.469
  380    H    PHE  52           H        PHE  52 -16.656  -0.179   8.783
  381    HA   PHE  52           HA       PHE  52 -18.007  -1.197  11.196
  382    HB2  PHE  52          2HB       PHE  52 -15.046  -0.675  10.938
  383    HB3  PHE  52          3HB       PHE  52 -15.880  -1.545  12.221
  384    HD1  PHE  52           HD1      PHE  52 -17.642  -3.326  10.708
  385    HD2  PHE  52           HD2      PHE  52 -13.595  -2.211   9.997
  386    HE1  PHE  52           HE1      PHE  52 -17.271  -5.445   9.513
  387    HE2  PHE  52           HE2      PHE  52 -13.219  -4.327   8.801
  388    HZ   PHE  52           HZ       PHE  52 -15.058  -5.947   8.556
  389    H    THR  53           H        THR  53 -18.602   0.244  12.682
  390    HA   THR  53           HA       THR  53 -17.867   3.041  12.277
  391    HB   THR  53           HB       THR  53 -19.718   3.636  13.632
  392    HG1  THR  53           HG1      THR  53 -19.688   2.305  15.359
  393   HG21  THR  53          1HG2      THR  53 -20.608   1.171  12.134
  394   HG22  THR  53          2HG2      THR  53 -20.261   2.722  11.370
  395   HG23  THR  53          3HG2      THR  53 -21.579   2.587  12.535
  396    H    VAL  54           H        VAL  54 -16.555   4.148  13.593
  397    HA   VAL  54           HA       VAL  54 -15.894   3.012  16.222
  398    HB   VAL  54           HB       VAL  54 -13.875   4.072  14.240
  399   HG11  VAL  54          1HG1      VAL  54 -12.318   3.100  16.107
  400   HG12  VAL  54          2HG1      VAL  54 -12.978   4.730  16.253
  401   HG13  VAL  54          3HG1      VAL  54 -13.716   3.397  17.140
  402   HG21  VAL  54          1HG2      VAL  54 -13.034   1.856  14.087
  403   HG22  VAL  54          2HG2      VAL  54 -14.077   1.298  15.396
  404   HG23  VAL  54          3HG2      VAL  54 -14.778   1.754  13.842
  405    H    THR  55           H        THR  55 -15.435   4.492  17.829
  406    HA   THR  55           HA       THR  55 -15.352   7.328  17.166
  407    HB   THR  55           HB       THR  55 -17.079   7.567  19.186
  408    HG1  THR  55           HG1      THR  55 -17.591   5.036  18.019
  409   HG21  THR  55          1HG2      THR  55 -18.056   6.967  16.396
  410   HG22  THR  55          2HG2      THR  55 -17.238   8.466  16.837
  411   HG23  THR  55          3HG2      THR  55 -18.780   8.049  17.585
  412    H    GLU  56           H        GLU  56 -14.257   8.557  18.645
  413    HA   GLU  56           HA       GLU  56 -13.074   7.088  20.905
  414    HB2  GLU  56          2HB       GLU  56 -11.697   8.203  18.931
  415    HB3  GLU  56          3HB       GLU  56 -11.905   9.646  19.914
  416    HG2  GLU  56          2HG       GLU  56  -9.788   8.495  20.359
  417    HG3  GLU  56          3HG       GLU  56 -10.820   8.589  21.784