*HEADER    HORMONE                                 29-DEC-12   2M2N              
*TITLE     STRUCTURE OF [L-HISB24] INSULIN ANALOGUE AT PH 8.0                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSULIN A CHAIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: INSULIN B CHAIN;                                           
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 SYNTHETIC: YES;                                                      
*SOURCE   8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   9 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  10 ORGANISM_TAXID: 9606                                                 
*KEYWDS    INSULIN, HORMONE                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    30                                                                    
*AUTHOR    L.ZAKOVA, V.VEVERKA, J.JIRACEK                                        
*REVDAT   1   06-MAR-13 2M2N    0                                                


#
#  48 VAL  QG2    49 CYX  H       3.75             (#peak     1 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 590, 591, 592,
 &end
#
#  48 VAL  H      48 VAL  QG2     2.98             (#peak     2 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 2, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 590, 591, 592,
 &end
#
#  48 VAL  H      48 VAL  QG1     3.91             (#peak     3 #SUP  1.00)
 &rst
  ixpk= 3, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 586, 587, 588,
 &end
#
#  48 VAL  QG1    49 CYX  H       3.52             (#peak     4 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 586, 587, 588,
 &end
#
#  49 CYX  H      49 CYX  HB2     3.22             (#peak     5 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 5, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  49 CYX  H      49 CYX  HB3     3.43             (#peak     6 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 6, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  48 VAL  H      48 VAL  HB      3.19             (#peak     7 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 7, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  48 VAL  HB     49 CYX  H       3.27             (#peak     8 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 8, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  12 SER  HB2    13 LEU  H       4.68             (#peak    17 #SUP  1.00)
 &rst
  ixpk= 17, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  12 SER  HB3    13 LEU  H       4.68             (#peak    18 #SUP  1.00)
 &rst
  ixpk= 18, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  13 LEU  H      13 LEU  QB      3.90             (#peak    19 #SUP  1.00)
 &rst
  ixpk= 19, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 167, 168,
 &end
#
#  13 LEU  H      13 LEU  HG      4.53             (#peak    21 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 21, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  36 LEU  HA     37 CYX  H       3.25             (#peak    29 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 29, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  37 CYX  H      40 HIE  HB3     3.86             (#peak    30 #SUP  0.67  #QF  0.47)
 &rst
  ixpk= 30, nxpk= 0, iat= 416, 449, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  44 ALA  H      44 ALA  QB      2.70             (#peak    36 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 36, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 515, 516, 517,
 &end
#
#  41 LEU  H      41 LEU  HB2     3.81             (#peak    41 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 41, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  41 LEU  H      41 LEU  HB3     3.81             (#peak    42 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 42, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   3 VAL  H       3 VAL  QG1     3.87             (#peak    43 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 43, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=  36,  37,  38,
 &end
#
#   3 VAL  H       3 VAL  HB      3.18             (#peak    45 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 45, nxpk= 0, iat=  30,  34, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  48 VAL  H      49 CYX  H       3.31             (#peak    46 #SUP  1.00)
 &rst
  ixpk= 46, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  47 LEU  H      48 VAL  H       3.68             (#peak    49 #SUP  1.00)
 &rst
  ixpk= 49, nxpk= 0, iat= 561, 580, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  49 CYX  HB2    50 GLY  H       4.03             (#peak    52 #SUP  1.00)
 &rst
  ixpk= 52, nxpk= 0, iat= 600, 606, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  49 CYX  HB3    50 GLY  H       4.05             (#peak    53 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 53, nxpk= 0, iat= 601, 606, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  20 CYX  HA     21 ASN  H       2.94             (#peak    54 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 54, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  21 ASN  H      21 ASN  HB3     3.73             (#peak    55 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 55, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  21 ASN  H      21 ASN  HB2     3.73             (#peak    56 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 56, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  42 VAL  HA     45 LEU  H       4.07             (#peak    58 #SUP  0.57  #QF  0.26)
 &rst
  ixpk= 58, nxpk= 0, iat= 482, 521, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  20 CYX  H      20 CYX  HB3     3.39             (#peak    59 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 59, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  20 CYX  H      20 CYX  HB2     3.39             (#peak    60 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 60, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  19 TYR  H      19 TYR  HB2     3.10             (#peak    63 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 63, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  18 ASN  HA     19 TYR  H       3.45             (#peak    65 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 65, nxpk= 0, iat= 256, 268, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  18 ASN  H      18 ASN  HB2     3.19             (#peak    67 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 67, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  18 ASN  H      18 ASN  HB3     3.79             (#peak    68 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 68, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  18 ASN  HB3    19 TYR  H       4.25             (#peak    69 #SUP  1.00)
 &rst
  ixpk= 69, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  18 ASN  HB2    19 TYR  H       3.90             (#peak    70 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 70, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 ASN  HB3    21 ASN  HD22    4.07             (#peak    71 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 71, nxpk= 0, iat= 304, 309, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  21 ASN  HB2    21 ASN  HD22    4.07             (#peak    72 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 72, nxpk= 0, iat= 303, 309, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  21 ASN  HB3    21 ASN  HD21    3.45             (#peak    73 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 73, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  21 ASN  HB2    21 ASN  HD21    3.45             (#peak    74 #SUP  1.00)
 &rst
  ixpk= 74, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  19 TYR  HA     19 TYR  QD      3.12             (#peak    84 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 84, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB2    19 TYR  QE      4.31             (#peak    85 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 85, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 278, 283,
 &end
#
#  18 ASN  HB3    19 TYR  QE      4.62             (#peak    86 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 86, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 278, 283,
 &end
#
#  40 HIE  HB3    41 LEU  H       4.63             (#peak    89 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 89, nxpk= 0, iat= 449, 461, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  40 HIE  HB2    41 LEU  H       4.44             (#peak    90 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 90, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  37 CYX  H      40 HIE  HB2     4.19             (#peak    95 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 95, nxpk= 0, iat= 416, 448, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   3 VAL  H       3 VAL  QG2     3.87             (#peak    96 #SUP  1.00)
 &rst
  ixpk= 96, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=  40,  41,  42,
 &end
#
#   2 ILE  QG2     3 VAL  H       3.47             (#peak    97 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 97, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=  17,  18,  19,
 &end
#
#   2 ILE  QD1     3 VAL  H       5.10             (#peak    98 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 98, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  24,  25,  26,
 &end
#
#   3 VAL  HB      4 GLU  H       4.10             (#peak   100 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 100, nxpk= 0, iat=  34,  46, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   4 GLU  H       4 GLU  HG3     5.00             (#peak   103 #SUP  0.96  #QF  0.83)
 &rst
  ixpk= 103, nxpk= 0, iat=  46,  54, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   4 GLU  H       4 GLU  HG2     5.00             (#peak   104 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 104, nxpk= 0, iat=  46,  53, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 VAL  QG1     4 GLU  H       4.51             (#peak   105 #SUP  1.00)
 &rst
  ixpk= 105, nxpk= 0, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  36,  37,  38,
 &end
#
#   3 VAL  QG2     4 GLU  H       4.51             (#peak   106 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 106, nxpk= 0, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  40,  41,  42,
 &end
#
#  54 HIE  HE1    57 THR  HA      4.22             (#peak   111 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 111, nxpk= 0, iat= 668, 719, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  46 TYR  QB     47 LEU  H       3.72             (#peak   112 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 112, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 544, 545,
 &end
#
#  46 TYR  H      46 TYR  QB      2.92             (#peak   114 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 114, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 544, 545,
 &end
#
#  46 TYR  HA     46 TYR  QD      2.90             (#peak   115 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 115, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 548, 557,
 &end
#
#  45 LEU  H      45 LEU  HB3     3.58             (#peak   121 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 121, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  44 ALA  QB     45 LEU  H       3.09             (#peak   122 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 122, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1= 515, 516, 517,
 &end
#
#  45 LEU  H      45 LEU  QD2     4.36             (#peak   123 #SUP  0.92  #QF  0.82)
 &rst
  ixpk= 123, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 534, 535, 536,
 &end
#
#  47 LEU  H      47 LEU  HB3     3.74             (#peak   124 #SUP  1.00)
 &rst
  ixpk= 124, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  47 LEU  H      47 LEU  HB2     3.74             (#peak   125 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 125, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  47 LEU  H      47 LEU  HG      4.42             (#peak   126 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 126, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  47 LEU  HB3    48 VAL  H       3.81             (#peak   127 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 127, nxpk= 0, iat= 566, 580, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  47 LEU  HG     48 VAL  H       5.50             (#peak   128 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 128, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  47 LEU  HB2    48 VAL  H       3.81             (#peak   129 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 129, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  43 GLU  H      43 GLU  QB      2.86             (#peak   130 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 130, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 500, 501,
 &end
#
#  43 GLU  QB     44 ALA  H       3.66             (#peak   131 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 131, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 500, 501,
 &end
#
#  43 GLU  H      43 GLU  HG2     3.80             (#peak   134 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 134, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  43 GLU  H      43 GLU  HG3     3.80             (#peak   135 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 135, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  43 GLU  HG2    44 ALA  H       4.70             (#peak   136 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 136, nxpk= 0, iat= 503, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  43 GLU  HG3    44 ALA  H       4.70             (#peak   137 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 137, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  60 THR  H      60 THR  QG2     4.26             (#peak   138 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 138, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 773, 774, 775,
 &end
#
#  59 LYS  HB3    60 THR  H       4.64             (#peak   139 #SUP  1.00)
 &rst
  ixpk= 139, nxpk= 0, iat= 750, 767, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  59 LYS  HB2    60 THR  H       4.64             (#peak   140 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 140, nxpk= 0, iat= 749, 767, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  59 LYS  HA     60 THR  H       2.78             (#peak   142 #SUP  0.44  #QF  0.44)
 &rst
  ixpk= 142, nxpk= 0, iat= 747, 767, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  60 THR  H      60 THR  HB      4.03             (#peak   144 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 144, nxpk= 0, iat= 767, 771, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  12 SER  HB3    14 TYR  H       4.11             (#peak   147 #SUP  0.70  #QF  0.57)
 &rst
  ixpk= 147, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  54 HIE  HE1    57 THR  QG2     4.23             (#peak   149 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 149, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 723, 724, 725,
 &end
#
#  57 THR  H      57 THR  QG2     4.40             (#peak   150 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 150, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 723, 724, 725,
 &end
#
#  56 TYR  H      56 TYR  HB3     3.46             (#peak   151 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 151, nxpk= 0, iat= 696, 701, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  56 TYR  H      56 TYR  HB2     3.46             (#peak   152 #SUP  0.94  #QF  0.23)
 &rst
  ixpk= 152, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  55 PHE  H      55 PHE  HB3     4.14             (#peak   154 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 154, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  54 HIE  HB2    55 PHE  H       3.92             (#peak   156 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 156, nxpk= 0, iat= 663, 676, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  54 HIE  HB3    55 PHE  H       3.96             (#peak   157 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 157, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  55 PHE  H      55 PHE  HB2     4.14             (#peak   158 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 158, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  42 VAL  HA     54 HIE  HE1     4.01             (#peak   159 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 159, nxpk= 0, iat= 482, 668, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  21 ASN  H      54 HIE  HA      3.48             (#peak   160 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 160, nxpk= 0, iat= 299, 661, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   9 SER  HB3    10 ILE  H       4.34             (#peak   167 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 167, nxpk= 0, iat= 117, 123, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  10 ILE  H      10 ILE  QG2     3.87             (#peak   168 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 168, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 129, 130, 131,
 &end
#
#  10 ILE  H      10 ILE  QD1     3.80             (#peak   169 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 169, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 136, 137, 138,
 &end
#
#   9 SER  HA     10 ILE  H       3.39             (#peak   171 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 171, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   9 SER  HB2    10 ILE  H       4.34             (#peak   172 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 172, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   9 SER  HA     35 HIE  HE1     3.24             (#peak   173 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 173, nxpk= 0, iat= 114, 389, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  10 ILE  H      10 ILE  HB      3.34             (#peak   174 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 174, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  13 LEU  QB     14 TYR  H       3.55             (#peak   175 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 175, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 167, 168,
 &end
#
#  13 LEU  HG     14 TYR  H       4.60             (#peak   176 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 176, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  14 TYR  H      14 TYR  QB      2.96             (#peak   177 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 177, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 186, 187,
 &end
#
#  14 TYR  QB     15 GLN  H       3.61             (#peak   181 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 181, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 186, 187,
 &end
#
#  49 CYX  H      50 GLY  H       3.34             (#peak   184 #SUP  1.00)
 &rst
  ixpk= 184, nxpk= 0, iat= 596, 606, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  46 TYR  H      47 LEU  H       3.42             (#peak   185 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 185, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  43 GLU  H      44 ALA  H       3.23             (#peak   188 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 188, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  44 ALA  H      45 LEU  H       3.15             (#peak   189 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 189, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  16 LEU  H      17 GLU  H       3.40             (#peak   192 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 192, nxpk= 0, iat= 220, 239, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  15 GLN  H      16 LEU  H       3.28             (#peak   195 #SUP  1.00)
 &rst
  ixpk= 195, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  14 TYR  H      15 GLN  H       3.72             (#peak   197 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 197, nxpk= 0, iat= 182, 203, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  46 TYR  H      48 VAL  H       4.49             (#peak   198 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 198, nxpk= 0, iat= 540, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  46 TYR  H      46 TYR  QD      4.14             (#peak   199 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 199, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 548, 557,
 &end
#
#  17 GLU  H      18 ASN  H       3.71             (#peak   201 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 201, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  19 TYR  H      20 CYX  H       2.95             (#peak   203 #SUP  1.00)
 &rst
  ixpk= 203, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  19 TYR  H      19 TYR  QD      3.10             (#peak   204 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 204, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 276, 285,
 &end
#
#  42 VAL  H      43 GLU  H       3.51             (#peak   204 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 204, nxpk= 0, iat= 480, 496, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  18 ASN  H      19 TYR  H       3.29             (#peak   207 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 207, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  17 GLU  H      19 TYR  H       4.63             (#peak   209 #SUP  0.90  #QF  0.84)
 &rst
  ixpk= 209, nxpk= 0, iat= 239, 268, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  43 GLU  H      45 LEU  H       5.10             (#peak   209 #SUP  0.90  #QF  0.84)
 &rst
  ixpk= 209, nxpk= 0, iat= 496, 521, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  43 GLU  HA     46 TYR  H       3.74             (#peak   210 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 210, nxpk= 0, iat= 498, 540, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  40 HIE  HB3    40 HIE  HE1     5.16             (#peak   212 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 212, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  54 HIE  HB3    54 HIE  HD2     3.55             (#peak   213 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 213, nxpk= 0, iat= 664, 672, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  54 HIE  HA     54 HIE  HD2     4.67             (#peak   216 #SUP  1.00)
 &rst
  ixpk= 216, nxpk= 0, iat= 661, 672, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  20 CYX  HA     54 HIE  HD2     5.50             (#peak   217 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 217, nxpk= 0, iat= 291, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 HIE  HB3    40 HIE  HD2     3.91             (#peak   219 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 219, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  40 HIE  HA     40 HIE  HD2     3.28             (#peak   220 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 220, nxpk= 0, iat= 446, 457, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#   3 VAL  H       4 GLU  H       4.87             (#peak   231 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 231, nxpk= 0, iat=  30,  46, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  21 ASN  H      55 PHE  H       4.95             (#peak   233 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 233, nxpk= 0, iat= 299, 676, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  20 CYX  HA     55 PHE  H       5.19             (#peak   234 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 234, nxpk= 0, iat= 291, 676, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  10 ILE  QD1    35 HIE  HE1     4.05             (#peak   236 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 236, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  QD1    35 HIE  HD2     3.76             (#peak   241 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 241, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 136, 137, 138,
 &end
#
#  42 VAL  H      42 VAL  HB      3.42             (#peak   244 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 244, nxpk= 0, iat= 480, 484, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  42 VAL  HB     43 GLU  H       3.26             (#peak   245 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 245, nxpk= 0, iat= 484, 496, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  42 VAL  QQG    43 GLU  H       3.41             (#peak   246 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 246, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  42 VAL  H      42 VAL  QQG     3.14             (#peak   247 #SUP  1.00)
 &rst
  ixpk= 247, nxpk= 0, iat= 480, 483, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  41 LEU  HB3    42 VAL  H       4.34             (#peak   248 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 248, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  41 LEU  HB2    42 VAL  H       4.34             (#peak   249 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 249, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  16 LEU  H      16 LEU  HB3     3.66             (#peak   250 #SUP  1.00)
 &rst
  ixpk= 250, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  16 LEU  H      16 LEU  QD1     3.92             (#peak   251 #SUP  1.00)
 &rst
  ixpk= 251, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 229, 230, 231,
 &end
#
#  16 LEU  H      16 LEU  HB2     3.43             (#peak   252 #SUP  1.00)
 &rst
  ixpk= 252, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  17 GLU  HB3    18 ASN  H       3.95             (#peak   253 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 253, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  17 GLU  HB2    18 ASN  H       3.95             (#peak   254 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 254, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  51 GLU  QG     52 ARG  H       4.37             (#peak   258 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 258, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 620, 621,
 &end
#
#  31 PHE  QE     47 LEU  HB2     4.51             (#peak   259 #SUP  0.99  #QF  0.92)
 &rst
  ixpk= 259, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 323, 327,
 &end
#
#  32 VAL  HB     34 GLN  HE21    5.43             (#peak   260 #SUP  0.91  #QF  0.24)
 &rst
  ixpk= 260, nxpk= 0, iat= 337, 375, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  36 LEU  QD2    37 CYX  H       5.09             (#peak   261 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 261, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 410, 411, 412,
 &end
#
#  36 LEU  QD1    37 CYX  H       5.09             (#peak   262 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 262, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 406, 407, 408,
 &end
#
#  36 LEU  QD2    44 ALA  H       5.33             (#peak   263 #SUP  0.87  #QF  0.29)
 &rst
  ixpk= 263, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 410, 411, 412,
 &end
#
#  44 ALA  H      45 LEU  HB2     5.50             (#peak   263 #SUP  0.87  #QF  0.29)
 &rst
  ixpk= 263, nxpk= 0, iat= 511, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  41 LEU  H      41 LEU  QD1     4.85             (#peak   264 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 264, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 470, 471, 472,
 &end
#
#  41 LEU  H      41 LEU  QD2     4.85             (#peak   265 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 265, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 474, 475, 476,
 &end
#
#  45 LEU  QD1    56 TYR  H       5.50             (#peak   266 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 266, nxpk= 0, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 530, 531, 532,
 &end
#
#  45 LEU  QD1    54 HIE  HD2     4.72             (#peak   268 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 268, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531, 532,
 &end
#
#  19 TYR  QE     45 LEU  QD1     5.50             (#peak   272 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 272, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 283,
 igr2= 530, 531, 532,
 &end
#
#  45 LEU  QD2    54 HIE  HD2     4.72             (#peak   273 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 273, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535, 536,
 &end
#
#  45 LEU  H      45 LEU  QD1     4.36             (#peak   274 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 274, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 530, 531, 532,
 &end
#
#  16 LEU  H      16 LEU  HG      3.11             (#peak   276 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 276, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  31 PHE  HA     31 PHE  QD      3.58             (#peak   281 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 281, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 321, 329,
 &end
#
#  56 TYR  HA     56 TYR  QE      4.72             (#peak   284 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 284, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 706, 711,
 &end
#
#  56 TYR  HA     56 TYR  QD      3.04             (#peak   285 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 285, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 704, 713,
 &end
#
#  36 LEU  H      36 LEU  HG      4.99             (#peak   286 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 286, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  16 LEU  QD1    49 CYX  H       5.50             (#peak   290 #SUP  0.34  #QF  0.34)
 &rst
  ixpk= 290, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 229, 230, 231,
 &end
#
#  45 LEU  HA     49 CYX  H       3.91             (#peak   291 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 291, nxpk= 0, iat= 523, 596, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  47 LEU  HA     49 CYX  H       5.06             (#peak   293 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 293, nxpk= 0, iat= 563, 596, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  46 TYR  HA     49 CYX  H       4.25             (#peak   295 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 295, nxpk= 0, iat= 542, 596, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  47 LEU  H      49 CYX  H       4.84             (#peak   296 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 296, nxpk= 0, iat= 561, 596, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  48 VAL  H      50 GLY  H       4.73             (#peak   298 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 298, nxpk= 0, iat= 580, 606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  55 PHE  H      55 PHE  QD      3.99             (#peak   299 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 299, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 684, 692,
 &end
#
#  17 GLU  H      19 TYR  QD      4.90             (#peak   300 #SUP  0.96  #QF  0.71)
 &rst
  ixpk= 300, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 276, 285,
 &end
#
#  21 ASN  H      55 PHE  QD      5.19             (#peak   300 #SUP  0.96  #QF  0.71)
 &rst
  ixpk= 300, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 684, 692,
 &end
#
#  46 TYR  QE     52 ARG  H       5.11             (#peak   301 #SUP  0.35  #QF  0.35)
 &rst
  ixpk= 301, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 550, 555,
 &end
#
#  21 ASN  H      21 ASN  HD21    4.59             (#peak   303 #SUP  0.92  #QF  0.82)
 &rst
  ixpk= 303, nxpk= 0, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  52 ARG  H      53 GLY  H       4.86             (#peak   303 #SUP  0.92  #QF  0.82)
 &rst
  ixpk= 303, nxpk= 0, iat= 628, 652, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  53 GLY  H      54 HIE  H       4.68             (#peak   305 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 305, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  41 LEU  H      43 GLU  H       4.74             (#peak   306 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 306, nxpk= 0, iat= 461, 496, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  16 LEU  H      19 TYR  QD      4.80             (#peak   308 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 308, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 276, 285,
 &end
#
#  40 HIE  H      41 LEU  H       5.16             (#peak   309 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 309, nxpk= 0, iat= 444, 461, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  16 LEU  H      18 ASN  H       4.71             (#peak   310 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 310, nxpk= 0, iat= 220, 254, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  14 TYR  H      16 LEU  H       4.99             (#peak   311 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 311, nxpk= 0, iat= 182, 220, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  43 GLU  H      54 HIE  HE1     5.50             (#peak   312 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 312, nxpk= 0, iat= 496, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 TYR  H      19 TYR  QE      4.37             (#peak   313 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 313, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 278, 283,
 &end
#
#  16 LEU  H      19 TYR  QE      5.19             (#peak   314 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 314, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 278, 283,
 &end
#
#  46 TYR  H      54 HIE  HD2     4.57             (#peak   315 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 315, nxpk= 0, iat= 540, 672, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  21 ASN  H      21 ASN  HD22    4.67             (#peak   316 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 316, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  54 HIE  H      54 HIE  HD2     4.89             (#peak   317 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 317, nxpk= 0, iat= 659, 672, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  31 PHE  QE     44 ALA  H       5.50             (#peak   320 #SUP  0.96  #QF  0.84)
 &rst
  ixpk= 320, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 323, 327,
 &end
#
#  46 TYR  QD     50 GLY  H       5.50             (#peak   320 #SUP  0.96  #QF  0.84)
 &rst
  ixpk= 320, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 548, 557,
 &end
#
#  42 VAL  H      44 ALA  H       4.66             (#peak   321 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 321, nxpk= 0, iat= 480, 511, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  14 TYR  H      14 TYR  QD      3.51             (#peak   322 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 322, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 190, 199,
 &end
#
#  46 TYR  QD     47 LEU  H       4.26             (#peak   323 #SUP  1.00  #QF  0.21)
 &rst
  ixpk= 323, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 548, 557,
 &end
#
#  55 PHE  QD     56 TYR  H       4.76             (#peak   324 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 324, nxpk= 0, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 684, 692,
 &end
#
#  54 HIE  HE1    56 TYR  QD      3.89             (#peak   325 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 325, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 704, 713,
 &end
#
#  14 TYR  H      14 TYR  QE      4.78             (#peak   326 #SUP  0.95  #QF  0.56)
 &rst
  ixpk= 326, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 192, 197,
 &end
#
#  56 TYR  QD     57 THR  H       4.94             (#peak   326 #SUP  0.95  #QF  0.56)
 &rst
  ixpk= 326, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 704, 713,
 &end
#
#  54 HIE  HE1    56 TYR  QE      5.43             (#peak   327 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 327, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 706, 711,
 &end
#
#  14 TYR  QD     15 GLN  H       4.11             (#peak   336 #SUP  1.00)
 &rst
  ixpk= 336, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 190, 199,
 &end
#
#  19 TYR  QD     20 CYX  H       4.85             (#peak   337 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 337, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 276, 285,
 &end
#
#  46 TYR  QD     54 HIE  HD2     4.27             (#peak   342 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 342, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 548, 557,
 &end
#
#  42 VAL  H      56 TYR  QE      4.30             (#peak   343 #SUP  0.61  #QF  0.61)
 &rst
  ixpk= 343, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 706, 711,
 &end
#
#  49 CYX  H      54 HIE  HD2     4.98             (#peak   351 #SUP  1.00)
 &rst
  ixpk= 351, nxpk= 0, iat= 596, 672, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  35 HIE  H      35 HIE  HD2     5.03             (#peak   353 #SUP  0.48  #QF  0.48)
 &rst
  ixpk= 353, nxpk= 0, iat= 380, 393, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  37 CYX  H      40 HIE  HD2     5.50             (#peak   354 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 354, nxpk= 0, iat= 416, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 SER  H      16 LEU  QD1     4.86             (#peak   355 #SUP  0.55  #QF  0.55)
 &rst
  ixpk= 355, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 229, 230, 231,
 &end
#
#   2 ILE  QD1    19 TYR  H       5.29             (#peak   357 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 357, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  24,  25,  26,
 &end
#
#   2 ILE  QD1    55 PHE  QE      5.36             (#peak   358 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 358, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=  24,  25,  26,
 igr2= 686, 690,
 &end
#
#   2 ILE  QD1    19 TYR  QD      3.58             (#peak   359 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 359, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  24,  25,  26,
 igr2= 276, 285,
 &end
#
#   2 ILE  QD1    56 TYR  QD      5.31             (#peak   360 #SUP  1.00  #QF  0.56)
 &rst
  ixpk= 360, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=  24,  25,  26,
 igr2= 704, 713,
 &end
#
#  41 LEU  QD2    56 TYR  QD      5.50             (#peak   360 #SUP  1.00  #QF  0.56)
 &rst
  ixpk= 360, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 474, 475, 476,
 igr2= 704, 713,
 &end
#
#   2 ILE  QD1    19 TYR  QE      3.79             (#peak   361 #SUP  1.00)
 &rst
  ixpk= 361, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=  24,  25,  26,
 igr2= 278, 283,
 &end
#
#  41 LEU  QD2    56 TYR  QE      4.54             (#peak   362 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 362, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 474, 475, 476,
 igr2= 706, 711,
 &end
#
#  45 LEU  QD2    56 TYR  H       5.50             (#peak   365 #SUP  0.75  #QF  0.40)
 &rst
  ixpk= 365, nxpk= 0, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
#   2 ILE  QG2    56 TYR  QD      4.27             (#peak   370 #SUP  0.83  #QF  0.34)
 &rst
  ixpk= 370, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=  17,  18,  19,
 igr2= 704, 713,
 &end
#
#  41 LEU  QD1    56 TYR  QD      5.50             (#peak   370 #SUP  0.83  #QF  0.34)
 &rst
  ixpk= 370, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 470, 471, 472,
 igr2= 704, 713,
 &end
#
#   2 ILE  QG2    56 TYR  QE      4.41             (#peak   371 #SUP  0.75  #QF  0.28)
 &rst
  ixpk= 371, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  17,  18,  19,
 igr2= 706, 711,
 &end
#
#  41 LEU  QD1    56 TYR  QE      4.54             (#peak   371 #SUP  0.75  #QF  0.28)
 &rst
  ixpk= 371, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 470, 471, 472,
 igr2= 706, 711,
 &end
#
#  19 TYR  QE     45 LEU  QD2     5.50             (#peak   372 #SUP  0.97  #QF  0.45)
 &rst
  ixpk= 372, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 283,
 igr2= 534, 535, 536,
 &end
#
#  16 LEU  QD1    48 VAL  H       4.89             (#peak   374 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 374, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 229, 230, 231,
 &end
#
#  42 VAL  QQG    46 TYR  H       4.01             (#peak   377 #SUP  0.24  #QF  0.24)
 &rst
  ixpk= 377, nxpk= 0, iat= 483, 540, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  17 GLU  H      48 VAL  QG1     3.90             (#peak   378 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 378, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 586, 587, 588,
 &end
#
#  45 LEU  H      45 LEU  HB2     3.50             (#peak   379 #SUP  0.96  #QF  0.95)
 &rst
  ixpk= 379, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  QD2    19 TYR  H       5.01             (#peak   380 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 380, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 233, 234, 235,
 &end
#
#  16 LEU  H      48 VAL  QG1     4.26             (#peak   381 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 381, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 586, 587, 588,
 &end
#
#  16 LEU  H      16 LEU  QD2     3.61             (#peak   382 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 382, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 233, 234, 235,
 &end
#
#  42 VAL  QQG    44 ALA  H       4.64             (#peak   384 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 384, nxpk= 0, iat= 483, 511, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,  &end
#
#  36 LEU  QD1    44 ALA  H       5.33             (#peak   385 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 385, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 406, 407, 408,
 &end
#
#  16 LEU  QD1    44 ALA  H       4.82             (#peak   386 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 386, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 229, 230, 231,
 &end
#
#  13 LEU  QD1    14 TYR  H       4.84             (#peak   387 #SUP  1.00)
 &rst
  ixpk= 387, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 172, 173, 174,
 &end
#
#  13 LEU  QD2    14 TYR  H       4.84             (#peak   388 #SUP  1.00)
 &rst
  ixpk= 388, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 176, 177, 178,
 &end
#
#  42 VAL  QQG    54 HIE  HE1     3.20             (#peak   389 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 389, nxpk= 0, iat= 483, 668, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  32 VAL  QQG    34 GLN  HE21    4.52             (#peak   391 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 391, nxpk= 0, iat= 336, 375, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,  &end
#
#  16 LEU  QD1    31 PHE  QE      3.17             (#peak   393 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 393, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 229, 230, 231,
 igr2= 323, 327,
 &end
#
#  16 LEU  QD2    31 PHE  QE      4.94             (#peak   394 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 394, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 233, 234, 235,
 igr2= 323, 327,
 &end
#
#  16 LEU  QD1    31 PHE  HZ      3.65             (#peak   395 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 395, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 229, 230, 231,
 &end
#
#  16 LEU  QD2    19 TYR  QD      3.43             (#peak   397 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 397, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 233, 234, 235,
 igr2= 276, 285,
 &end
#
#  31 PHE  HZ     48 VAL  QG2     3.65             (#peak   399 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 399, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 590, 591, 592,
 &end
#
#  31 PHE  HZ     48 VAL  QG1     5.07             (#peak   400 #SUP  0.90  #QF  0.60)
 &rst
  ixpk= 400, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 586, 587, 588,
 &end
#
#  31 PHE  QE     48 VAL  QG2     3.17             (#peak   401 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 401, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 323, 327,
 igr2= 590, 591, 592,
 &end
#
#  41 LEU  H      42 VAL  QQG     4.48             (#peak   405 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 405, nxpk= 0, iat= 461, 483, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,  &end
#
#  13 LEU  QD2    14 TYR  QE      4.33             (#peak   406 #SUP  0.93  #QF  0.89)
 &rst
  ixpk= 406, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 176, 177, 178,
 igr2= 192, 197,
 &end
#
#  32 VAL  QQG    33 ASN  HD21    4.86             (#peak   406 #SUP  0.93  #QF  0.89)
 &rst
  ixpk= 406, nxpk= 0, iat= 336, 358, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
#  42 VAL  QQG    56 TYR  QD      3.38             (#peak   408 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 408, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 704, 713,
 &end
#
#  16 LEU  QD2    19 TYR  QE      3.62             (#peak   412 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 412, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 233, 234, 235,
 igr2= 278, 283,
 &end
#
#  42 VAL  QQG    56 TYR  QE      3.23             (#peak   413 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 413, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 706, 711,
 &end
#
#   3 VAL  QG1    56 TYR  QE      4.32             (#peak   414 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 414, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=  36,  37,  38,
 igr2= 706, 711,
 &end
#
#   3 VAL  QG2    56 TYR  QE      4.32             (#peak   415 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 415, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=  40,  41,  42,
 igr2= 706, 711,
 &end
#
#  45 LEU  HB2    54 HIE  HD2     4.09             (#peak   416 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 416, nxpk= 0, iat= 525, 672, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  42 VAL  QQG    54 HIE  HD2     4.92             (#peak   417 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 417, nxpk= 0, iat= 483, 672, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,  &end
#
#  45 LEU  HB3    54 HIE  HD2     4.41             (#peak   418 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 418, nxpk= 0, iat= 526, 672, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  41 LEU  HB3    56 TYR  QE      4.29             (#peak   419 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 419, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 706, 711,
 &end
#
#   2 ILE  HB     19 TYR  QE      4.15             (#peak   420 #SUP  0.47  #QF  0.47)
 &rst
  ixpk= 420, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 278, 283,
 &end
#
#  56 TYR  QD     57 THR  QG2     5.20             (#peak   421 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 421, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 704, 713,
 igr2= 723, 724, 725,
 &end
#
#  43 GLU  H      44 ALA  QB      4.45             (#peak   424 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 424, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 515, 516, 517,
 &end
#
#  45 LEU  H      45 LEU  HG      3.18             (#peak   425 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 425, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  31 PHE  HZ     44 ALA  QB      4.26             (#peak   426 #SUP  1.00)
 &rst
  ixpk= 426, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 515, 516, 517,
 &end
#
#  31 PHE  QE     44 ALA  QB      3.71             (#peak   427 #SUP  1.00)
 &rst
  ixpk= 427, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 323, 327,
 igr2= 515, 516, 517,
 &end
#
#  31 PHE  QD     44 ALA  QB      3.81             (#peak   428 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 428, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 321, 329,
 igr2= 515, 516, 517,
 &end
#
#  16 LEU  HB2    19 TYR  QD      5.25             (#peak   429 #SUP  0.66  #QF  0.42)
 &rst
  ixpk= 429, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 276, 285,
 &end
#
#  19 TYR  QD     45 LEU  HG      5.50             (#peak   429 #SUP  0.66  #QF  0.42)
 &rst
  ixpk= 429, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 276, 285,
 &end
#
#  13 LEU  QB     14 TYR  QD      4.54             (#peak   430 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 430, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 167, 168,
 igr2= 190, 199,
 &end
#
#  13 LEU  QB     31 PHE  QE      4.70             (#peak   431 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 431, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 167, 168,
 igr2= 323, 327,
 &end
#
#  31 PHE  QE     47 LEU  HB3     4.51             (#peak   433 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 433, nxpk= 0, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 323, 327,
 &end
#
#  15 GLN  H      16 LEU  HG      4.64             (#peak   434 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 434, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  56 TYR  QE     58 PRO  QG      3.81             (#peak   435 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 435, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 706, 711,
 igr2= 735, 736,
 &end
#
#  41 LEU  HB2    56 TYR  QE      4.29             (#peak   436 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 436, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 706, 711,
 &end
#
#  52 ARG  H      52 ARG  QG      3.45             (#peak   437 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 437, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 635, 636,
 &end
#
#  36 LEU  HB2    37 CYX  H       4.94             (#peak   438 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 438, nxpk= 0, iat= 401, 416, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  16 LEU  HB3    19 TYR  H       5.30             (#peak   439 #SUP  0.95  #QF  0.81)
 &rst
  ixpk= 439, nxpk= 0, iat= 225, 268, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  15 GLN  HB2    16 LEU  H       4.38             (#peak   440 #SUP  1.00)
 &rst
  ixpk= 440, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  15 GLN  HB3    16 LEU  H       3.67             (#peak   441 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 441, nxpk= 0, iat= 208, 220, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  15 GLN  H      15 GLN  HG2     4.17             (#peak   442 #SUP  0.86  #QF  0.49)
 &rst
  ixpk= 442, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  15 GLN  H      15 GLN  HG3     4.17             (#peak   443 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 443, nxpk= 0, iat= 203, 211, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  15 GLN  H      15 GLN  HB2     3.51             (#peak   444 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 444, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  15 GLN  H      15 GLN  HB3     3.73             (#peak   445 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 445, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  43 GLU  QB     46 TYR  QD      4.60             (#peak   449 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 449, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 500, 501,
 igr2= 548, 557,
 &end
#
#  40 HIE  HD2    43 GLU  QB      4.99             (#peak   451 #SUP  0.43  #QF  0.43)
 &rst
  ixpk= 451, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 500, 501,
 &end
#
#  16 LEU  HB3    19 TYR  QD      4.60             (#peak   452 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 452, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 276, 285,
 &end
#
#  14 TYR  QD     15 GLN  HB3     4.91             (#peak   454 #SUP  1.00)
 &rst
  ixpk= 454, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 190, 199,
 &end
#
#  56 TYR  QD     58 PRO  QG      4.60             (#peak   458 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 458, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 704, 713,
 igr2= 735, 736,
 &end
#
#  15 GLN  HB3    19 TYR  QE      4.35             (#peak   459 #SUP  0.38  #QF  0.38)
 &rst
  ixpk= 459, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 278, 283,
 &end
#
#  14 TYR  QE     15 GLN  HB2     4.54             (#peak   463 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 463, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 192, 197,
 &end
#
#  56 TYR  QE     58 PRO  HB2     4.60             (#peak   465 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 465, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 706, 711,
 &end
#
#  56 TYR  QE     58 PRO  HB3     4.60             (#peak   466 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 466, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 706, 711,
 &end
#
#  18 ASN  HB2    19 TYR  QD      4.86             (#peak   471 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 471, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB3    19 TYR  QD      4.79             (#peak   472 #SUP  1.00)
 &rst
  ixpk= 472, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB3    20 CYX  H       5.35             (#peak   473 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 473, nxpk= 0, iat= 259, 289, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  19 TYR  HB2    55 PHE  QE      4.94             (#peak   475 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 475, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 686, 690,
 &end
#
#  56 TYR  QE     58 PRO  HD2     4.63             (#peak   478 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 478, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 706, 711,
 &end
#
#  56 TYR  QE     58 PRO  HD3     4.19             (#peak   479 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 479, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 706, 711,
 &end
#
#  42 VAL  HA     56 TYR  QE      4.22             (#peak   480 #SUP  1.00)
 &rst
  ixpk= 480, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 706, 711,
 &end
#
#  42 VAL  HA     54 HIE  HD2     5.46             (#peak   482 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 482, nxpk= 0, iat= 482, 672, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  49 CYX  HB3    54 HIE  HD2     3.96             (#peak   483 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 483, nxpk= 0, iat= 601, 672, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  19 TYR  HB3    20 CYX  H       4.66             (#peak   484 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 484, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  42 VAL  HA     44 ALA  H       4.61             (#peak   485 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 485, nxpk= 0, iat= 482, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  42 VAL  HA     56 TYR  QD      4.15             (#peak   486 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 486, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 704, 713,
 &end
#
#  45 LEU  HA     47 LEU  H       4.99             (#peak   487 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 487, nxpk= 0, iat= 523, 561, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  15 GLN  HA     17 GLU  H       4.62             (#peak   488 #SUP  0.91  #QF  0.51)
 &rst
  ixpk= 488, nxpk= 0, iat= 205, 239, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  41 LEU  HA     45 LEU  H       4.96             (#peak   488 #SUP  0.91  #QF  0.51)
 &rst
  ixpk= 488, nxpk= 0, iat= 463, 521, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  14 TYR  HA     17 GLU  H       4.39             (#peak   492 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 492, nxpk= 0, iat= 184, 239, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  44 ALA  HA     46 TYR  H       4.65             (#peak   493 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 493, nxpk= 0, iat= 513, 540, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  19 TYR  H      20 CYX  HA      4.70             (#peak   495 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 495, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  54 HIE  HA     55 PHE  QD      4.50             (#peak   496 #SUP  0.64  #QF  0.64)
 &rst
  ixpk= 496, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 684, 692,
 &end
#
#  12 SER  HA     31 PHE  QE      4.66             (#peak   498 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 498, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 323, 327,
 &end
#
#  55 PHE  QD     56 TYR  HA      3.77             (#peak   500 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 500, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 684, 692,
 &end
#
#  46 TYR  HA     54 HIE  HD2     3.46             (#peak   502 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 502, nxpk= 0, iat= 542, 672, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  56 TYR  QE     57 THR  HA      5.44             (#peak   503 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 503, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 706, 711,
 &end
#
#  56 TYR  QD     57 THR  HA      4.77             (#peak   504 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 504, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 704, 713,
 &end
#
#  35 HIE  HA     35 HIE  HD2     4.37             (#peak   505 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 505, nxpk= 0, iat= 382, 393, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  56 TYR  QE     58 PRO  HA      4.39             (#peak   507 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 507, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 706, 711,
 &end
#
#  16 LEU  HA     19 TYR  QE      3.31             (#peak   508 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 508, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 278, 283,
 &end
#
#  46 TYR  QE     47 LEU  HA      4.44             (#peak   510 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 510, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 550, 555,
 &end
#
#  46 TYR  QE     51 GLU  HA      4.38             (#peak   511 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 511, nxpk= 0, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 550, 555,
 &end
#
#  12 SER  HB2    14 TYR  QE      4.38             (#peak   512 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 512, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 192, 197,
 &end
#
#  12 SER  HB3    14 TYR  QE      4.38             (#peak   513 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 513, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 192, 197,
 &end
#
#   2 ILE  HA     19 TYR  QE      4.04             (#peak   514 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 514, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 278, 283,
 &end
#
#  45 LEU  HA     54 HIE  HD2     4.47             (#peak   515 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 515, nxpk= 0, iat= 523, 672, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  12 SER  HB2    14 TYR  H       4.11             (#peak   516 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 516, nxpk= 0, iat= 156, 182, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  40 HIE  HA     44 ALA  H       4.26             (#peak   517 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 517, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  46 TYR  HA     50 GLY  H       3.98             (#peak   518 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 518, nxpk= 0, iat= 542, 606, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  21 ASN  HA     21 ASN  HD21    4.59             (#peak   519 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 519, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  18 ASN  HA     20 CYX  H       3.79             (#peak   520 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 520, nxpk= 0, iat= 256, 289, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  19 TYR  HA     55 PHE  QE      3.37             (#peak   521 #SUP  0.28  #QF  0.28)
 &rst
  ixpk= 521, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 686, 690,
 &end
#
#  14 TYR  HA     18 ASN  H       5.50             (#peak   522 #SUP  0.95  #QF  0.80)
 &rst
  ixpk= 522, nxpk= 0, iat= 184, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 ASN  H      19 TYR  HA      5.50             (#peak   522 #SUP  0.95  #QF  0.80)
 &rst
  ixpk= 522, nxpk= 0, iat= 254, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 GLN  H      16 LEU  HA      5.22             (#peak   525 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 525, nxpk= 0, iat= 203, 222, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  17 GLU  HA     20 CYX  H       3.73             (#peak   526 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 526, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  16 LEU  HA     18 ASN  H       4.35             (#peak   527 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 527, nxpk= 0, iat= 222, 254, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  15 GLN  HA     18 ASN  H       4.21             (#peak   528 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 528, nxpk= 0, iat= 205, 254, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  46 TYR  QD     51 GLU  HA      4.97             (#peak   529 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 529, nxpk= 0, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 548, 557,
 &end
#
#  43 GLU  HA     46 TYR  QD      3.78             (#peak   530 #SUP  0.96  #QF  0.92)
 &rst
  ixpk= 530, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 548, 557,
 &end
#
#  46 TYR  QD     47 LEU  HA      4.10             (#peak   530 #SUP  0.96  #QF  0.92)
 &rst
  ixpk= 530, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 548, 557,
 &end
#
#  31 PHE  QE     44 ALA  HA      4.32             (#peak   531 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 531, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 323, 327,
 &end
#
#  16 LEU  HA     19 TYR  QD      2.79             (#peak   532 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 532, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2= 276, 285,
 &end
#
#  15 GLN  HA     18 ASN  HD22    4.62             (#peak   537 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 537, nxpk= 0, iat= 205, 264, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  31 PHE  HZ     44 ALA  HA      4.59             (#peak   538 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 538, nxpk= 0, iat= 325, 513, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  13 LEU  HA     16 LEU  H       3.56             (#peak   539 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 539, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  17 GLU  HA     19 TYR  H       3.76             (#peak   541 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 541, nxpk= 0, iat= 241, 268, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  14 TYR  HA     16 LEU  H       5.06             (#peak   542 #SUP  1.00)
 &rst
  ixpk= 542, nxpk= 0, iat= 184, 220, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  15 GLN  HA     18 ASN  HD21    4.62             (#peak   545 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 545, nxpk= 0, iat= 205, 263, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  13 LEU  QB     14 TYR  QE      5.50             (#peak   546 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 546, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 167, 168,
 igr2= 192, 197,
 &end
#
#  44 ALA  QB     48 VAL  H       4.93             (#peak   548 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 548, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 515, 516, 517,
 &end
#
#  13 LEU  QD1    14 TYR  QE      4.33             (#peak   549 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 549, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 172, 173, 174,
 igr2= 192, 197,
 &end
#
#  32 VAL  QQG    33 ASN  HD22    4.86             (#peak   553 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 553, nxpk= 0, iat= 336, 359, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
#  21 ASN  HA     21 ASN  HD22    5.21             (#peak   554 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 554, nxpk= 0, iat= 301, 309, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  31 PHE  QD     44 ALA  HA      4.61             (#peak   557 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 557, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 321, 329,
 &end
#
#   2 ILE  HA     19 TYR  QD      5.24             (#peak   558 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 558, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 276, 285,
 &end
#
#  21 ASN  HA     55 PHE  QE      4.58             (#peak   561 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 561, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 686, 690,
 &end
#
#  45 LEU  HA     48 VAL  H       3.98             (#peak   562 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 562, nxpk= 0, iat= 523, 580, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  10 ILE  QG2    10 ILE  QD1     2.69             (#peak   567 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 567, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 129, 130, 131,
 igr2= 136, 137, 138,
 &end
#
#  16 LEU  QD1    48 VAL  QG2     2.85             (#peak   568 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 568, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 229, 230, 231,
 igr2= 590, 591, 592,
 &end
#
#  42 VAL  QQG    45 LEU  HB2     4.05             (#peak   569 #SUP  0.97  #QF  0.83)
 &rst
  ixpk= 569, nxpk= 0, iat= 483, 525, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  16 LEU  QD2    48 VAL  QG2     4.40             (#peak   569 #SUP  0.97  #QF  0.83)
 &rst
  ixpk= 569, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 233, 234, 235,
 igr2= 590, 591, 592,
 &end
#
#   2 ILE  HB      2 ILE  QD1     3.17             (#peak   582 #SUP  0.93  #QF  0.81)
 &rst
  ixpk= 582, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=  24,  25,  26,
 &end
#
#  45 LEU  HB3    45 LEU  QD1     3.62             (#peak   584 #SUP  1.00)
 &rst
  ixpk= 584, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 530, 531, 532,
 &end
#
#  16 LEU  QD1    44 ALA  QB      2.79             (#peak   586 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 586, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 229, 230, 231,
 igr2= 515, 516, 517,
 &end
#
#  16 LEU  QD2    44 ALA  QB      3.46             (#peak   587 #SUP  0.90  #QF  0.85)
 &rst
  ixpk= 587, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 233, 234, 235,
 igr2= 515, 516, 517,
 &end
#
#  36 LEU  QD2    44 ALA  QB      3.87             (#peak   587 #SUP  0.90  #QF  0.85)
 &rst
  ixpk= 587, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 410, 411, 412,
 igr2= 515, 516, 517,
 &end
#
#  36 LEU  QD1    44 ALA  QB      3.87             (#peak   588 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 588, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 406, 407, 408,
 igr2= 515, 516, 517,
 &end
#
#  13 LEU  QB     13 LEU  QD1     2.85             (#peak   591 #SUP  1.00)
 &rst
  ixpk= 591, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 167, 168,
 igr2= 172, 173, 174,
 &end
#
#  13 LEU  QB     13 LEU  QD2     2.85             (#peak   592 #SUP  1.00)
 &rst
  ixpk= 592, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 167, 168,
 igr2= 176, 177, 178,
 &end
#
#  13 LEU  QB     48 VAL  QG2     3.64             (#peak   593 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 593, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 167, 168,
 igr2= 590, 591, 592,
 &end
#
#  44 ALA  QB     48 VAL  QG2     3.45             (#peak   594 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 515, 516, 517,
 igr2= 590, 591, 592,
 &end
#
#  16 LEU  QD2    45 LEU  HG      3.16             (#peak   595 #SUP  0.96  #QF  0.59)
 &rst
  ixpk= 595, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 233, 234, 235,
 &end
#
#  13 LEU  HG     48 VAL  QG2     5.43             (#peak   601 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 601, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 590, 591, 592,
 &end
#
#  10 ILE  HB     10 ILE  QD1     3.31             (#peak   605 #SUP  1.00)
 &rst
  ixpk= 605, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 136, 137, 138,
 &end
#
#  36 LEU  HG     44 ALA  QB      4.25             (#peak   609 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 609, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 515, 516, 517,
 &end
#
#  16 LEU  HB3    16 LEU  QD1     2.95             (#peak   633 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 633, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 229, 230, 231,
 &end
#
#  16 LEU  HB3    16 LEU  QD2     3.33             (#peak   634 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 634, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 233, 234, 235,
 &end
#
#  15 GLN  HB3    16 LEU  QD2     4.92             (#peak   638 #SUP  0.98  #QF  0.61)
 &rst
  ixpk= 638, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 233, 234, 235,
 &end
#
#  10 ILE  QD1    34 GLN  HB2     5.50             (#peak   643 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 643, nxpk= 0, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  QD1    34 GLN  HB3     5.50             (#peak   644 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 644, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 &end
#
#  48 VAL  HB     49 CYX  HB2     4.06             (#peak   655 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 655, nxpk= 0, iat= 584, 600, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  45 LEU  HA     45 LEU  QD1     4.02             (#peak   664 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 664, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 530, 531, 532,
 &end
#
#  19 TYR  HB3    45 LEU  QD1     4.59             (#peak   666 #SUP  0.79  #QF  0.62)
 &rst
  ixpk= 666, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 530, 531, 532,
 &end
#
#  45 LEU  QD1    54 HIE  HB3     4.86             (#peak   666 #SUP  0.79  #QF  0.62)
 &rst
  ixpk= 666, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 530, 531, 532,
 &end
#
#  41 LEU  QD1    42 VAL  HA      5.50             (#peak   670 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 670, nxpk= 0, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 470, 471, 472,
 &end
#
#  19 TYR  HB3    45 LEU  QD2     4.59             (#peak   671 #SUP  0.97  #QF  0.95)
 &rst
  ixpk= 671, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 534, 535, 536,
 &end
#
#  45 LEU  QD2    54 HIE  HB3     4.86             (#peak   671 #SUP  0.97  #QF  0.95)
 &rst
  ixpk= 671, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 534, 535, 536,
 &end
#
#  41 LEU  QD2    42 VAL  HA      5.50             (#peak   676 #SUP  0.65  #QF  0.43)
 &rst
  ixpk= 676, nxpk= 0, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 474, 475, 476,
 &end
#
#   2 ILE  QD1    19 TYR  HB3     4.39             (#peak   677 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 677, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=  24,  25,  26,
 &end
#
#   2 ILE  QD1    19 TYR  HB2     4.21             (#peak   678 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 678, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  24,  25,  26,
 &end
#
#  36 LEU  QD2    40 HIE  HB3     4.24             (#peak   679 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 679, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 410, 411, 412,
 &end
#
#  36 LEU  QD1    40 HIE  HB3     4.24             (#peak   684 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 684, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 406, 407, 408,
 &end
#
#  42 VAL  HA     42 VAL  QQG     2.76             (#peak   685 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 685, nxpk= 0, iat= 482, 483, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  42 VAL  HA     45 LEU  HB3     4.75             (#peak   686 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 686, nxpk= 0, iat= 482, 526, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  59 LYS  QG     59 LYS  QE      4.09             (#peak   688 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 688, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 752, 753,
 igr2= 758, 759,
 &end
#
#  42 VAL  HA     45 LEU  HG      4.85             (#peak   689 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 689, nxpk= 0, iat= 482, 528, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  43 GLU  QB     46 TYR  QB      4.51             (#peak   699 #SUP  0.55  #QF  0.55)
 &rst
  ixpk= 699, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 500, 501,
 igr2= 544, 545,
 &end
#
#  14 TYR  QB     15 GLN  HB2     5.27             (#peak   704 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 704, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 186, 187,
 &end
#
#  57 THR  QG2    58 PRO  HD2     3.87             (#peak   716 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 716, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 723, 724, 725,
 &end
#
#  42 VAL  QQG    58 PRO  HD2     4.43             (#peak   717 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 717, nxpk= 0, iat= 483, 732, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
#  57 THR  QG2    58 PRO  HD3     4.43             (#peak   718 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 718, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 723, 724, 725,
 &end
#
#  42 VAL  QQG    58 PRO  HD3     4.14             (#peak   719 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 719, nxpk= 0, iat= 483, 733, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  48 VAL  HA     48 VAL  QG2     2.67             (#peak   720 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 720, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 590, 591, 592,
 &end
#
#  48 VAL  HA     48 VAL  QG1     2.73             (#peak   721 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 721, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 586, 587, 588,
 &end
#
#   3 VAL  HA      3 VAL  QG2     3.33             (#peak   722 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 722, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=  40,  41,  42,
 &end
#
#   3 VAL  HA      3 VAL  QG1     3.33             (#peak   723 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 723, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=  36,  37,  38,
 &end
#
#  16 LEU  HB3    45 LEU  HA      3.47             (#peak   731 #SUP  0.94  #QF  0.31)
 &rst
  ixpk= 731, nxpk= 0, iat= 225, 523, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  45 LEU  HA     48 VAL  HB      3.78             (#peak   731 #SUP  0.94  #QF  0.31)
 &rst
  ixpk= 731, nxpk= 0, iat= 523, 584, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  15 GLN  HA     18 ASN  HB2     4.21             (#peak   735 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 735, nxpk= 0, iat= 205, 258, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  15 GLN  HA     18 ASN  HB3     5.30             (#peak   736 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 736, nxpk= 0, iat= 205, 259, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  15 GLN  HA     15 GLN  HG2     3.76             (#peak   737 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 737, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  15 GLN  HA     15 GLN  HG3     3.76             (#peak   738 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 738, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  14 TYR  QB     15 GLN  HA      4.51             (#peak   740 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 740, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 186, 187,
 &end
#
#  13 LEU  HA     13 LEU  HG      3.81             (#peak   741 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 741, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  13 LEU  HA     13 LEU  QB      2.92             (#peak   742 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 742, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 167, 168,
 &end
#
#  13 LEU  HA     16 LEU  HG      4.22             (#peak   743 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 743, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  13 LEU  HA     16 LEU  HB2     3.99             (#peak   744 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 744, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  45 LEU  HA     45 LEU  HG      3.59             (#peak   745 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 745, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  44 ALA  QB     45 LEU  HA      3.88             (#peak   746 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 746, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 515, 516, 517,
 &end
#
#  45 LEU  HA     48 VAL  QG2     3.45             (#peak   748 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 748, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 590, 591, 592,
 &end
#
#  45 LEU  HA     48 VAL  QG1     4.36             (#peak   749 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 749, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 586, 587, 588,
 &end
#
#  16 LEU  QD1    45 LEU  HA      3.50             (#peak   750 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 750, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 229, 230, 231,
 &end
#
#  45 LEU  HA     45 LEU  QD2     4.02             (#peak   751 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 751, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 534, 535, 536,
 &end
#
#  16 LEU  QD2    45 LEU  HA      3.64             (#peak   752 #SUP  0.96  #QF  0.32)
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 233, 234, 235,
 &end
#
#  13 LEU  HA     16 LEU  QD1     3.32             (#peak   753 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 753, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 229, 230, 231,
 &end
#
#  13 LEU  HA     48 VAL  QG1     2.92             (#peak   754 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 754, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 586, 587, 588,
 &end
#
#   2 ILE  HA      2 ILE  QG2     3.97             (#peak   755 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 755, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=  17,  18,  19,
 &end
#
#   2 ILE  HA      2 ILE  QD1     4.46             (#peak   757 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 757, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=  24,  25,  26,
 &end
#
#  13 LEU  HA     48 VAL  QG2     3.74             (#peak   758 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 758, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 590, 591, 592,
 &end
#
#  41 LEU  HA     42 VAL  QQG     5.43             (#peak   760 #SUP  0.91  #QF  0.83)
 &rst
  ixpk= 760, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,  &end
#
#  42 VAL  QQG    57 THR  HB      5.50             (#peak   760 #SUP  0.91  #QF  0.83)
 &rst
  ixpk= 760, nxpk= 0, iat= 483, 721, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  32 VAL  HA     32 VAL  QQG     2.79             (#peak   762 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 762, nxpk= 0, iat= 335, 336, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  41 LEU  HA     41 LEU  QD1     3.99             (#peak   764 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 764, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 470, 471, 472,
 &end
#
#  41 LEU  HA     41 LEU  QD2     3.99             (#peak   765 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 765, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 474, 475, 476,
 &end
#
#  41 LEU  HA     44 ALA  QB      3.14             (#peak   769 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 769, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 515, 516, 517,
 &end
#
#   8 THR  HA      8 THR  QG2     2.69             (#peak   772 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 772, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 104, 105, 106,
 &end
#
#  60 THR  HA     60 THR  QG2     3.53             (#peak   774 #SUP  1.00)
 &rst
  ixpk= 774, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 773, 774, 775,
 &end
#
#  17 GLU  HA     48 VAL  QG2     5.06             (#peak   776 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 776, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 590, 591, 592,
 &end
#
#  42 VAL  QQG    43 GLU  HA      3.48             (#peak   777 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 777, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  47 LEU  HA     47 LEU  QD1     3.83             (#peak   778 #SUP  1.00)
 &rst
  ixpk= 778, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 570, 571, 572,
 &end
#
#  47 LEU  HA     47 LEU  QD2     3.83             (#peak   780 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 780, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 574, 575, 576,
 &end
#
#  17 GLU  HA     48 VAL  QG1     2.89             (#peak   781 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 781, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 586, 587, 588,
 &end
#
#  16 LEU  HA     48 VAL  QG1     4.76             (#peak   782 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 782, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 586, 587, 588,
 &end
#
#  16 LEU  HA     16 LEU  QD1     3.96             (#peak   783 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 783, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 229, 230, 231,
 &end
#
#  16 LEU  HA     16 LEU  QD2     2.72             (#peak   784 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 784, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 233, 234, 235,
 &end
#
#  16 LEU  QD1    44 ALA  HA      4.41             (#peak   785 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 785, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 229, 230, 231,
 &end
#
#  10 ILE  HA     10 ILE  QG2     3.25             (#peak   787 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 787, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 129, 130, 131,
 &end
#
#   2 ILE  QD1    16 LEU  HA      4.58             (#peak   789 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 789, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  24,  25,  26,
 &end
#
#   9 SER  HA     10 ILE  QD1     4.71             (#peak   790 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 790, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 136, 137, 138,
 &end
#
#  10 ILE  QD1    33 ASN  HA      4.49             (#peak   791 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 791, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  QD1    34 GLN  HA      3.70             (#peak   792 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 792, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  QD1    35 HIE  HA      4.19             (#peak   793 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 793, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  HA     10 ILE  QD1     3.58             (#peak   794 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 794, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 136, 137, 138,
 &end
#
#  36 LEU  HA     36 LEU  QD1     4.07             (#peak   796 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 796, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 406, 407, 408,
 &end
#
#  12 SER  HA     16 LEU  QD1     4.50             (#peak   801 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 801, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 229, 230, 231,
 &end
#
#  32 VAL  QQG    33 ASN  HA      4.43             (#peak   802 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 802, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
#  36 LEU  HA     36 LEU  QD2     4.07             (#peak   803 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 803, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 410, 411, 412,
 &end
#
#  10 ILE  QG2    33 ASN  HA      3.24             (#peak   804 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 804, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QG2    35 HIE  HA      5.48             (#peak   805 #SUP  0.98  #QF  0.94)
 &rst
  ixpk= 805, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 129, 130, 131,
 &end
#
#  14 TYR  HA     48 VAL  QG1     4.61             (#peak   806 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 806, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 586, 587, 588,
 &end
#
#  10 ILE  QG2    34 GLN  HA      4.90             (#peak   808 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 808, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 129, 130, 131,
 &end
#
#  57 THR  HA     57 THR  QG2     2.86             (#peak   810 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 810, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 723, 724, 725,
 &end
#
#  42 VAL  QQG    57 THR  HA      4.22             (#peak   811 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 811, nxpk= 0, iat= 483, 719, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,  &end
#
#  59 LYS  HA     59 LYS  QG      4.14             (#peak   812 #SUP  0.43  #QF  0.43)
 &rst
  ixpk= 812, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 752, 753,
 &end
#
#  13 LEU  HG     14 TYR  HA      4.51             (#peak   813 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 813, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  13 LEU  QB     14 TYR  HA      4.35             (#peak   814 #SUP  1.00)
 &rst
  ixpk= 814, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 167, 168,
 &end
#
#   9 SER  HA     10 ILE  HB      5.25             (#peak   816 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 816, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  12 SER  HA     13 LEU  QB      4.86             (#peak   817 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 817, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 167, 168,
 &end
#
#  36 LEU  HA     36 LEU  HG      3.97             (#peak   819 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 819, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  59 LYS  HA     59 LYS  QD      4.25             (#peak   821 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 821, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 755, 756,
 &end
#
#  40 HIE  HA     43 GLU  QB      4.47             (#peak   826 #SUP  0.98  #QF  0.85)
 &rst
  ixpk= 826, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 500, 501,
 &end
#
#  18 ASN  HA     18 ASN  HB3     2.88             (#peak   830 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 830, nxpk= 0, iat= 256, 259, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#   4 GLU  HA      4 GLU  HG2     3.88             (#peak   831 #SUP  1.00)
 &rst
  ixpk= 831, nxpk= 0, iat=  48,  53, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  51 GLU  HA     51 GLU  QG      3.37             (#peak   832 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 832, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 620, 621,
 &end
#
#   4 GLU  HA      4 GLU  HG3     3.88             (#peak   833 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 833, nxpk= 0, iat=  48,  54, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  43 GLU  HA     43 GLU  HG3     3.98             (#peak   834 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 834, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  43 GLU  HA     43 GLU  HG2     3.98             (#peak   835 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 835, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  43 GLU  HA     43 GLU  QB      2.67             (#peak   840 #SUP  1.00)
 &rst
  ixpk= 840, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 500, 501,
 &end
#
#  40 HIE  HA     43 GLU  HG3     4.75             (#peak   846 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 846, nxpk= 0, iat= 446, 504, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  57 THR  HA     58 PRO  HD2     2.81             (#peak   848 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 848, nxpk= 0, iat= 719, 732, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#  57 THR  HA     58 PRO  HD3     2.86             (#peak   849 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 849, nxpk= 0, iat= 719, 733, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  57 THR  HB     58 PRO  HD2     4.34             (#peak   852 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 852, nxpk= 0, iat= 721, 732, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  57 THR  HB     58 PRO  HD3     5.14             (#peak   853 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 853, nxpk= 0, iat= 721, 733, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  20 CYX  HA     54 HIE  HB3     3.72             (#peak   864 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 864, nxpk= 0, iat= 291, 664, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  20 CYX  HA     54 HIE  HB2     4.47             (#peak   865 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 865, nxpk= 0, iat= 291, 663, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  36 LEU  HA     40 HIE  HB3     4.17             (#peak   877 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 877, nxpk= 0, iat= 399, 449, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  36 LEU  HA     40 HIE  HB2     4.12             (#peak   882 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 882, nxpk= 0, iat= 399, 448, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  14 TYR  HA     14 TYR  QB      2.55             (#peak   888 #SUP  1.00)
 &rst
  ixpk= 888, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
 igr2= 186, 187,
 &end
#
#  17 GLU  HA     20 CYX  HB3     4.32             (#peak   889 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 889, nxpk= 0, iat= 241, 294, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  16 LEU  HA     19 TYR  HB2     4.35             (#peak   890 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 890, nxpk= 0, iat= 222, 272, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  43 GLU  HA     46 TYR  QB      3.31             (#peak   891 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 891, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 544, 545,
 &end
#
#  52 ARG  HA     52 ARG  HD2     4.76             (#peak   892 #SUP  0.69  #QF  0.36)
 &rst
  ixpk= 892, nxpk= 0, iat= 630, 638, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  17 GLU  HA     20 CYX  HB2     4.32             (#peak   893 #SUP  0.86  #QF  0.46)
 &rst
  ixpk= 893, nxpk= 0, iat= 241, 293, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  52 ARG  HA     52 ARG  HD3     4.76             (#peak   893 #SUP  0.86  #QF  0.46)
 &rst
  ixpk= 893, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  42 VAL  HA     43 GLU  HA      5.50             (#peak   894 #SUP  0.92  #QF  0.51)
 &rst
  ixpk= 894, nxpk= 0, iat= 482, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 LEU  HA     46 TYR  HA      5.50             (#peak   899 #SUP  0.71  #QF  0.27)
 &rst
  ixpk= 899, nxpk= 0, iat= 523, 542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 CYX  HA     49 CYX  HB3     4.48             (#peak   906 #SUP  0.51  #QF  0.51)
 &rst
  ixpk= 906, nxpk= 0, iat= 291, 601, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   3 VAL  HA      7 CYX  H       4.81             (#peak   908 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 908, nxpk= 0, iat=  32,  88, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  47 LEU  H      48 VAL  HA      5.50             (#peak   909 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 909, nxpk= 0, iat= 561, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 HIE  HE1    58 PRO  HD2     5.24             (#peak   910 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 910, nxpk= 0, iat= 668, 732, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  54 HIE  HE1    58 PRO  HD3     5.00             (#peak   911 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 911, nxpk= 0, iat= 668, 733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ILE  HA     35 HIE  HE1     5.41             (#peak   912 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 912, nxpk= 0, iat= 125, 389, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  32 VAL  HA     33 ASN  HA      4.92             (#peak   918 #SUP  0.89  #QF  0.75)
 &rst
  ixpk= 918, nxpk= 0, iat= 335, 351, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  36 LEU  HA     41 LEU  HA      5.39             (#peak   918 #SUP  0.89  #QF  0.75)
 &rst
  ixpk= 918, nxpk= 0, iat= 399, 463, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  10 ILE  HA     35 HIE  HA      4.88             (#peak   920 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 920, nxpk= 0, iat= 125, 382, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  12 SER  HA     13 LEU  HA      4.87             (#peak   921 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 921, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  17 GLU  HA     18 ASN  HA      5.28             (#peak   922 #SUP  0.96  #QF  0.95)
 &rst
  ixpk= 922, nxpk= 0, iat= 241, 256, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  10 ILE  HA     34 GLN  HA      5.50             (#peak   922 #SUP  0.96  #QF  0.95)
 &rst
  ixpk= 922, nxpk= 0, iat= 125, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 ASN  HA     19 TYR  HA      5.00             (#peak   923 #SUP  0.96  #QF  0.90)
 &rst
  ixpk= 923, nxpk= 0, iat= 256, 270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 GLN  HA     35 HIE  HA      5.29             (#peak   923 #SUP  0.96  #QF  0.90)
 &rst
  ixpk= 923, nxpk= 0, iat= 365, 382, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  12 SER  HA     15 GLN  H       5.17             (#peak   925 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 925, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  46 TYR  H      49 CYX  H       4.97             (#peak   927 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 927, nxpk= 0, iat= 540, 596, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  12 SER  HB2    13 LEU  QB      5.50             (#peak   928 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 928, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 167, 168,
 &end
#
#  59 LYS  QG     60 THR  HA      5.50             (#peak   928 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 928, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 752, 753,
 &end
#
#  12 SER  HA     13 LEU  HG      5.16             (#peak   929 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 929, nxpk= 0, iat= 154, 170, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  32 VAL  HB     33 ASN  HA      5.34             (#peak   932 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 932, nxpk= 0, iat= 337, 351, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  34 GLN  HA     35 HIE  HD2     4.93             (#peak   933 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 933, nxpk= 0, iat= 365, 393, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  41 LEU  HA     56 TYR  QE      5.14             (#peak   937 #SUP  0.39  #QF  0.39)
 &rst
  ixpk= 937, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 706, 711,
 &end
#
#  21 ASN  HA     55 PHE  QD      3.47             (#peak   938 #SUP  0.52  #QF  0.52)
 &rst
  ixpk= 938, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 684, 692,
 &end
#
#  41 LEU  HA     43 GLU  H       5.21             (#peak   939 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 939, nxpk= 0, iat= 463, 496, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  40 HIE  HB3    41 LEU  HA      4.98             (#peak   940 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 940, nxpk= 0, iat= 449, 463, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  14 TYR  QD     15 GLN  HA      4.05             (#peak   946 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 946, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 190, 199,
 &end
#
#  13 LEU  HA     14 TYR  HA      5.01             (#peak   947 #SUP  1.00)
 &rst
  ixpk= 947, nxpk= 0, iat= 165, 184, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  49 CYX  HB2    54 HIE  HD2     4.07             (#peak   949 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 949, nxpk= 0, iat= 600, 672, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  54 HIE  HD2    57 THR  QG2     5.50             (#peak   950 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 950, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 723, 724, 725,
 &end
#
#  45 LEU  HG     54 HIE  HD2     5.50             (#peak   951 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 951, nxpk= 0, iat= 528, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 TYR  QB     16 LEU  H       5.50             (#peak   953 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 953, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 186, 187,
 &end
#
#  21 ASN  H      54 HIE  HB2     5.01             (#peak   954 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 954, nxpk= 0, iat= 299, 663, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  56 TYR  QD     58 PRO  HD3     4.73             (#peak   955 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 955, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 704, 713,
 &end
#
#  31 PHE  HB2    44 ALA  QB      5.10             (#peak   956 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 956, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 515, 516, 517,
 &end
#
#  31 PHE  HB3    44 ALA  QB      5.10             (#peak   957 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 957, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 515, 516, 517,
 &end
#
#  40 HIE  HB3    44 ALA  QB      4.64             (#peak   958 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 958, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 515, 516, 517,
 &end
#
#  42 VAL  HA     44 ALA  QB      4.99             (#peak   959 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 959, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 515, 516, 517,
 &end
#
#  42 VAL  HA     45 LEU  HB2     4.15             (#peak   961 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 961, nxpk= 0, iat= 482, 525, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  44 ALA  HA     48 VAL  H       4.60             (#peak   962 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 962, nxpk= 0, iat= 513, 580, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  44 ALA  HA     47 LEU  H       4.19             (#peak   963 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 963, nxpk= 0, iat= 513, 561, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  42 VAL  HA     45 LEU  HA      5.50             (#peak   965 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 965, nxpk= 0, iat= 482, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 ALA  H      46 TYR  QB      5.14             (#peak   966 #SUP  0.95  #QF  0.91)
 &rst
  ixpk= 966, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 544, 545,
 &end
#
#  46 TYR  QB     50 GLY  H       5.50             (#peak   966 #SUP  0.95  #QF  0.91)
 &rst
  ixpk= 966, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 544, 545,
 &end
#
#  46 TYR  QB     48 VAL  H       5.14             (#peak   967 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 967, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 544, 545,
 &end
#
#  40 HIE  H      40 HIE  HD2     4.99             (#peak   968 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 968, nxpk= 0, iat= 444, 457, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  18 ASN  HB3    19 TYR  HA      5.01             (#peak   973 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 973, nxpk= 0, iat= 259, 270, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  18 ASN  HB2    19 TYR  HA      5.16             (#peak   974 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 974, nxpk= 0, iat= 258, 270, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  15 GLN  H      17 GLU  H       4.49             (#peak   976 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 976, nxpk= 0, iat= 203, 239, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  20 CYX  H      21 ASN  H       4.63             (#peak   977 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 977, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  46 TYR  HA     49 CYX  HB2     4.42             (#peak   980 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 980, nxpk= 0, iat= 542, 600, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  46 TYR  HA     48 VAL  H       5.11             (#peak   981 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 981, nxpk= 0, iat= 542, 580, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  52 ARG  QG     53 GLY  H       5.10             (#peak   982 #SUP  0.99  #QF  0.36)
 &rst
  ixpk= 982, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 635, 636,
 &end
#
#   2 ILE  QD1    45 LEU  HG      4.43             (#peak   984 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 984, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=  24,  25,  26,
 &end
#
#  59 LYS  QG     60 THR  H       4.96             (#peak   986 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 986, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 752, 753,
 &end
#
#  13 LEU  QB     15 GLN  H       4.99             (#peak   989 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 989, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 167, 168,
 &end
#
#  15 GLN  H      16 LEU  HB2     5.16             (#peak   990 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 990, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  16 LEU  HB2    19 TYR  QE      5.50             (#peak   991 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 991, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 278, 283,
 &end
#
#  31 PHE  HZ     47 LEU  HB3     5.50             (#peak   992 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 992, nxpk= 0, iat= 325, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 PHE  HZ     47 LEU  HB2     5.50             (#peak   993 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 993, nxpk= 0, iat= 325, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 VAL  HB     34 GLN  HE22    5.43             (#peak   994 #SUP  0.94  #QF  0.25)
 &rst
  ixpk= 994, nxpk= 0, iat= 337, 376, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  42 VAL  HB     56 TYR  QE      5.50             (#peak   998 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 998, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 706, 711,
 &end
#
#   5 GLN  HA      9 SER  HB3     4.66             (#peak   999 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 999, nxpk= 0, iat=  63, 117, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  45 LEU  HB2    56 TYR  QE      5.50             (#peak  1006 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1006, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 706, 711,
 &end
#
#  18 ASN  H      19 TYR  HB2     5.43             (#peak  1008 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1008, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  14 TYR  QE     15 GLN  HB3     5.06             (#peak  1009 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1009, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 192, 197,
 &end
#
#  32 VAL  QQG    34 GLN  HE22    4.52             (#peak  1011 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 1011, nxpk= 0, iat= 336, 376, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,  &end
#
#  16 LEU  QD2    31 PHE  HZ      4.64             (#peak  1012 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1012, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 233, 234, 235,
 &end
#
#  15 GLN  H      16 LEU  QD2     5.50             (#peak  1013 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1013, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#  16 LEU  QD1    47 LEU  H       5.50             (#peak  1014 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1014, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 229, 230, 231,
 &end
#
#  45 LEU  HB2    54 HIE  HE1     4.97             (#peak  1015 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1015, nxpk= 0, iat= 525, 668, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  19 TYR  H      48 VAL  QG1     5.38             (#peak  1016 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1016, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 586, 587, 588,
 &end
#
#  36 LEU  HB3    37 CYX  H       4.94             (#peak  1018 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1018, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  20 CYX  H      48 VAL  QG1     5.48             (#peak  1020 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1020, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 586, 587, 588,
 &end
#
#  48 VAL  HB     50 GLY  H       5.39             (#peak  1021 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1021, nxpk= 0, iat= 584, 606, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  47 LEU  H      48 VAL  HB      5.00             (#peak  1022 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1022, nxpk= 0, iat= 561, 584, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 GLU  H      44 ALA  HA      5.42             (#peak  1023 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1023, nxpk= 0, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  16 LEU  H      17 GLU  HA      5.36             (#peak  1024 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1024, nxpk= 0, iat= 220, 241, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  43 GLU  QB     44 ALA  QB      4.80             (#peak  1025 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1025, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 500, 501,
 igr2= 515, 516, 517,
 &end
#
#  10 ILE  QD1    33 ASN  HB3     5.13             (#peak  1028 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1028, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 136, 137, 138,
 &end
#
#  45 LEU  HB3    45 LEU  QD2     3.62             (#peak  1029 #SUP  1.00)
 &rst
  ixpk= 1029, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 534, 535, 536,
 &end
#
#  10 ILE  QD1    33 ASN  HB2     5.13             (#peak  1030 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1030, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 136, 137, 138,
 &end
#
#  16 LEU  QD2    19 TYR  HB2     4.27             (#peak  1032 #SUP  0.40  #QF  0.40)
 &rst
  ixpk= 1032, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 233, 234, 235,
 &end
#
#  40 HIE  HA     43 GLU  HG2     4.75             (#peak  1043 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1043, nxpk= 0, iat= 446, 503, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   2 ILE  QG2     3 VAL  HA      4.74             (#peak  1045 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1045, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=  17,  18,  19,
 &end
#
#  45 LEU  HB2    56 TYR  QD      4.81             (#peak  1047 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 1047, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 704, 713,
 &end
#
#  41 LEU  H      42 VAL  HB      5.11             (#peak  1048 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1048, nxpk= 0, iat= 461, 484, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   5 GLN  HA      9 SER  HB2     4.66             (#peak  1050 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1050, nxpk= 0, iat=  63, 116, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  47 LEU  HA     48 VAL  HA      5.07             (#peak  1051 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1051, nxpk= 0, iat= 563, 582, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  47 LEU  HA     47 LEU  HG      3.75             (#peak  1052 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1052, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  16 LEU  HA     16 LEU  HG      3.52             (#peak  1055 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1055, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   2 ILE  QG2    19 TYR  QE      4.75             (#peak  1060 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1060, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=  17,  18,  19,
 igr2= 278, 283,
 &end
#
#   2 ILE  QD1    16 LEU  QD2     3.66             (#peak  1063 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1063, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  24,  25,  26,
 igr2= 233, 234, 235,
 &end
#
#  16 LEU  HB2    17 GLU  HA      5.02             (#peak  1064 #SUP  0.42  #QF  0.42)
 &rst
  ixpk= 1064, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  12 SER  HB3    13 LEU  QB      5.50             (#peak  1065 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1065, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 167, 168,
 &end
#
#  45 LEU  HA     49 CYX  HB2     4.92             (#peak  1066 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1066, nxpk= 0, iat= 523, 600, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  16 LEU  H      48 VAL  QG2     4.39             (#peak  1068 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1068, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 590, 591, 592,
 &end
#
#   2 ILE  HA      3 VAL  QQG     5.16             (#peak   759)
 &rst
  ixpk= 759, nxpk= 0, iat=  13,  33, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,  &end
#
#   2 ILE  QG2     3 VAL  QQG     3.06             (#peak   573)
 &rst
  ixpk= 573, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=  17,  18,  19,
 &end
#
#   2 ILE  QD1    45 LEU  QQD     3.52             (#peak   566)
 &rst
  ixpk= 566, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=  24,  25,  26,
 &end
#
#   3 VAL  H       3 VAL  QQG     2.95             (#peak    43)
 &rst
  ixpk= 43, nxpk= 0, iat=  30,  33, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   3 VAL  H      41 LEU  QQD     5.38             (#peak    98)
 &rst
  ixpk= 98, nxpk= 0, iat=  30, 467, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,  &end
#
#   3 VAL  HA      3 VAL  QQG     2.90             (#peak   722)
 &rst
  ixpk= 722, nxpk= 0, iat=  32,  33, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   3 VAL  HA     41 LEU  QQD     4.17             (#peak   724)
 &rst
  ixpk= 724, nxpk= 0, iat=  32, 467, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#   3 VAL  QQG     4 GLU  H       3.92             (#peak   106)
 &rst
  ixpk= 106, nxpk= 0, iat=  33,  46, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#   3 VAL  QQG     7 CYX  H       4.91             (#peak  1017)
 &rst
  ixpk= 1017, nxpk= 0, iat=  33,  88, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,  &end
#
#   3 VAL  QQG     7 CYX  HA      4.91             (#peak   799)
 &rst
  ixpk= 799, nxpk= 0, iat=  33,  90, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,  &end
#
#   3 VAL  QQG     7 CYX  QB      3.31             (#peak   683)
 &rst
  ixpk= 683, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=  92,  93,
 &end
#
#   3 VAL  QQG    56 TYR  QD      4.50             (#peak  1059)
 &rst
  ixpk= 1059, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 704, 713,
 &end
#
#   3 VAL  QQG    56 TYR  QE      3.47             (#peak   414)
 &rst
  ixpk= 414, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 706, 711,
 &end
#
#   3 VAL  QQG    58 PRO  QB      4.77             (#peak  1061)
 &rst
  ixpk= 1061, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 738, 739,
 &end
#
#   4 GLU  H       4 GLU  QG      4.38             (#peak   103)
 &rst
  ixpk= 103, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=  53,  54,
 &end
#
#   4 GLU  HA      4 GLU  QG      3.32             (#peak   833)
 &rst
  ixpk= 833, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=  53,  54,
 &end
#
#   6 CYX  H      41 LEU  QQD     5.44             (#peak   373)
 &rst
  ixpk= 373, nxpk= 0, iat=  78, 467, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#   6 CYX  HA     41 LEU  QQD     5.09             (#peak   798)
 &rst
  ixpk= 798, nxpk= 0, iat=  80, 467, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,  &end
#
#   6 CYX  QB      7 CYX  HA      4.34             (#peak   917)
 &rst
  ixpk= 917, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=  82,  83,
 &end
#
#   6 CYX  QB      7 CYX  QB      4.78             (#peak   964)
 &rst
  ixpk= 964, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=  82,  83,
 igr2=  92,  93,
 &end
#
#   6 CYX  QB     41 LEU  QQD     3.69             (#peak   674)
 &rst
  ixpk= 674, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=  82,  83,
 &end
#
#   7 CYX  HA     37 CYX  QB      4.74             (#peak   903)
 &rst
  ixpk= 903, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 420, 421,
 &end
#
#   7 CYX  QB      8 THR  HA      4.90             (#peak   894)
 &rst
  ixpk= 894, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  92,  93,
 &end
#
#   7 CYX  QB     37 CYX  HA      3.99             (#peak   860)
 &rst
  ixpk= 860, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  92,  93,
 &end
#
#   7 CYX  QB     41 LEU  QQD     5.00             (#peak   676)
 &rst
  ixpk= 676, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  92,  93,
 &end
#
#   8 THR  HB      9 SER  QB      5.04             (#peak   899)
 &rst
  ixpk= 899, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 116, 117,
 &end
#
#   9 SER  QB     10 ILE  H       3.60             (#peak   172)
 &rst
  ixpk= 172, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 116, 117,
 &end
#
#  10 ILE  H      10 ILE  QG1     3.72             (#peak   238)
 &rst
  ixpk= 238, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 133, 134,
 &end
#
#  10 ILE  QG2    33 ASN  QB      4.79             (#peak   663)
 &rst
  ixpk= 663, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 129, 130, 131,
 igr2= 353, 354,
 &end
#
#  10 ILE  QG2    33 ASN  QD2     5.20             (#peak  1046)
 &rst
  ixpk= 1046, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 129, 130, 131,
 igr2= 358, 359,
 &end
#
#  10 ILE  QG1    35 HIE  HD2     5.34             (#peak   242)
 &rst
  ixpk= 242, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 133, 134,
 &end
#
#  10 ILE  QG1    35 HIE  HE1     4.64             (#peak   240)
 &rst
  ixpk= 240, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 133, 134,
 &end
#
#  10 ILE  QD1    33 ASN  QB      4.51             (#peak  1028)
 &rst
  ixpk= 1028, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 136, 137, 138,
 igr2= 353, 354,
 &end
#
#  10 ILE  QD1    34 GLN  QB      4.76             (#peak   643)
 &rst
  ixpk= 643, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 136, 137, 138,
 igr2= 367, 368,
 &end
#
#  10 ILE  QD1    35 HIE  QB      4.93             (#peak  1035)
 &rst
  ixpk= 1035, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 136, 137, 138,
 igr2= 384, 385,
 &end
#
#  12 SER  QB     13 LEU  QB      4.69             (#peak  1065)
 &rst
  ixpk= 1065, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 156, 157,
 igr2= 167, 168,
 &end
#
#  12 SER  QB     14 TYR  QB      4.69             (#peak   913)
 &rst
  ixpk= 913, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 156, 157,
 igr2= 186, 187,
 &end
#
#  12 SER  QB     14 TYR  QD      3.91             (#peak   533)
 &rst
  ixpk= 533, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 156, 157,
 igr2= 190, 199,
 &end
#
#  12 SER  QB     14 TYR  QE      3.83             (#peak   513)
 &rst
  ixpk= 513, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 156, 157,
 igr2= 192, 197,
 &end
#
#  12 SER  QB     15 GLN  H       4.31             (#peak   523)
 &rst
  ixpk= 523, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 156, 157,
 &end
#
#  12 SER  QB     31 PHE  QE      5.34             (#peak   556)
 &rst
  ixpk= 556, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 156, 157,
 igr2= 323, 327,
 &end
#
#  13 LEU  H      13 LEU  QQD     4.76             (#peak    20)
 &rst
  ixpk= 20, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  13 LEU  QB     13 LEU  QQD     2.49             (#peak   592)
 &rst
  ixpk= 592, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 167, 168,
 &end
#
#  13 LEU  QQD    14 TYR  H       4.09             (#peak   388)
 &rst
  ixpk= 388, nxpk= 0, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  13 LEU  QQD    14 TYR  HA      4.36             (#peak   807)
 &rst
  ixpk= 807, nxpk= 0, iat= 169, 184, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,  &end
#
#  13 LEU  QQD    14 TYR  QD      4.46             (#peak   550)
 &rst
  ixpk= 550, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 190, 199,
 &end
#
#  13 LEU  QQD    15 GLN  H       4.74             (#peak   552)
 &rst
  ixpk= 552, nxpk= 0, iat= 169, 203, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,  &end
#
#  14 TYR  HA     17 GLU  QG      4.91             (#peak   841)
 &rst
  ixpk= 841, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 246, 247,
 &end
#
#  14 TYR  QB     15 GLN  QG      4.73             (#peak   702)
 &rst
  ixpk= 702, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 186, 187,
 igr2= 210, 211,
 &end
#
#  14 TYR  QB     17 GLU  QB      4.95             (#peak   705)
 &rst
  ixpk= 705, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 186, 187,
 igr2= 243, 244,
 &end
#
#  14 TYR  QD     15 GLN  QG      3.94             (#peak   468)
 &rst
  ixpk= 468, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 190, 199,
 igr2= 210, 211,
 &end
#
#  14 TYR  QE     15 GLN  QG      4.37             (#peak   464)
 &rst
  ixpk= 464, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 192, 197,
 igr2= 210, 211,
 &end
#
#  15 GLN  H      15 GLN  QG      3.57             (#peak   443)
 &rst
  ixpk= 443, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 210, 211,
 &end
#
#  15 GLN  HA     15 GLN  QG      3.06             (#peak   737)
 &rst
  ixpk= 737, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 210, 211,
 &end
#
#  15 GLN  HA     18 ASN  QD2     3.86             (#peak   537)
 &rst
  ixpk= 537, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 263, 264,
 &end
#
#  15 GLN  HB2    15 GLN  QE2     4.28             (#peak   456)
 &rst
  ixpk= 456, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 215, 216,
 &end
#
#  15 GLN  HB3    15 GLN  QE2     4.56             (#peak   457)
 &rst
  ixpk= 457, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 215, 216,
 &end
#
#  15 GLN  QG     15 GLN  QE2     3.20             (#peak   455)
 &rst
  ixpk= 455, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 210, 211,
 igr2= 215, 216,
 &end
#
#  16 LEU  HA     45 LEU  QQD     3.38             (#peak   788)
 &rst
  ixpk= 788, nxpk= 0, iat= 222, 527, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  16 LEU  HB3    45 LEU  QQD     3.35             (#peak   642)
 &rst
  ixpk= 642, nxpk= 0, iat= 225, 527, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  17 GLU  H      17 GLU  QG      4.91             (#peak   256)
 &rst
  ixpk= 256, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 246, 247,
 &end
#
#  17 GLU  HA     17 GLU  QG      3.19             (#peak   837)
 &rst
  ixpk= 837, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 246, 247,
 &end
#
#  17 GLU  HA     20 CYX  QB      3.80             (#peak   893)
 &rst
  ixpk= 893, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 293, 294,
 &end
#
#  17 GLU  QB     19 TYR  H       5.34             (#peak   439)
 &rst
  ixpk= 439, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 243, 244,
 &end
#
#  17 GLU  QG     20 CYX  HA      5.34             (#peak   944)
 &rst
  ixpk= 944, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 246, 247,
 &end
#
#  17 GLU  QG     20 CYX  QB      3.56             (#peak   697)
 &rst
  ixpk= 697, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 246, 247,
 igr2= 293, 294,
 &end
#
#  17 GLU  QG     48 VAL  QG1     3.55             (#peak   641)
 &rst
  ixpk= 641, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 246, 247,
 igr2= 586, 587, 588,
 &end
#
#  18 ASN  HA     18 ASN  QD2     4.85             (#peak   936)
 &rst
  ixpk= 936, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 263, 264,
 &end
#
#  18 ASN  HB2    18 ASN  QD2     3.57             (#peak    75)
 &rst
  ixpk= 75, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 263, 264,
 &end
#
#  19 TYR  H      45 LEU  QQD     4.03             (#peak   363)
 &rst
  ixpk= 363, nxpk= 0, iat= 268, 527, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,  &end
#
#  19 TYR  HA     45 LEU  QQD     5.15             (#peak   805)
 &rst
  ixpk= 805, nxpk= 0, iat= 270, 527, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  19 TYR  HB2    45 LEU  QQD     4.25             (#peak   668)
 &rst
  ixpk= 668, nxpk= 0, iat= 272, 527, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  19 TYR  HB3    45 LEU  QQD     3.52             (#peak   671)
 &rst
  ixpk= 671, nxpk= 0, iat= 273, 527, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  19 TYR  QD     45 LEU  QQD     3.06             (#peak   369)
 &rst
  ixpk= 369, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 276, 285,
 &end
#
#  19 TYR  QE     45 LEU  QQD     4.72             (#peak   372)
 &rst
  ixpk= 372, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 278, 283,
 &end
#
#  20 CYX  H      20 CYX  QB      2.89             (#peak    59)
 &rst
  ixpk= 59, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 293, 294,
 &end
#
#  20 CYX  H      45 LEU  QQD     4.91             (#peak   366)
 &rst
  ixpk= 366, nxpk= 0, iat= 289, 527, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,  &end
#
#  20 CYX  HA     21 ASN  QB      4.90             (#peak   942)
 &rst
  ixpk= 942, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 303, 304,
 &end
#
#  20 CYX  HA     45 LEU  QQD     5.29             (#peak   798)
 &rst
  ixpk= 798, nxpk= 0, iat= 291, 527, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,  &end
#
#  20 CYX  QB     21 ASN  H       4.11             (#peak    57)
 &rst
  ixpk= 57, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 293, 294,
 &end
#
#  21 ASN  H      21 ASN  QB      3.07             (#peak    55)
 &rst
  ixpk= 55, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 303, 304,
 &end
#
#  21 ASN  HA     21 ASN  QB      2.65             (#peak   874)
 &rst
  ixpk= 874, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 303, 304,
 &end
#
#  21 ASN  QB     21 ASN  HD21    2.86             (#peak    73)
 &rst
  ixpk= 73, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr1= 303, 304,
 &end
#
#  21 ASN  QB     21 ASN  HD22    3.47             (#peak    71)
 &rst
  ixpk= 71, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 303, 304,
 &end
#
#  21 ASN  QB     52 ARG  QB      4.11             (#peak   653)
 &rst
  ixpk= 653, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 303, 304,
 igr2= 632, 633,
 &end
#
#  21 ASN  QB     52 ARG  QG      5.34             (#peak   988)
 &rst
  ixpk= 988, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 303, 304,
 igr2= 635, 636,
 &end
#
#  21 ASN  HD22   53 GLY  QA      4.46             (#peak   543)
 &rst
  ixpk= 543, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 654, 655,
 &end
#
#  31 PHE  QB     36 LEU  QQD     3.97             (#peak   682)
 &rst
  ixpk= 682, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 317, 318,
 &end
#
#  31 PHE  QB     44 ALA  QB      4.42             (#peak   957)
 &rst
  ixpk= 957, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 317, 318,
 igr2= 515, 516, 517,
 &end
#
#  31 PHE  QD     36 LEU  QQD     3.31             (#peak   404)
 &rst
  ixpk= 404, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 321, 329,
 &end
#
#  31 PHE  QD     47 LEU  QB      4.72             (#peak   453)
 &rst
  ixpk= 453, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 321, 329,
 igr2= 565, 566,
 &end
#
#  31 PHE  QE     36 LEU  QQD     3.38             (#peak   403)
 &rst
  ixpk= 403, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 323, 327,
 &end
#
#  31 PHE  QE     47 LEU  QB      3.88             (#peak   259)
 &rst
  ixpk= 259, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 323, 327,
 igr2= 565, 566,
 &end
#
#  31 PHE  HZ     36 LEU  QQD     4.54             (#peak   400)
 &rst
  ixpk= 400, nxpk= 0, iat= 325, 403, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  31 PHE  HZ     45 LEU  QQD     5.44             (#peak   368)
 &rst
  ixpk= 368, nxpk= 0, iat= 325, 527, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  31 PHE  HZ     47 LEU  QB      4.69             (#peak   992)
 &rst
  ixpk= 992, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 565, 566,
 &end
#
#  32 VAL  HB     34 GLN  QE2     4.64             (#peak   260)
 &rst
  ixpk= 260, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 375, 376,
 &end
#
#  32 VAL  QQG    33 ASN  QB      4.88             (#peak   661)
 &rst
  ixpk= 661, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr2= 353, 354,
 &end
#
#  32 VAL  QQG    34 GLN  QG      3.97             (#peak   639)
 &rst
  ixpk= 639, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2= 370, 371,
 &end
#
#  34 GLN  HA     34 GLN  QG      3.58             (#peak   823)
 &rst
  ixpk= 823, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 370, 371,
 &end
#
#  34 GLN  QB     34 GLN  QE2     4.63             (#peak   260)
 &rst
  ixpk= 260, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 367, 368,
 igr2= 375, 376,
 &end
#
#  34 GLN  QB     36 LEU  QQD     5.02             (#peak   638)
 &rst
  ixpk= 638, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 367, 368,
 &end
#
#  34 GLN  QG     34 GLN  QE2     3.18             (#peak   447)
 &rst
  ixpk= 447, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 370, 371,
 igr2= 375, 376,
 &end
#
#  34 GLN  QG     36 LEU  QQD     3.34             (#peak   637)
 &rst
  ixpk= 637, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 370, 371,
 &end
#
#  34 GLN  QE2    36 LEU  QQD     4.08             (#peak   392)
 &rst
  ixpk= 392, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 375, 376,
 &end
#
#  35 HIE  QB     35 HIE  HD2     3.36             (#peak   215)
 &rst
  ixpk= 215, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 384, 385,
 &end
#
#  36 LEU  H      36 LEU  QQD     5.06             (#peak   356)
 &rst
  ixpk= 356, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,  &end
#
#  36 LEU  HA     36 LEU  QQD     2.70             (#peak   803)
 &rst
  ixpk= 803, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  36 LEU  HA     37 CYX  QB      4.73             (#peak   876)
 &rst
  ixpk= 876, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 420, 421,
 &end
#
#  36 LEU  QB     36 LEU  QQD     2.74             (#peak   616)
 &rst
  ixpk= 616, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 401, 402,
 &end
#
#  36 LEU  QB     37 CYX  H       4.34             (#peak   438)
 &rst
  ixpk= 438, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 401, 402,
 &end
#
#  36 LEU  QB     40 HIE  HB3     4.22             (#peak   693)
 &rst
  ixpk= 693, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 401, 402,
 &end
#
#  36 LEU  QQD    37 CYX  H       3.85             (#peak   261)
 &rst
  ixpk= 261, nxpk= 0, iat= 403, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 LEU  QQD    40 HIE  HB2     3.97             (#peak   680)
 &rst
  ixpk= 680, nxpk= 0, iat= 403, 448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,  &end
#
#  36 LEU  QQD    40 HIE  HB3     3.07             (#peak   679)
 &rst
  ixpk= 679, nxpk= 0, iat= 403, 449, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  36 LEU  QQD    40 HIE  HD2     5.14             (#peak   398)
 &rst
  ixpk= 398, nxpk= 0, iat= 403, 457, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,  &end
#
#  36 LEU  QQD    40 HIE  HE1     5.06             (#peak   383)
 &rst
  ixpk= 383, nxpk= 0, iat= 403, 453, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,  &end
#
#  36 LEU  QQD    41 LEU  HA      3.43             (#peak   761)
 &rst
  ixpk= 761, nxpk= 0, iat= 403, 463, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  36 LEU  QQD    44 ALA  H       4.06             (#peak   385)
 &rst
  ixpk= 385, nxpk= 0, iat= 403, 511, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#  36 LEU  QQD    44 ALA  QB      2.69             (#peak   588)
 &rst
  ixpk= 588, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 515, 516, 517,
 &end
#
#  37 CYX  H      37 CYX  QB      3.54             (#peak    31)
 &rst
  ixpk= 31, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 420, 421,
 &end
#
#  37 CYX  HA     41 LEU  QB      4.92             (#peak   915)
 &rst
  ixpk= 915, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 465, 466,
 &end
#
#  37 CYX  HA     41 LEU  QQD     4.59             (#peak   797)
 &rst
  ixpk= 797, nxpk= 0, iat= 418, 467, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
#  40 HIE  H      43 GLU  QG      4.36             (#peak   469)
 &rst
  ixpk= 469, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 503, 504,
 &end
#
#  40 HIE  HA     43 GLU  QG      4.10             (#peak   846)
 &rst
  ixpk= 846, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 503, 504,
 &end
#
#  41 LEU  H      41 LEU  QB      3.34             (#peak    41)
 &rst
  ixpk= 41, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 465, 466,
 &end
#
#  41 LEU  H      41 LEU  QQD     4.21             (#peak   264)
 &rst
  ixpk= 264, nxpk= 0, iat= 461, 467, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  41 LEU  HA     41 LEU  QQD     2.77             (#peak   764)
 &rst
  ixpk= 764, nxpk= 0, iat= 463, 467, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  41 LEU  HA     45 LEU  QQD     5.11             (#peak  1038)
 &rst
  ixpk= 1038, nxpk= 0, iat= 463, 527, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,  &end
#
#  41 LEU  QB     41 LEU  QQD     2.79             (#peak   580)
 &rst
  ixpk= 580, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 465, 466,
 &end
#
#  41 LEU  QB     42 VAL  H       3.74             (#peak   249)
 &rst
  ixpk= 249, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 465, 466,
 &end
#
#  41 LEU  QB     45 LEU  QQD     4.04             (#peak   585)
 &rst
  ixpk= 585, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 465, 466,
 &end
#
#  41 LEU  QQD    42 VAL  HA      4.16             (#peak   670)
 &rst
  ixpk= 670, nxpk= 0, iat= 467, 482, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  41 LEU  QQD    42 VAL  QQG     4.48             (#peak   572)
 &rst
  ixpk= 572, nxpk= 0, iat= 467, 483, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,  &end
#
#  41 LEU  QQD    44 ALA  H       4.89             (#peak   237)
 &rst
  ixpk= 237, nxpk= 0, iat= 467, 511, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,  &end
#
#  41 LEU  QQD    44 ALA  QB      3.35             (#peak   590)
 &rst
  ixpk= 590, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 515, 516, 517,
 &end
#
#  41 LEU  QQD    45 LEU  H       3.96             (#peak   123)
 &rst
  ixpk= 123, nxpk= 0, iat= 467, 521, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  41 LEU  QQD    45 LEU  HG      3.08             (#peak   589)
 &rst
  ixpk= 589, nxpk= 0, iat= 467, 528, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  41 LEU  QQD    45 LEU  QQD     2.91             (#peak   565)
 &rst
  ixpk= 565, nxpk= 0, iat= 467, 527, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,  &end
#
#  41 LEU  QQD    54 HIE  HE1     5.44             (#peak   365)
 &rst
  ixpk= 365, nxpk= 0, iat= 467, 668, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  41 LEU  QQD    56 TYR  QD      4.31             (#peak   370)
 &rst
  ixpk= 370, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2= 704, 713,
 &end
#
#  41 LEU  QQD    56 TYR  QE      3.54             (#peak   362)
 &rst
  ixpk= 362, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 706, 711,
 &end
#
#  42 VAL  HA     45 LEU  QQD     3.61             (#peak   665)
 &rst
  ixpk= 665, nxpk= 0, iat= 482, 527, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  42 VAL  QQG    45 LEU  QQD     3.81             (#peak   576)
 &rst
  ixpk= 576, nxpk= 0, iat= 483, 527, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,  &end
#
#  42 VAL  QQG    56 TYR  QB      4.56             (#peak  1034)
 &rst
  ixpk= 1034, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr2= 700, 701,
 &end
#
#  43 GLU  H      45 LEU  QQD     5.44             (#peak   275)
 &rst
  ixpk= 275, nxpk= 0, iat= 496, 527, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  43 GLU  HA     43 GLU  QG      3.49             (#peak   835)
 &rst
  ixpk= 835, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 503, 504,
 &end
#
#  43 GLU  QG     44 ALA  H       4.09             (#peak   137)
 &rst
  ixpk= 137, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 503, 504,
 &end
#
#  44 ALA  HA     47 LEU  QQD     4.16             (#peak   779)
 &rst
  ixpk= 779, nxpk= 0, iat= 513, 567, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  45 LEU  H      45 LEU  QQD     3.65             (#peak   274)
 &rst
  ixpk= 274, nxpk= 0, iat= 521, 527, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  45 LEU  HA     45 LEU  QQD     2.62             (#peak   751)
 &rst
  ixpk= 751, nxpk= 0, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  45 LEU  QQD    48 VAL  H       5.44             (#peak   373)
 &rst
  ixpk= 373, nxpk= 0, iat= 527, 580, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  45 LEU  QQD    48 VAL  QG2     4.76             (#peak   572)
 &rst
  ixpk= 572, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr2= 590, 591, 592,
 &end
#
#  45 LEU  QQD    49 CYX  H       4.93             (#peak   288)
 &rst
  ixpk= 288, nxpk= 0, iat= 527, 596, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,  &end
#
#  45 LEU  QQD    54 HIE  H       5.44             (#peak   275)
 &rst
  ixpk= 275, nxpk= 0, iat= 527, 659, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  45 LEU  QQD    54 HIE  HB2     3.99             (#peak   673)
 &rst
  ixpk= 673, nxpk= 0, iat= 527, 663, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  45 LEU  QQD    54 HIE  HB3     3.79             (#peak   671)
 &rst
  ixpk= 671, nxpk= 0, iat= 527, 664, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
#  45 LEU  QQD    54 HIE  HD2     4.10             (#peak   268)
 &rst
  ixpk= 268, nxpk= 0, iat= 527, 672, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  45 LEU  QQD    54 HIE  HE1     4.21             (#peak   266)
 &rst
  ixpk= 266, nxpk= 0, iat= 527, 668, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  45 LEU  QQD    55 PHE  QE      5.44             (#peak   271)
 &rst
  ixpk= 271, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2= 686, 690,
 &end
#
#  45 LEU  QQD    56 TYR  H       4.46             (#peak   266)
 &rst
  ixpk= 266, nxpk= 0, iat= 527, 696, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  45 LEU  QQD    56 TYR  HA      5.40             (#peak  1037)
 &rst
  ixpk= 1037, nxpk= 0, iat= 527, 698, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,  &end
#
#  45 LEU  QQD    56 TYR  QB      3.58             (#peak   667)
 &rst
  ixpk= 667, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 700, 701,
 &end
#
#  45 LEU  QQD    56 TYR  QD      3.58             (#peak   270)
 &rst
  ixpk= 270, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 704, 713,
 &end
#
#  45 LEU  QQD    56 TYR  QE      3.93             (#peak   269)
 &rst
  ixpk= 269, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 706, 711,
 &end
#
#  46 TYR  QD     47 LEU  QB      4.75             (#peak   259)
 &rst
  ixpk= 259, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 548, 557,
 igr2= 565, 566,
 &end
#
#  46 TYR  QD     47 LEU  QQD     4.10             (#peak   402)
 &rst
  ixpk= 402, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 548, 557,
 &end
#
#  46 TYR  QE     47 LEU  QB      5.34             (#peak   997)
 &rst
  ixpk= 997, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 550, 555,
 igr2= 565, 566,
 &end
#
#  46 TYR  QE     47 LEU  QQD     3.84             (#peak   409)
 &rst
  ixpk= 409, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 550, 555,
 &end
#
#  47 LEU  H      47 LEU  QB      3.23             (#peak   125)
 &rst
  ixpk= 125, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 565, 566,
 &end
#
#  47 LEU  H      47 LEU  QQD     4.26             (#peak   390)
 &rst
  ixpk= 390, nxpk= 0, iat= 561, 567, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,  &end
#
#  47 LEU  HA     47 LEU  QQD     2.74             (#peak   780)
 &rst
  ixpk= 780, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  47 LEU  QB     47 LEU  QQD     2.75             (#peak   613)
 &rst
  ixpk= 613, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 565, 566,
 &end
#
#  47 LEU  QB     48 VAL  HA      4.88             (#peak  1041)
 &rst
  ixpk= 1041, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 565, 566,
 &end
#
#  47 LEU  QQD    48 VAL  H       4.71             (#peak   375)
 &rst
  ixpk= 375, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
#  49 CYX  H      50 GLY  QA      5.13             (#peak   292)
 &rst
  ixpk= 292, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 608, 609,
 &end
#
#  49 CYX  HB3    50 GLY  QA      4.61             (#peak   727)
 &rst
  ixpk= 727, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 608, 609,
 &end
#
#  52 ARG  H      52 ARG  QB      3.46             (#peak   255)
 &rst
  ixpk= 255, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 632, 633,
 &end
#
#  52 ARG  H      52 ARG  QD      4.28             (#peak    58)
 &rst
  ixpk= 58, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 638, 639,
 &end
#
#  52 ARG  HA     52 ARG  QD      4.17             (#peak   893)
 &rst
  ixpk= 893, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 638, 639,
 &end
#
#  52 ARG  QB     52 ARG  QD      3.09             (#peak   696)
 &rst
  ixpk= 696, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 632, 633,
 igr2= 638, 639,
 &end
#
#  52 ARG  QD     53 GLY  H       5.34             (#peak  1003)
 &rst
  ixpk= 1003, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 638, 639,
 &end
#
#  53 GLY  QA     54 HIE  HD2     4.25             (#peak  1002)
 &rst
  ixpk= 1002, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 654, 655,
 &end
#
#  55 PHE  H      55 PHE  QB      3.59             (#peak   154)
 &rst
  ixpk= 154, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 680, 681,
 &end
#
#  55 PHE  QD     56 TYR  QB      4.58             (#peak   474)
 &rst
  ixpk= 474, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 684, 692,
 igr2= 700, 701,
 &end
#
#  56 TYR  QE     58 PRO  QB      3.75             (#peak   465)
 &rst
  ixpk= 465, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 706, 711,
 igr2= 738, 739,
 &end
#
#  57 THR  HA     58 PRO  QB      5.14             (#peak   847)
 &rst
  ixpk= 847, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 738, 739,
 &end
#
#  58 PRO  QB     60 THR  H       5.23             (#peak  1000)
 &rst
  ixpk= 1000, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 738, 739,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1 -12.155   4.424   0.567
    2    H2   GLY   1           2H       GLY   1 -11.529   4.587  -0.939
    3    H3   GLY   1           3H       GLY   1 -10.821   5.346   0.327
    4    HA2  GLY   1           HA2      GLY   1 -10.195   3.252   1.326
    5    HA3  GLY   1           HA3      GLY   1 -10.982   2.419  -0.027
    6    H    ILE   2           H        ILE   2  -8.209   2.243   0.815
    7    HA   ILE   2           HA       ILE   2  -6.329   3.851  -0.386
    8    HB   ILE   2           HB       ILE   2  -5.913   2.092   1.270
    9   HG12  ILE   2          2HG1      ILE   2  -4.113   1.835  -1.168
   10   HG13  ILE   2          3HG1      ILE   2  -4.052   3.132   0.030
   11   HG21  ILE   2          1HG2      ILE   2  -5.662  -0.231   0.766
   12   HG22  ILE   2          2HG2      ILE   2  -7.246   0.233   0.166
   13   HG23  ILE   2          3HG2      ILE   2  -5.890   0.030  -0.970
   14   HD11  ILE   2          3HD1      ILE   2  -3.337   0.205   0.372
   15   HD12  ILE   2          1HD1      ILE   2  -2.340   1.643   0.674
   16   HD13  ILE   2          2HD1      ILE   2  -3.668   1.243   1.775
   17    H    VAL   3           H        VAL   3  -7.890   1.157  -2.050
   18    HA   VAL   3           HA       VAL   3  -6.251   1.059  -4.350
   19    HB   VAL   3           HB       VAL   3  -9.206   0.365  -4.083
   20   HG11  VAL   3          1HG1      VAL   3  -7.197  -0.659  -6.137
   21   HG12  VAL   3          2HG1      VAL   3  -8.854  -1.241  -5.924
   22   HG13  VAL   3          3HG1      VAL   3  -8.582   0.408  -6.483
   23   HG21  VAL   3          3HG2      VAL   3  -6.701  -1.340  -3.705
   24   HG22  VAL   3          1HG2      VAL   3  -7.853  -0.864  -2.438
   25   HG23  VAL   3          2HG2      VAL   3  -8.364  -1.963  -3.716
   26    H    GLU   4           H        GLU   4  -8.827   3.344  -3.563
   27    HA   GLU   4           HA       GLU   4  -9.336   4.266  -6.249
   28    HB2  GLU   4           2HB      GLU   4 -10.809   4.378  -4.110
   29    HB3  GLU   4           3HB      GLU   4  -9.841   5.779  -3.666
   30    HG2  GLU   4           2HG      GLU   4 -11.891   6.517  -4.682
   31    HG3  GLU   4           3HG      GLU   4 -10.581   6.916  -5.778
   32    H    GLN   5           H        GLN   5  -6.716   4.853  -4.084
   33    HA   GLN   5           HA       GLN   5  -5.807   7.217  -5.712
   34    HB2  GLN   5           2HB      GLN   5  -6.335   7.814  -3.372
   35    HB3  GLN   5           3HB      GLN   5  -5.259   6.543  -2.779
   36    HG2  GLN   5           2HG      GLN   5  -3.306   7.685  -3.755
   37    HG3  GLN   5           3HG      GLN   5  -4.356   8.902  -4.492
   38   HE21  GLN   5          2HE2      GLN   5  -5.654  10.313  -2.924
   39   HE22  GLN   5          1HE2      GLN   5  -4.903  10.659  -1.377
   40    H    CYS   6           H        CYS   6  -4.714   4.306  -3.885
   41    HA   CYS   6           HA       CYS   6  -2.021   4.645  -5.041
   42    HB2  CYS   6           2HB      CYS   6  -3.147   3.009  -2.764
   43    HB3  CYS   6           3HB      CYS   6  -1.456   3.009  -3.258
   44    H    CYS   7           H        CYS   7  -4.613   2.869  -6.078
   45    HA   CYS   7           HA       CYS   7  -2.706   1.051  -7.507
   46    HB2  CYS   7           2HB      CYS   7  -5.626   0.823  -6.888
   47    HB3  CYS   7           3HB      CYS   7  -5.073   0.174  -8.421
   48    H    THR   8           H        THR   8  -4.738   3.856  -7.839
   49    HA   THR   8           HA       THR   8  -4.719   3.874 -10.797
   50    HB   THR   8           HB       THR   8  -6.081   5.973 -10.402
   51    HG1  THR   8           HG1      THR   8  -6.830   6.185  -8.208
   52   HG21  THR   8          1HG2      THR   8  -8.099   4.802  -9.661
   53   HG22  THR   8          2HG2      THR   8  -7.168   3.752 -10.742
   54   HG23  THR   8          3HG2      THR   8  -7.134   3.474  -8.986
   55    H    SER   9           H        SER   9  -3.249   5.568  -8.076
   56    HA   SER   9           HA       SER   9  -1.191   6.841  -9.830
   57    HB2  SER   9           2HB      SER   9  -3.162   8.389  -9.377
   58    HB3  SER   9           3HB      SER   9  -2.733   8.305  -7.662
   59    HG   SER   9           HG       SER   9  -1.796  10.117  -8.864
   60    H    ILE  10           H        ILE  10  -0.095   8.267  -7.668
   61    HA   ILE  10           HA       ILE  10   1.595   6.076  -6.716
   62    HB   ILE  10           HB       ILE  10   1.928   9.090  -6.604
   63   HG12  ILE  10          2HG1      ILE  10   2.656   6.879  -8.551
   64   HG13  ILE  10          3HG1      ILE  10   1.847   8.407  -8.857
   65   HG21  ILE  10          1HG2      ILE  10   3.234   8.045  -4.807
   66   HG22  ILE  10          2HG2      ILE  10   3.920   6.878  -5.948
   67   HG23  ILE  10          3HG2      ILE  10   4.300   8.612  -6.073
   68   HD11  ILE  10          3HD1      ILE  10   4.784   8.021  -8.254
   69   HD12  ILE  10          1HD1      ILE  10   4.015   8.415  -9.816
   70   HD13  ILE  10          2HD1      ILE  10   3.964   9.599  -8.485
   71    H    CYS  11           H        CYS  11   1.616   5.188  -4.821
   72    HA   CYS  11           HA       CYS  11   0.652   6.648  -2.399
   73    HB2  CYS  11           2HB      CYS  11   0.615   3.873  -3.129
   74    HB3  CYS  11           3HB      CYS  11   1.766   4.062  -1.824
   75    H    SER  12           H        SER  12   2.111   7.457  -0.986
   76    HA   SER  12           HA       SER  12   5.022   6.825  -1.300
   77    HB2  SER  12           2HB      SER  12   3.809   9.528  -0.614
   78    HB3  SER  12           3HB      SER  12   5.534   9.139  -0.676
   79    HG   SER  12           HG       SER  12   3.676   9.276  -2.828
   80    H    LEU  13           H        LEU  13   6.241   7.183   0.732
   81    HA   LEU  13           HA       LEU  13   5.348   5.571   2.716
   82    HB2  LEU  13           2HB      LEU  13   7.189   6.390   4.072
   83    HB3  LEU  13           3HB      LEU  13   7.630   6.174   2.387
   84    HG   LEU  13           HG       LEU  13   7.020   8.864   2.388
   85   HD11  LEU  13          1HD1      LEU  13   8.359   8.325   5.078
   86   HD12  LEU  13          2HD1      LEU  13   8.014   9.910   4.353
   87   HD13  LEU  13          3HD1      LEU  13   6.687   8.873   4.891
   88   HD21  LEU  13          3HD2      LEU  13   9.451   9.247   2.439
   89   HD22  LEU  13          1HD2      LEU  13   9.706   7.606   3.074
   90   HD23  LEU  13          2HD2      LEU  13   9.041   7.843   1.442
   91    H    TYR  14           H        TYR  14   4.892   9.100   2.873
   92    HA   TYR  14           HA       TYR  14   3.790   9.052   5.535
   93    HB2  TYR  14           2HB      TYR  14   3.124  11.425   4.895
   94    HB3  TYR  14           3HB      TYR  14   4.839  11.035   4.810
   95    HD1  TYR  14           HD2      TYR  14   1.778  11.619   2.774
   96    HD2  TYR  14           HD1      TYR  14   6.061  11.145   2.744
   97    HE1  TYR  14           HE2      TYR  14   1.819  12.222   0.366
   98    HE2  TYR  14           HE1      TYR  14   6.124  11.786   0.351
   99    HH   TYR  14           HH       TYR  14   3.144  12.641  -1.480
  100    H    GLN  15           H        GLN  15   2.362   8.462   2.431
  101    HA   GLN  15           HA       GLN  15  -0.434   8.751   3.437
  102    HB2  GLN  15           2HB      GLN  15   0.846   8.249   0.733
  103    HB3  GLN  15           3HB      GLN  15  -0.836   7.807   1.002
  104    HG2  GLN  15           2HG      GLN  15   0.290  10.602   1.350
  105    HG3  GLN  15           3HG      GLN  15  -0.607  10.020  -0.048
  106   HE21  GLN  15          2HE2      GLN  15  -2.952   9.431   0.270
  107   HE22  GLN  15          1HE2      GLN  15  -3.798  10.162   1.632
  108    H    LEU  16           H        LEU  16   1.868   6.230   2.291
  109    HA   LEU  16           HA       LEU  16   0.287   3.950   2.724
  110    HB2  LEU  16           2HB      LEU  16   3.236   4.587   2.838
  111    HB3  LEU  16           3HB      LEU  16   2.682   2.936   3.082
  112    HG   LEU  16           HG       LEU  16   2.046   4.565   0.581
  113   HD11  LEU  16          1HD1      LEU  16   4.485   4.233   0.766
  114   HD12  LEU  16          2HD1      LEU  16   4.236   2.486   1.010
  115   HD13  LEU  16          3HD1      LEU  16   3.806   3.246  -0.538
  116   HD21  LEU  16          3HD2      LEU  16   1.948   1.577   1.162
  117   HD22  LEU  16          1HD2      LEU  16   0.522   2.639   1.064
  118   HD23  LEU  16          2HD2      LEU  16   1.519   2.340  -0.371
  119    H    GLU  17           H        GLU  17   2.263   5.783   5.068
  120    HA   GLU  17           HA       GLU  17   2.045   4.018   7.224
  121    HB2  GLU  17           2HB      GLU  17   3.452   6.112   6.998
  122    HB3  GLU  17           3HB      GLU  17   2.029   7.053   7.452
  123    HG2  GLU  17           2HG      GLU  17   1.924   5.851   9.614
  124    HG3  GLU  17           3HG      GLU  17   3.257   4.806   9.119
  125    H    ASN  18           H        ASN  18  -0.445   6.177   5.949
  126    HA   ASN  18           HA       ASN  18  -2.152   6.225   8.262
  127    HB2  ASN  18           2HB      ASN  18  -2.928   6.397   5.323
  128    HB3  ASN  18           3HB      ASN  18  -3.940   6.845   6.680
  129   HD21  ASN  18          2HD2      ASN  18  -2.934   8.472   4.384
  130   HD22  ASN  18          1HD2      ASN  18  -2.164   9.859   5.130
  131    H    TYR  19           H        TYR  19  -1.473   3.644   6.043
  132    HA   TYR  19           HA       TYR  19  -3.871   2.117   6.947
  133    HB2  TYR  19           2HB      TYR  19  -2.054   1.325   4.690
  134    HB3  TYR  19           3HB      TYR  19  -3.703   0.816   4.996
  135    HD1  TYR  19           HD2      TYR  19  -5.605   2.566   4.628
  136    HD2  TYR  19           HD1      TYR  19  -1.547   3.187   3.370
  137    HE1  TYR  19           HE2      TYR  19  -6.353   4.396   3.119
  138    HE2  TYR  19           HE1      TYR  19  -2.260   5.000   1.846
  139    HH   TYR  19           HH       TYR  19  -5.718   6.001   1.593
  140    H    CYS  20           H        CYS  20  -0.874   2.628   8.031
  141    HA   CYS  20           HA       CYS  20   0.049  -0.078   8.596
  142    HB2  CYS  20           2HB      CYS  20   1.529   1.903   8.500
  143    HB3  CYS  20           3HB      CYS  20   0.725   2.562   9.920
  144    H    ASN  21           H        ASN  21  -0.194  -1.197  10.621
  145    HA   ASN  21           HA       ASN  21  -2.857  -1.165  11.507
  146    HB2  ASN  21           2HB      ASN  21  -2.342  -2.947  12.951
  147    HB3  ASN  21           3HB      ASN  21  -1.545  -3.158  11.403
  148   HD21  ASN  21          1HD2      ASN  21  -0.593  -4.772  13.117
  149   HD22  ASN  21          2HD2      ASN  21   0.940  -4.234  13.754
  150    H1   PHE   1           H        PHE   1  12.183   0.733  -1.105
  151    HA   PHE   1           HA       PHE   1  11.367   0.096  -3.741
  152    HB2  PHE   1           2HB      PHE   1   9.050   0.178  -3.736
  153    HB3  PHE   1           3HB      PHE   1   9.441  -0.880  -2.401
  154    HD1  PHE   1           HD1      PHE   1   9.567   0.226  -0.033
  155    HD2  PHE   1           HD2      PHE   1   7.643   2.044  -3.416
  156    HE1  PHE   1           HE1      PHE   1   8.258   1.678   1.506
  157    HE2  PHE   1           HE2      PHE   1   6.346   3.527  -1.888
  158    HZ   PHE   1           HZ       PHE   1   6.667   3.343   0.573
  159    H    VAL   2           H        VAL   2  10.124   2.012  -4.754
  160    HA   VAL   2           HA       VAL   2  10.866   4.665  -3.602
  161    HB   VAL   2           HB       VAL   2  11.302   3.864  -6.511
  162   HG11  VAL   2          1HG1      VAL   2  12.471   6.079  -6.682
  163   HG12  VAL   2          2HG1      VAL   2  10.749   6.238  -6.360
  164   HG13  VAL   2          3HG1      VAL   2  11.919   6.467  -5.039
  165   HG21  VAL   2          3HG2      VAL   2  13.377   4.387  -4.331
  166   HG22  VAL   2          1HG2      VAL   2  13.068   2.834  -5.141
  167   HG23  VAL   2          2HG2      VAL   2  13.736   4.181  -6.058
  168    H    ASN   3           H        ASN   3   9.387   6.285  -4.070
  169    HA   ASN   3           HA       ASN   3   6.675   5.688  -4.469
  170    HB2  ASN   3           2HB      ASN   3   8.083   8.319  -5.018
  171    HB3  ASN   3           3HB      ASN   3   6.366   8.108  -4.692
  172   HD21  ASN   3          2HD2      ASN   3   8.401   9.731  -3.226
  173   HD22  ASN   3          1HD2      ASN   3   8.363   9.129  -1.579
  174    H    GLN   4           H        GLN   4   5.477   5.137  -6.124
  175    HA   GLN   4           HA       GLN   4   5.831   6.002  -8.863
  176    HB2  GLN   4           2HB      GLN   4   6.509   3.918  -9.831
  177    HB3  GLN   4           3HB      GLN   4   7.693   4.332  -8.604
  178    HG2  GLN   4           2HG      GLN   4   6.427   2.748  -7.016
  179    HG3  GLN   4           3HG      GLN   4   5.484   2.231  -8.414
  180   HE21  GLN   4          2HE2      GLN   4   8.805   2.427  -7.101
  181   HE22  GLN   4          1HE2      GLN   4   9.448   1.124  -8.108
  182    H    HIS   5           H        HIS   5   4.344   4.458 -10.288
  183    HA   HIS   5           HA       HIS   5   1.698   4.447  -9.088
  184    HB2  HIS   5           2HB      HIS   5   2.714   3.577 -11.816
  185    HB3  HIS   5           3HB      HIS   5   1.015   3.665 -11.340
  186    HD2  HIS   5           HD2      HIS   5   3.787   5.809 -12.689
  187    HE1  HIS   5           HE1      HIS   5   0.766   8.554 -11.473
  188    HE2  HIS   5           HE2      HIS   5   2.951   8.304 -12.769
  189    H    LEU   6           H        LEU   6   2.402   3.023  -7.343
  190    HA   LEU   6           HA       LEU   6   2.745   0.189  -7.559
  191    HB2  LEU   6           2HB      LEU   6   1.422   1.875  -5.381
  192    HB3  LEU   6           3HB      LEU   6   1.945   0.211  -5.177
  193    HG   LEU   6           HG       LEU   6   3.824   2.557  -5.704
  194   HD11  LEU   6          1HD1      LEU   6   3.156   1.031  -3.160
  195   HD12  LEU   6          2HD1      LEU   6   4.447   2.246  -3.324
  196   HD13  LEU   6          3HD1      LEU   6   2.754   2.722  -3.518
  197   HD21  LEU   6          3HD2      LEU   6   5.609   0.970  -5.075
  198   HD22  LEU   6          1HD2      LEU   6   4.410  -0.332  -4.948
  199   HD23  LEU   6          2HD2      LEU   6   4.761   0.415  -6.525
  200    H    CYS   7           H        CYS   7   1.210  -1.427  -6.848
  201    HA   CYS   7           HA       CYS   7  -1.465  -1.068  -6.256
  202    HB2  CYS   7           2HB      CYS   7  -1.779  -0.596  -8.721
  203    HB3  CYS   7           3HB      CYS   7  -1.209  -2.220  -9.056
  204    H    GLY   8           H        GLY   8  -2.495  -3.100  -5.646
  205    HA2  GLY   8           HA2      GLY   8  -2.590  -5.292  -4.935
  206    HA3  GLY   8           HA3      GLY   8  -1.673  -5.642  -6.402
  207    H    SER   9           H        SER   9   0.042  -6.856  -6.026
  208    HA   SER   9           HA       SER   9   1.213  -7.442  -3.504
  209    HB2  SER   9           2HB      SER   9   3.050  -8.412  -4.927
  210    HB3  SER   9           3HB      SER   9   1.418  -8.996  -5.285
  211    HG   SER   9           HG       SER   9   2.606  -8.476  -7.202
  212    H    HIS  10           H        HIS  10   2.469  -5.219  -6.085
  213    HA   HIS  10           HA       HIS  10   4.732  -4.333  -4.662
  214    HB2  HIS  10           2HB      HIS  10   3.652  -3.815  -7.131
  215    HB3  HIS  10           3HB      HIS  10   3.289  -2.298  -6.304
  216    HD2  HIS  10           HD2      HIS  10   6.173  -2.323  -4.587
  217    HE1  HIS  10           HE1      HIS  10   7.818  -1.800  -8.473
  218    HE2  HIS  10           HE2      HIS  10   8.278  -1.598  -5.975
  219    H    LEU  11           H        LEU  11   1.376  -3.257  -4.398
  220    HA   LEU  11           HA       LEU  11   1.903  -0.980  -2.655
  221    HB2  LEU  11           2HB      LEU  11  -0.146  -1.633  -4.242
  222    HB3  LEU  11           3HB      LEU  11  -0.757  -2.392  -2.789
  223    HG   LEU  11           HG       LEU  11  -0.150   0.537  -3.326
  224   HD11  LEU  11          1HD1      LEU  11  -2.572   0.793  -2.886
  225   HD12  LEU  11          2HD1      LEU  11  -2.290  -0.377  -4.181
  226   HD13  LEU  11          3HD1      LEU  11  -2.711  -0.937  -2.549
  227   HD21  LEU  11          3HD2      LEU  11  -0.965   1.068  -1.060
  228   HD22  LEU  11          1HD2      LEU  11  -0.972  -0.667  -0.653
  229   HD23  LEU  11          2HD2      LEU  11   0.552   0.183  -1.018
  230    H    VAL  12           H        VAL  12   0.828  -4.367  -2.105
  231    HA   VAL  12           HA       VAL  12   0.799  -4.294   0.752
  232    HB   VAL  12           HB       VAL  12   1.334  -6.547  -1.221
  233   HG11  VAL  12          1HG1      VAL  12   0.970  -8.179   0.612
  234   HG12  VAL  12          2HG1      VAL  12   2.477  -7.289   0.799
  235   HG13  VAL  12          3HG1      VAL  12   1.070  -6.863   1.795
  236   HG21  VAL  12          3HG2      VAL  12  -1.056  -5.975   0.567
  237   HG22  VAL  12          1HG2      VAL  12  -0.969  -5.631  -1.167
  238   HG23  VAL  12          2HG2      VAL  12  -0.892  -7.302  -0.600
  239    H    GLU  13           H        GLU  13   3.496  -5.015  -1.474
  240    HA   GLU  13           HA       GLU  13   5.527  -5.479   0.479
  241    HB2  GLU  13           2HB      GLU  13   5.666  -4.377  -2.355
  242    HB3  GLU  13           3HB      GLU  13   7.084  -4.803  -1.411
  243    HG2  GLU  13           2HG      GLU  13   4.902  -6.853  -1.934
  244    HG3  GLU  13           3HG      GLU  13   6.121  -6.481  -3.139
  245    H    ALA  14           H        ALA  14   4.577  -2.431  -1.213
  246    HA   ALA  14           HA       ALA  14   6.456  -0.717   0.045
  247    HB1  ALA  14           3HB      ALA  14   5.114  -0.181  -1.994
  248    HB2  ALA  14           1HB      ALA  14   3.644  -0.119  -0.991
  249    HB3  ALA  14           2HB      ALA  14   4.942   1.054  -0.731
  250    H    LEU  15           H        LEU  15   3.048  -1.452   0.958
  251    HA   LEU  15           HA       LEU  15   2.968   0.075   3.340
  252    HB2  LEU  15           2HB      LEU  15   1.542  -2.463   2.420
  253    HB3  LEU  15           3HB      LEU  15   1.249  -1.751   4.019
  254    HG   LEU  15           HG       LEU  15   0.779  -0.306   1.429
  255   HD11  LEU  15          1HD1      LEU  15  -1.591  -0.787   1.810
  256   HD12  LEU  15          2HD1      LEU  15  -0.655  -2.290   1.707
  257   HD13  LEU  15          3HD1      LEU  15  -1.195  -1.686   3.289
  258   HD21  LEU  15          3HD2      LEU  15  -0.048   0.303   4.308
  259   HD22  LEU  15          1HD2      LEU  15   1.141   1.215   3.371
  260   HD23  LEU  15          2HD2      LEU  15  -0.551   1.222   2.866
  261    H    TYR  16           H        TYR  16   4.050  -3.325   2.897
  262    HA   TYR  16           HA       TYR  16   4.685  -3.768   5.667
  263    HB2  TYR  16           2HB      TYR  16   4.446  -5.654   4.228
  264    HB3  TYR  16           3HB      TYR  16   5.617  -5.029   3.071
  265    HD1  TYR  16           HD2      TYR  16   5.306  -6.258   6.605
  266    HD2  TYR  16           HD1      TYR  16   7.930  -5.510   3.264
  267    HE1  TYR  16           HE2      TYR  16   7.190  -7.289   7.855
  268    HE2  TYR  16           HE1      TYR  16   9.822  -6.511   4.514
  269    HH   TYR  16           HH       TYR  16  10.501  -7.524   6.479
  270    H    LEU  17           H        LEU  17   6.715  -2.511   2.961
  271    HA   LEU  17           HA       LEU  17   9.094  -2.277   4.571
  272    HB2  LEU  17           2HB      LEU  17   8.203  -1.086   1.928
  273    HB3  LEU  17           3HB      LEU  17   9.786  -0.741   2.615
  274    HG   LEU  17           HG       LEU  17   8.799  -3.576   2.052
  275   HD11  LEU  17          1HD1      LEU  17  10.177  -3.521   0.037
  276   HD12  LEU  17          2HD1      LEU  17   8.941  -2.255  -0.038
  277   HD13  LEU  17          3HD1      LEU  17  10.626  -1.833   0.357
  278   HD21  LEU  17          3HD2      LEU  17  11.216  -4.148   2.168
  279   HD22  LEU  17          1HD2      LEU  17  11.580  -2.479   2.656
  280   HD23  LEU  17          2HD2      LEU  17  10.612  -3.537   3.708
  281    H    VAL  18           H        VAL  18   6.461   0.024   3.963
  282    HA   VAL  18           HA       VAL  18   7.666   2.194   5.482
  283    HB   VAL  18           HB       VAL  18   4.782   1.613   4.708
  284   HG11  VAL  18          1HG1      VAL  18   4.306   3.995   5.226
  285   HG12  VAL  18          2HG1      VAL  18   4.681   3.081   6.683
  286   HG13  VAL  18          3HG1      VAL  18   5.910   4.155   5.972
  287   HG21  VAL  18          3HG2      VAL  18   5.159   3.358   3.054
  288   HG22  VAL  18          1HG2      VAL  18   6.815   3.624   3.644
  289   HG23  VAL  18          2HG2      VAL  18   6.364   2.101   2.856
  290    H    CYS  19           H        CYS  19   5.035  -0.094   6.310
  291    HA   CYS  19           HA       CYS  19   4.784   0.833   9.028
  292    HB2  CYS  19           2HB      CYS  19   3.014  -0.144   7.515
  293    HB3  CYS  19           3HB      CYS  19   3.757  -1.719   7.739
  294    H    GLY  20           H        GLY  20   6.713  -1.749   7.640
  295    HA2  GLY  20           HA2      GLY  20   8.506  -2.897   8.600
  296    HA3  GLY  20           HA3      GLY  20   8.043  -2.310  10.211
  297    H    GLU  21           H        GLU  21   8.528  -4.494  10.827
  298    HA   GLU  21           HA       GLU  21   7.189  -6.834  10.024
  299    HB2  GLU  21           2HB      GLU  21   9.280  -6.587  11.389
  300    HB3  GLU  21           3HB      GLU  21   8.282  -6.168  12.785
  301    HG2  GLU  21           2HG      GLU  21   7.248  -8.403  12.739
  302    HG3  GLU  21           3HG      GLU  21   8.089  -8.788  11.232
  303    H    ARG  22           H        ARG  22   5.908  -4.217  11.829
  304    HA   ARG  22           HA       ARG  22   3.880  -5.235  13.463
  305    HB2  ARG  22           2HB      ARG  22   4.168  -2.776  11.710
  306    HB3  ARG  22           3HB      ARG  22   2.678  -3.061  12.594
  307    HG2  ARG  22           2HG      ARG  22   3.778  -3.034  14.724
  308    HG3  ARG  22           3HG      ARG  22   5.380  -3.077  13.972
  309    HD2  ARG  22           2HD      ARG  22   4.966  -0.858  14.768
  310    HD3  ARG  22           3HD      ARG  22   5.006  -0.836  13.001
  311    HE   ARG  22           HE       ARG  22   2.296  -1.122  13.703
  312   HH11  ARG  22          1HH2      ARG  22   4.805   1.334  14.181
  313   HH12  ARG  22          2HH2      ARG  22   3.644   2.624  14.290
  314   HH21  ARG  22          1HH1      ARG  22   0.858   0.590  13.841
  315   HH22  ARG  22          2HH1      ARG  22   1.448   2.203  14.103
  316    H    GLY  23           H        GLY  23   3.715  -4.698   9.913
  317    HA2  GLY  23           HA2      GLY  23   2.306  -5.768   8.348
  318    HA3  GLY  23           HA3      GLY  23   1.390  -6.520   9.672
  319    H    HIS  24           H        HIS  24   0.006  -5.622   7.636
  320    HA   HIS  24           HA       HIS  24  -1.426  -3.179   8.542
  321    HB2  HIS  24           2HB      HIS  24  -1.314  -2.282   6.233
  322    HB3  HIS  24           3HB      HIS  24   0.269  -2.390   6.995
  323    HD2  HIS  24           HD2      HIS  24   2.102  -3.686   5.681
  324    HE1  HIS  24           HE1      HIS  24  -0.297  -5.325   2.599
  325    HE2  HIS  24           HE2      HIS  24   2.086  -5.018   3.422
  326    H    PHE  25           H        PHE  25  -3.496  -2.838   7.374
  327    HA   PHE  25           HA       PHE  25  -4.918  -5.402   7.391
  328    HB2  PHE  25           2HB      PHE  25  -6.927  -3.989   7.549
  329    HB3  PHE  25           3HB      PHE  25  -5.745  -3.702   8.803
  330    HD1  PHE  25           HD2      PHE  25  -6.987  -2.309   5.530
  331    HD2  PHE  25           HD1      PHE  25  -5.008  -1.507   9.280
  332    HE1  PHE  25           HE2      PHE  25  -7.112   0.125   5.079
  333    HE2  PHE  25           HE1      PHE  25  -5.170   0.927   8.841
  334    HZ   PHE  25           HZ       PHE  25  -6.246   1.749   6.755
  335    H    TYR  26           H        TYR  26  -3.899  -3.253   4.827
  336    HA   TYR  26           HA       TYR  26  -5.927  -4.240   2.921
  337    HB2  TYR  26           2HB      TYR  26  -5.187  -2.019   2.558
  338    HB3  TYR  26           3HB      TYR  26  -3.493  -2.476   2.658
  339    HD1  TYR  26           HD2      TYR  26  -6.573  -2.890   0.532
  340    HD2  TYR  26           HD1      TYR  26  -2.292  -3.261   0.757
  341    HE1  TYR  26           HE2      TYR  26  -6.470  -3.271  -1.924
  342    HE2  TYR  26           HE1      TYR  26  -2.166  -3.616  -1.665
  343    HH   TYR  26           HH       TYR  26  -5.107  -3.597  -3.757
  344    H    THR  27           H        THR  27  -5.813  -6.396   2.606
  345    HA   THR  27           HA       THR  27  -3.375  -7.418   1.226
  346    HB   THR  27           HB       THR  27  -3.756  -9.650   2.270
  347    HG1  THR  27           HG1      THR  27  -5.840  -9.161   3.123
  348   HG21  THR  27          1HG2      THR  27  -2.967  -7.425   4.218
  349   HG22  THR  27          2HG2      THR  27  -2.489  -9.130   4.287
  350   HG23  THR  27          3HG2      THR  27  -1.908  -8.100   2.970
  351    HA   PRO  28           HA       PRO  28  -7.051  -7.707  -1.390
  352    HB2  PRO  28           2HB      PRO  28  -5.870  -7.625  -3.842
  353    HB3  PRO  28           3HB      PRO  28  -5.971  -6.188  -2.772
  354    HG2  PRO  28           2HG      PRO  28  -3.641  -8.106  -3.116
  355    HG3  PRO  28           3HG      PRO  28  -3.609  -6.314  -3.145
  356    HD2  PRO  28           2HD      PRO  28  -3.012  -7.760  -0.913
  357    HD3  PRO  28           3HD      PRO  28  -3.842  -6.175  -0.809
  358    H    LYS  29           H        LYS  29  -7.953  -9.194  -2.987
  359    HA   LYS  29           HA       LYS  29  -7.026 -11.971  -2.834
  360    HB2  LYS  29           2HB      LYS  29  -9.281 -10.524  -4.270
  361    HB3  LYS  29           3HB      LYS  29  -8.858 -12.194  -4.679
  362    HG2  LYS  29           2HG      LYS  29  -9.150 -12.915  -2.385
  363    HG3  LYS  29           3HG      LYS  29  -9.531 -11.257  -1.867
  364    HD2  LYS  29           2HD      LYS  29 -11.528 -11.257  -3.348
  365    HD3  LYS  29           3HD      LYS  29 -11.149 -12.918  -3.857
  366    HE2  LYS  29           2HE      LYS  29 -11.356 -13.682  -1.497
  367    HE3  LYS  29           3HE      LYS  29 -11.734 -12.030  -0.992
  368    HZ1  LYS  29           HZ1      LYS  29 -13.745 -13.345  -1.293
  369    HZ2  LYS  29           HZ2      LYS  29 -13.727 -12.132  -2.385
  370    HZ3  LYS  29           HZ3      LYS  29 -13.377 -13.661  -2.852
  371    H    THR  30           H        THR  30  -5.816 -13.055  -4.184
  372    HA   THR  30           HA       THR  30  -5.265 -12.110  -6.918
  373    HB   THR  30           HB       THR  30  -2.845 -12.739  -6.674
  374    HG1  THR  30           HG1      THR  30  -2.010 -12.843  -4.587
  375   HG21  THR  30          1HG2      THR  30  -3.654 -10.460  -4.819
  376   HG22  THR  30          2HG2      THR  30  -2.106 -10.670  -5.662
  377   HG23  THR  30          3HG2      THR  30  -3.578 -10.351  -6.592
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1 -10.926   5.040   0.568
    2    H2   GLY   1           2H       GLY   1 -12.353   4.274   0.815
    3    H3   GLY   1           3H       GLY   1 -11.753   4.422  -0.703
    4    HA2  GLY   1           HA2      GLY   1 -10.525   2.848   1.468
    5    HA3  GLY   1           HA3      GLY   1 -11.445   2.169   0.113
    6    H    ILE   2           H        ILE   2  -8.616   1.724   0.901
    7    HA   ILE   2           HA       ILE   2  -6.793   3.262  -0.559
    8    HB   ILE   2           HB       ILE   2  -6.293   1.707   1.311
    9   HG12  ILE   2          2HG1      ILE   2  -4.567   1.518  -1.181
   10   HG13  ILE   2          3HG1      ILE   2  -4.541   2.789   0.033
   11   HG21  ILE   2          1HG2      ILE   2  -6.191  -0.515  -0.772
   12   HG22  ILE   2          2HG2      ILE   2  -5.896  -0.634   0.972
   13   HG23  ILE   2          3HG2      ILE   2  -7.524  -0.308   0.391
   14   HD11  ILE   2          3HD1      ILE   2  -3.650  -0.098   0.342
   15   HD12  ILE   2          1HD1      ILE   2  -2.678   1.378   0.476
   16   HD13  ILE   2          2HD1      ILE   2  -3.874   0.988   1.729
   17    H    VAL   3           H        VAL   3  -8.533   0.441  -1.778
   18    HA   VAL   3           HA       VAL   3  -7.069   0.126  -4.199
   19    HB   VAL   3           HB       VAL   3  -9.968  -0.575  -3.602
   20   HG11  VAL   3          1HG1      VAL   3  -8.186  -1.515  -5.897
   21   HG12  VAL   3          2HG1      VAL   3  -9.731  -2.263  -5.444
   22   HG13  VAL   3          3HG1      VAL   3  -9.710  -0.606  -6.035
   23   HG21  VAL   3          3HG2      VAL   3  -9.054  -2.864  -3.246
   24   HG22  VAL   3          1HG2      VAL   3  -7.413  -2.242  -3.512
   25   HG23  VAL   3          2HG2      VAL   3  -8.359  -1.713  -2.105
   26    H    GLU   4           H        GLU   4  -9.577   2.473  -3.351
   27    HA   GLU   4           HA       GLU   4  -9.881   3.492  -6.105
   28    HB2  GLU   4           2HB      GLU   4 -11.731   3.608  -4.424
   29    HB3  GLU   4           3HB      GLU   4 -10.734   4.682  -3.437
   30    HG2  GLU   4           2HG      GLU   4 -10.649   6.284  -5.415
   31    HG3  GLU   4           3HG      GLU   4 -11.816   5.235  -6.227
   32    H    GLN   5           H        GLN   5  -8.241   4.447  -3.030
   33    HA   GLN   5           HA       GLN   5  -6.189   5.892  -4.490
   34    HB2  GLN   5           2HB      GLN   5  -6.605   8.064  -3.371
   35    HB3  GLN   5           3HB      GLN   5  -7.762   7.614  -4.614
   36    HG2  GLN   5           2HG      GLN   5  -9.385   6.914  -2.826
   37    HG3  GLN   5           3HG      GLN   5  -8.253   7.496  -1.605
   38   HE21  GLN   5          2HE2      GLN   5 -11.022   8.406  -3.271
   39   HE22  GLN   5          1HE2      GLN   5 -10.766  10.149  -3.204
   40    H    CYS   6           H        CYS   6  -4.257   5.226  -1.504
   41    HA   CYS   6           HA       CYS   6  -4.257   5.705  -4.434
   42    HB2  CYS   6           2HB      CYS   6  -1.794   5.161  -4.059
   43    HB3  CYS   6           3HB      CYS   6  -2.470   6.756  -3.763
   44    H    CYS   7           H        CYS   7  -4.828   4.121  -5.688
   45    HA   CYS   7           HA       CYS   7  -2.904   1.900  -5.794
   46    HB2  CYS   7           2HB      CYS   7  -5.550   1.384  -5.169
   47    HB3  CYS   7           3HB      CYS   7  -5.534   1.193  -6.921
   48    H    THR   8           H        THR   8  -2.060   1.830  -7.793
   49    HA   THR   8           HA       THR   8  -1.413   2.450  -9.856
   50    HB   THR   8           HB       THR   8  -4.212   3.398 -10.539
   51    HG1  THR   8           HG1      THR   8  -4.529   1.241 -11.178
   52   HG21  THR   8          1HG2      THR   8  -3.548   2.647 -12.810
   53   HG22  THR   8          2HG2      THR   8  -2.428   3.884 -12.233
   54   HG23  THR   8          3HG2      THR   8  -1.945   2.178 -12.203
   55    H    SER   9           H        SER   9  -0.746   3.959  -7.847
   56    HA   SER   9           HA       SER   9  -0.547   6.718  -8.825
   57    HB2  SER   9           2HB      SER   9  -2.709   6.685  -7.556
   58    HB3  SER   9           3HB      SER   9  -1.829   6.099  -6.140
   59    HG   SER   9           HG       SER   9  -2.156   8.456  -6.258
   60    H    ILE  10           H        ILE  10   1.061   7.926  -7.526
   61    HA   ILE  10           HA       ILE  10   3.405   6.316  -7.147
   62    HB   ILE  10           HB       ILE  10   2.879   9.221  -6.404
   63   HG12  ILE  10          2HG1      ILE  10   2.538   8.881  -8.795
   64   HG13  ILE  10          3HG1      ILE  10   3.998   9.802  -8.502
   65   HG21  ILE  10          1HG2      ILE  10   5.381   9.478  -6.585
   66   HG22  ILE  10          2HG2      ILE  10   4.840   8.547  -5.192
   67   HG23  ILE  10          3HG2      ILE  10   5.510   7.705  -6.603
   68   HD11  ILE  10          3HD1      ILE  10   3.871   6.857  -9.277
   69   HD12  ILE  10          1HD1      ILE  10   4.365   8.210 -10.301
   70   HD13  ILE  10          2HD1      ILE  10   5.374   7.747  -8.922
   71    H    CYS  11           H        CYS  11   1.148   7.593  -4.792
   72    HA   CYS  11           HA       CYS  11   0.816   7.096  -2.559
   73    HB2  CYS  11           2HB      CYS  11   0.352   5.105  -4.159
   74    HB3  CYS  11           3HB      CYS  11   1.741   4.356  -3.424
   75    H    SER  12           H        SER  12   2.880   8.468  -2.137
   76    HA   SER  12           HA       SER  12   5.304   7.201  -1.384
   77    HB2  SER  12           2HB      SER  12   4.203   9.893  -0.544
   78    HB3  SER  12           3HB      SER  12   5.909   9.403  -0.495
   79    HG   SER  12           HG       SER  12   5.356  10.646  -2.385
   80    H    LEU  13           H        LEU  13   6.389   7.329   0.738
   81    HA   LEU  13           HA       LEU  13   5.325   5.625   2.577
   82    HB2  LEU  13           2HB      LEU  13   7.163   6.243   4.029
   83    HB3  LEU  13           3HB      LEU  13   7.651   6.114   2.348
   84    HG   LEU  13           HG       LEU  13   7.206   8.826   2.504
   85   HD11  LEU  13          1HD1      LEU  13   8.171   9.686   4.573
   86   HD12  LEU  13          2HD1      LEU  13   6.763   8.703   4.991
   87   HD13  LEU  13          3HD1      LEU  13   8.389   8.041   5.209
   88   HD21  LEU  13          3HD2      LEU  13   9.652   9.051   2.687
   89   HD22  LEU  13          1HD2      LEU  13   9.778   7.362   3.224
   90   HD23  LEU  13          2HD2      LEU  13   9.207   7.741   1.584
   91    H    TYR  14           H        TYR  14   5.057   9.169   2.920
   92    HA   TYR  14           HA       TYR  14   3.886   9.021   5.551
   93    HB2  TYR  14           2HB      TYR  14   3.307  11.449   5.033
   94    HB3  TYR  14           3HB      TYR  14   5.011  11.004   5.005
   95    HD1  TYR  14           HD1      TYR  14   2.074  11.815   2.873
   96    HD2  TYR  14           HD2      TYR  14   6.331  11.165   2.997
   97    HE1  TYR  14           HE1      TYR  14   2.240  12.524   0.501
   98    HE2  TYR  14           HE2      TYR  14   6.527  11.933   0.650
   99    HH   TYR  14           HH       TYR  14   3.664  12.991  -1.264
  100    H    GLN  15           H        GLN  15   2.529   8.679   2.374
  101    HA   GLN  15           HA       GLN  15  -0.278   8.969   3.323
  102    HB2  GLN  15           2HB      GLN  15   1.072   8.578   0.633
  103    HB3  GLN  15           3HB      GLN  15  -0.635   8.200   0.827
  104    HG2  GLN  15           2HG      GLN  15   0.610  10.910   1.387
  105    HG3  GLN  15           3HG      GLN  15  -0.270  10.466  -0.068
  106   HE21  GLN  15          2HE2      GLN  15  -2.647   9.852   0.216
  107   HE22  GLN  15          1HE2      GLN  15  -3.504  10.617   1.543
  108    H    LEU  16           H        LEU  16   2.026   6.422   2.215
  109    HA   LEU  16           HA       LEU  16   0.324   4.190   2.515
  110    HB2  LEU  16           2HB      LEU  16   3.296   4.639   2.844
  111    HB3  LEU  16           3HB      LEU  16   2.608   3.033   3.007
  112    HG   LEU  16           HG       LEU  16   2.304   4.756   0.517
  113   HD11  LEU  16          1HD1      LEU  16   4.258   2.484   1.134
  114   HD12  LEU  16          2HD1      LEU  16   4.021   3.200  -0.467
  115   HD13  LEU  16          3HD1      LEU  16   4.673   4.193   0.842
  116   HD21  LEU  16          3HD2      LEU  16   1.862   1.787   0.976
  117   HD22  LEU  16          1HD2      LEU  16   0.564   2.991   0.771
  118   HD23  LEU  16          2HD2      LEU  16   1.680   2.639  -0.563
  119    H    GLU  17           H        GLU  17   2.194   5.932   4.995
  120    HA   GLU  17           HA       GLU  17   1.802   4.153   7.114
  121    HB2  GLU  17           2HB      GLU  17   3.241   6.260   6.971
  122    HB3  GLU  17           3HB      GLU  17   1.802   7.177   7.420
  123    HG2  GLU  17           2HG      GLU  17   1.632   5.860   9.525
  124    HG3  GLU  17           3HG      GLU  17   3.011   4.877   9.034
  125    H    ASN  18           H        ASN  18  -0.575   6.335   5.686
  126    HA   ASN  18           HA       ASN  18  -2.439   6.405   7.872
  127    HB2  ASN  18           2HB      ASN  18  -2.999   6.533   4.879
  128    HB3  ASN  18           3HB      ASN  18  -4.112   6.995   6.149
  129   HD21  ASN  18          2HD2      ASN  18  -2.948   8.589   3.909
  130   HD22  ASN  18          1HD2      ASN  18  -2.249   9.997   4.685
  131    H    TYR  19           H        TYR  19  -1.631   3.827   5.696
  132    HA   TYR  19           HA       TYR  19  -4.057   2.276   6.483
  133    HB2  TYR  19           2HB      TYR  19  -2.183   1.479   4.280
  134    HB3  TYR  19           3HB      TYR  19  -3.862   1.040   4.510
  135    HD1  TYR  19           HD1      TYR  19  -5.675   2.831   3.989
  136    HD2  TYR  19           HD2      TYR  19  -1.516   3.336   3.040
  137    HE1  TYR  19           HE1      TYR  19  -6.259   4.628   2.361
  138    HE2  TYR  19           HE2      TYR  19  -2.068   5.128   1.424
  139    HH   TYR  19           HH       TYR  19  -5.457   6.118   0.775
  140    H    CYS  20           H        CYS  20  -1.192   2.774   7.786
  141    HA   CYS  20           HA       CYS  20  -0.194   0.038   8.150
  142    HB2  CYS  20           2HB      CYS  20   1.348   1.895   8.148
  143    HB3  CYS  20           3HB      CYS  20   0.484   2.673   9.469
  144    H    ASN  21           H        ASN  21  -0.282  -1.170  10.081
  145    HA   ASN  21           HA       ASN  21  -2.706  -1.065  11.658
  146    HB2  ASN  21           2HB      ASN  21  -0.101  -2.631  11.914
  147    HB3  ASN  21           3HB      ASN  21  -1.442  -2.814  13.039
  148   HD21  ASN  21          1HD2      ASN  21  -0.378  -4.939  11.438
  149   HD22  ASN  21          2HD2      ASN  21  -1.720  -5.482  10.441
  150    H1   PHE   1           H        PHE   1  11.791   0.159  -1.376
  151    HA   PHE   1           HA       PHE   1  10.705  -0.699  -3.858
  152    HB2  PHE   1           2HB      PHE   1   8.451  -0.001  -3.770
  153    HB3  PHE   1           3HB      PHE   1   8.726  -1.109  -2.449
  154    HD1  PHE   1           HD1      PHE   1   9.125  -0.154  -0.117
  155    HD2  PHE   1           HD2      PHE   1   7.593   2.187  -3.372
  156    HE1  PHE   1           HE1      PHE   1   8.166   1.466   1.518
  157    HE2  PHE   1           HE2      PHE   1   6.623   3.818  -1.750
  158    HZ   PHE   1           HZ       PHE   1   6.897   3.440   0.694
  159    H    VAL   2           H        VAL   2   9.812   1.238  -5.143
  160    HA   VAL   2           HA       VAL   2  11.427   3.716  -4.642
  161    HB   VAL   2           HB       VAL   2  11.001   2.279  -7.304
  162   HG11  VAL   2          1HG1      VAL   2  11.160   4.679  -7.718
  163   HG12  VAL   2          2HG1      VAL   2  12.576   4.812  -6.649
  164   HG13  VAL   2          3HG1      VAL   2  12.679   3.929  -8.187
  165   HG21  VAL   2          3HG2      VAL   2  13.467   1.912  -7.261
  166   HG22  VAL   2          1HG2      VAL   2  13.530   2.584  -5.617
  167   HG23  VAL   2          2HG2      VAL   2  12.658   1.068  -5.942
  168    H    ASN   3           H        ASN   3  10.461   5.669  -5.430
  169    HA   ASN   3           HA       ASN   3   7.614   5.859  -5.424
  170    HB2  ASN   3           2HB      ASN   3   7.959   8.168  -6.157
  171    HB3  ASN   3           3HB      ASN   3   8.965   7.737  -4.788
  172   HD21  ASN   3          2HD2      ASN   3   8.989   9.165  -7.905
  173   HD22  ASN   3          1HD2      ASN   3  10.730   9.179  -8.117
  174    H    GLN   4           H        GLN   4   6.275   5.096  -6.847
  175    HA   GLN   4           HA       GLN   4   6.472   5.080  -9.743
  176    HB2  GLN   4           2HB      GLN   4   8.248   3.431  -9.101
  177    HB3  GLN   4           3HB      GLN   4   7.085   2.576  -8.085
  178    HG2  GLN   4           2HG      GLN   4   5.798   1.906 -10.051
  179    HG3  GLN   4           3HG      GLN   4   6.829   2.897 -11.102
  180   HE21  GLN   4          2HE2      GLN   4   6.816  -0.022  -8.967
  181   HE22  GLN   4          1HE2      GLN   4   8.245  -0.721  -9.710
  182    H    HIS   5           H        HIS   5   4.445   4.081 -10.597
  183    HA   HIS   5           HA       HIS   5   2.223   4.447  -8.838
  184    HB2  HIS   5           2HB      HIS   5   2.433   3.243 -11.610
  185    HB3  HIS   5           3HB      HIS   5   0.909   3.510 -10.761
  186    HD2  HIS   5           HD2      HIS   5   3.302   5.299 -12.992
  187    HE1  HIS   5           HE1      HIS   5   0.960   8.380 -11.211
  188    HE2  HIS   5           HE2      HIS   5   2.644   7.847 -13.057
  189    H    LEU   6           H        LEU   6   1.929   3.189  -7.101
  190    HA   LEU   6           HA       LEU   6   2.417   0.270  -7.200
  191    HB2  LEU   6           2HB      LEU   6   1.470   1.971  -4.866
  192    HB3  LEU   6           3HB      LEU   6   2.091   0.328  -4.807
  193    HG   LEU   6           HG       LEU   6   3.662   2.869  -5.349
  194   HD11  LEU   6          1HD1      LEU   6   3.012   2.522  -3.032
  195   HD12  LEU   6          2HD1      LEU   6   3.654   0.873  -3.083
  196   HD13  LEU   6          3HD1      LEU   6   4.755   2.267  -3.218
  197   HD21  LEU   6          3HD2      LEU   6   4.811   0.054  -5.176
  198   HD22  LEU   6          1HD2      LEU   6   4.628   0.963  -6.701
  199   HD23  LEU   6          2HD2      LEU   6   5.699   1.563  -5.429
  200    H    CYS   7           H        CYS   7   0.874  -1.280  -7.146
  201    HA   CYS   7           HA       CYS   7  -1.669  -0.921  -5.879
  202    HB2  CYS   7           2HB      CYS   7  -2.047   0.037  -8.238
  203    HB3  CYS   7           3HB      CYS   7  -1.852  -1.591  -8.830
  204    H    GLY   8           H        GLY   8  -2.630  -2.997  -5.378
  205    HA2  GLY   8           HA2      GLY   8  -2.614  -5.283  -4.970
  206    HA3  GLY   8           HA3      GLY   8  -1.774  -5.479  -6.518
  207    H    SER   9           H        SER   9   0.073  -6.590  -6.273
  208    HA   SER   9           HA       SER   9   1.362  -7.205  -3.826
  209    HB2  SER   9           2HB      SER   9   3.225  -7.972  -5.329
  210    HB3  SER   9           3HB      SER   9   1.629  -8.635  -5.705
  211    HG   SER   9           HG       SER   9   2.736  -7.931  -7.603
  212    H    HIS  10           H        HIS  10   2.529  -4.898  -6.339
  213    HA   HIS  10           HA       HIS  10   4.691  -3.718  -5.058
  214    HB2  HIS  10           2HB      HIS  10   2.510  -2.634  -6.875
  215    HB3  HIS  10           3HB      HIS  10   3.748  -1.565  -6.251
  216    HD2  HIS  10           HD2      HIS  10   4.842  -5.091  -7.263
  217    HE1  HIS  10           HE1      HIS  10   6.197  -2.429 -10.295
  218    HE2  HIS  10           HE2      HIS  10   6.308  -4.828  -9.435
  219    H    LEU  11           H        LEU  11   1.275  -2.884  -4.517
  220    HA   LEU  11           HA       LEU  11   1.826  -0.739  -2.630
  221    HB2  LEU  11           2HB      LEU  11  -0.113  -0.808  -4.139
  222    HB3  LEU  11           3HB      LEU  11  -0.718  -2.259  -3.345
  223    HG   LEU  11           HG       LEU  11  -1.131  -0.979  -1.283
  224   HD11  LEU  11          1HD1      LEU  11  -0.130   1.422  -2.880
  225   HD12  LEU  11          2HD1      LEU  11  -0.968   1.505  -1.315
  226   HD13  LEU  11          3HD1      LEU  11   0.617   0.732  -1.421
  227   HD21  LEU  11          3HD2      LEU  11  -2.272   0.326  -3.789
  228   HD22  LEU  11          1HD2      LEU  11  -2.849  -1.192  -3.070
  229   HD23  LEU  11          2HD2      LEU  11  -3.008   0.320  -2.174
  230    H    VAL  12           H        VAL  12   0.799  -4.157  -2.279
  231    HA   VAL  12           HA       VAL  12   0.689  -4.178   0.580
  232    HB   VAL  12           HB       VAL  12   1.298  -6.381  -1.444
  233   HG11  VAL  12          1HG1      VAL  12   0.778  -8.055   0.313
  234   HG12  VAL  12          2HG1      VAL  12   2.270  -7.182   0.651
  235   HG13  VAL  12          3HG1      VAL  12   0.783  -6.769   1.533
  236   HG21  VAL  12          3HG2      VAL  12  -1.015  -5.404  -1.487
  237   HG22  VAL  12          1HG2      VAL  12  -0.968  -7.118  -1.079
  238   HG23  VAL  12          2HG2      VAL  12  -1.219  -5.903   0.192
  239    H    GLU  13           H        GLU  13   3.427  -4.912  -1.604
  240    HA   GLU  13           HA       GLU  13   5.360  -5.570   0.386
  241    HB2  GLU  13           2HB      GLU  13   5.657  -4.309  -2.371
  242    HB3  GLU  13           3HB      GLU  13   7.012  -4.891  -1.409
  243    HG2  GLU  13           2HG      GLU  13   4.721  -6.744  -2.178
  244    HG3  GLU  13           3HG      GLU  13   6.043  -6.398  -3.273
  245    H    ALA  14           H        ALA  14   4.600  -2.411  -1.163
  246    HA   ALA  14           HA       ALA  14   6.527  -0.856   0.237
  247    HB1  ALA  14           3HB      ALA  14   5.129   1.030  -0.537
  248    HB2  ALA  14           1HB      ALA  14   5.347  -0.153  -1.830
  249    HB3  ALA  14           2HB      ALA  14   3.809  -0.085  -0.927
  250    H    LEU  15           H        LEU  15   3.045  -1.403   0.970
  251    HA   LEU  15           HA       LEU  15   2.910   0.095   3.361
  252    HB2  LEU  15           2HB      LEU  15   1.455  -2.369   2.335
  253    HB3  LEU  15           3HB      LEU  15   1.054  -1.639   3.904
  254    HG   LEU  15           HG       LEU  15   0.921  -0.152   1.285
  255   HD11  LEU  15          1HD1      LEU  15  -0.583  -2.073   1.296
  256   HD12  LEU  15          2HD1      LEU  15  -1.298  -1.533   2.836
  257   HD13  LEU  15          3HD1      LEU  15  -1.483  -0.553   1.363
  258   HD21  LEU  15          3HD2      LEU  15  -0.204   0.433   4.060
  259   HD22  LEU  15          1HD2      LEU  15   1.113   1.314   3.273
  260   HD23  LEU  15          2HD2      LEU  15  -0.513   1.392   2.588
  261    H    TYR  16           H        TYR  16   3.841  -3.323   2.942
  262    HA   TYR  16           HA       TYR  16   4.266  -3.900   5.726
  263    HB2  TYR  16           2HB      TYR  16   3.937  -5.660   4.160
  264    HB3  TYR  16           3HB      TYR  16   5.186  -5.063   3.081
  265    HD1  TYR  16           HD2      TYR  16   4.602  -6.787   6.326
  266    HD2  TYR  16           HD1      TYR  16   7.476  -5.588   3.348
  267    HE1  TYR  16           HE2      TYR  16   6.306  -8.252   7.391
  268    HE2  TYR  16           HE1      TYR  16   9.212  -6.978   4.445
  269    HH   TYR  16           HH       TYR  16   8.479  -9.042   7.308
  270    H    LEU  17           H        LEU  17   6.499  -2.590   3.239
  271    HA   LEU  17           HA       LEU  17   8.786  -2.489   5.011
  272    HB2  LEU  17           2HB      LEU  17   8.115  -1.702   2.238
  273    HB3  LEU  17           3HB      LEU  17   9.123  -0.509   3.033
  274    HG   LEU  17           HG       LEU  17  10.792  -2.227   3.602
  275   HD11  LEU  17          1HD1      LEU  17  10.680  -4.472   2.520
  276   HD12  LEU  17          2HD1      LEU  17   9.417  -4.253   3.733
  277   HD13  LEU  17          3HD1      LEU  17   9.015  -4.126   2.004
  278   HD21  LEU  17          3HD2      LEU  17  10.962  -0.932   1.494
  279   HD22  LEU  17          1HD2      LEU  17  11.655  -2.553   1.328
  280   HD23  LEU  17          2HD2      LEU  17  10.053  -2.205   0.644
  281    H    VAL  18           H        VAL  18   6.384   0.006   4.072
  282    HA   VAL  18           HA       VAL  18   7.499   2.122   5.662
  283    HB   VAL  18           HB       VAL  18   4.650   1.654   4.689
  284   HG11  VAL  18          1HG1      VAL  18   4.466   3.211   6.590
  285   HG12  VAL  18          2HG1      VAL  18   5.800   4.195   5.937
  286   HG13  VAL  18          3HG1      VAL  18   4.254   4.075   5.074
  287   HG21  VAL  18          3HG2      VAL  18   5.266   3.374   3.043
  288   HG22  VAL  18          1HG2      VAL  18   6.903   3.469   3.723
  289   HG23  VAL  18          2HG2      VAL  18   6.335   1.982   2.938
  290    H    CYS  19           H        CYS  19   4.794  -0.100   6.367
  291    HA   CYS  19           HA       CYS  19   4.353   0.852   9.044
  292    HB2  CYS  19           2HB      CYS  19   2.779  -0.403   7.440
  293    HB3  CYS  19           3HB      CYS  19   3.599  -1.872   7.935
  294    H    GLY  20           H        GLY  20   6.671  -1.398   7.787
  295    HA2  GLY  20           HA2      GLY  20   8.732  -1.758   8.790
  296    HA3  GLY  20           HA3      GLY  20   8.088  -1.188  10.349
  297    H    GLU  21           H        GLU  21   7.167  -3.838   8.159
  298    HA   GLU  21           HA       GLU  21   6.997  -6.062   8.351
  299    HB2  GLU  21           2HB      GLU  21   8.510  -6.016  10.987
  300    HB3  GLU  21           3HB      GLU  21   8.186  -7.401   9.959
  301    HG2  GLU  21           2HG      GLU  21   9.566  -6.415   8.149
  302    HG3  GLU  21           3HG      GLU  21   9.928  -5.028   9.174
  303    H    ARG  22           H        ARG  22   5.546  -3.962  10.345
  304    HA   ARG  22           HA       ARG  22   4.052  -5.765  12.140
  305    HB2  ARG  22           2HB      ARG  22   4.171  -2.771  11.740
  306    HB3  ARG  22           3HB      ARG  22   3.155  -3.551  12.953
  307    HG2  ARG  22           2HG      ARG  22   5.003  -4.352  14.203
  308    HG3  ARG  22           3HG      ARG  22   6.154  -4.028  12.904
  309    HD2  ARG  22           2HD      ARG  22   6.346  -2.381  14.678
  310    HD3  ARG  22           3HD      ARG  22   5.893  -1.631  13.151
  311    HE   ARG  22           HE       ARG  22   4.196  -1.986  15.575
  312   HH11  ARG  22          1HH1      ARG  22   4.393  -0.585  12.300
  313   HH12  ARG  22          2HH1      ARG  22   2.875   0.243  12.504
  314   HH21  ARG  22          1HH2      ARG  22   2.254  -0.886  15.711
  315   HH22  ARG  22          2HH2      ARG  22   1.647  -0.010  14.335
  316    H    GLY  23           H        GLY  23   3.542  -4.557   8.978
  317    HA2  GLY  23           HA2      GLY  23   0.696  -3.817   9.280
  318    HA3  GLY  23           HA3      GLY  23   1.754  -3.530   7.877
  319    H    HIS  24           H        HIS  24  -0.525  -6.354   7.027
  320    HA   HIS  24           HA       HIS  24  -1.397  -3.962   8.408
  321    HB2  HIS  24           2HB      HIS  24  -1.672  -2.623   6.263
  322    HB3  HIS  24           3HB      HIS  24  -0.043  -2.725   6.888
  323    HD2  HIS  24           HD2      HIS  24   1.789  -3.822   5.377
  324    HE1  HIS  24           HE1      HIS  24  -0.667  -5.070   2.158
  325    HE2  HIS  24           HE2      HIS  24   1.728  -4.875   2.975
  326    H    PHE  25           H        PHE  25  -3.597  -3.233   7.488
  327    HA   PHE  25           HA       PHE  25  -5.232  -5.618   7.367
  328    HB2  PHE  25           2HB      PHE  25  -7.104  -4.081   7.555
  329    HB3  PHE  25           3HB      PHE  25  -5.868  -3.776   8.754
  330    HD1  PHE  25           HD1      PHE  25  -7.240  -2.532   5.490
  331    HD2  PHE  25           HD2      PHE  25  -4.937  -1.588   9.021
  332    HE1  PHE  25           HE1      PHE  25  -7.301  -0.127   4.890
  333    HE2  PHE  25           HE2      PHE  25  -5.037   0.817   8.433
  334    HZ   PHE  25           HZ       PHE  25  -6.232   1.555   6.375
  335    H    TYR  26           H        TYR  26  -3.935  -3.646   4.820
  336    HA   TYR  26           HA       TYR  26  -5.977  -4.471   2.854
  337    HB2  TYR  26           2HB      TYR  26  -5.096  -2.279   2.585
  338    HB3  TYR  26           3HB      TYR  26  -3.437  -2.855   2.657
  339    HD1  TYR  26           HD1      TYR  26  -6.573  -3.484   0.608
  340    HD2  TYR  26           HD2      TYR  26  -2.285  -3.166   0.663
  341    HE1  TYR  26           HE1      TYR  26  -6.511  -3.814  -1.853
  342    HE2  TYR  26           HE2      TYR  26  -2.208  -3.397  -1.790
  343    HH   TYR  26           HH       TYR  26  -5.197  -3.856  -3.751
  344    H    THR  27           H        THR  27  -5.804  -6.765   3.139
  345    HA   THR  27           HA       THR  27  -3.447  -7.989   1.733
  346    HB   THR  27           HB       THR  27  -4.113 -10.101   2.866
  347    HG1  THR  27           HG1      THR  27  -6.199  -9.462   3.515
  348   HG21  THR  27          1HG2      THR  27  -3.002  -9.456   4.980
  349   HG22  THR  27          2HG2      THR  27  -2.195  -8.701   3.596
  350   HG23  THR  27          3HG2      THR  27  -3.266  -7.738   4.618
  351    HA   PRO  28           HA       PRO  28  -6.964  -8.222  -1.209
  352    HB2  PRO  28           2HB      PRO  28  -5.584  -7.853  -3.526
  353    HB3  PRO  28           3HB      PRO  28  -5.961  -6.505  -2.410
  354    HG2  PRO  28           2HG      PRO  28  -3.392  -8.130  -2.546
  355    HG3  PRO  28           3HG      PRO  28  -3.562  -6.347  -2.588
  356    HD2  PRO  28           2HD      PRO  28  -3.029  -7.667  -0.289
  357    HD3  PRO  28           3HD      PRO  28  -4.143  -6.264  -0.296
  358    H    LYS  29           H        LYS  29  -7.430  -9.715  -3.015
  359    HA   LYS  29           HA       LYS  29  -6.384 -12.379  -2.503
  360    HB2  LYS  29           2HB      LYS  29  -8.236 -13.133  -3.887
  361    HB3  LYS  29           3HB      LYS  29  -8.785 -11.955  -2.701
  362    HG2  LYS  29           2HG      LYS  29  -8.819 -10.184  -4.450
  363    HG3  LYS  29           3HG      LYS  29  -8.237 -11.357  -5.647
  364    HD2  LYS  29           2HD      LYS  29 -10.283 -12.734  -5.280
  365    HD3  LYS  29           3HD      LYS  29 -10.829 -11.583  -4.058
  366    HE2  LYS  29           2HE      LYS  29 -12.033 -11.088  -6.058
  367    HE3  LYS  29           3HE      LYS  29 -10.878  -9.778  -5.797
  368    HZ1  LYS  29           HZ1      LYS  29  -9.443 -10.810  -7.478
  369    HZ2  LYS  29           HZ2      LYS  29 -10.505 -12.038  -7.691
  370    HZ3  LYS  29           HZ3      LYS  29 -10.919 -10.517  -8.112
  371    H    THR  30           H        THR  30  -4.598 -10.509  -3.782
  372    HA   THR  30           HA       THR  30  -4.049 -11.070  -6.532
  373    HB   THR  30           HB       THR  30  -2.101 -10.206  -4.364
  374    HG1  THR  30           HG1      THR  30  -2.707  -8.131  -5.074
  375   HG21  THR  30          1HG2      THR  30  -0.946  -9.053  -6.243
  376   HG22  THR  30          2HG2      THR  30  -0.946 -10.805  -6.466
  377   HG23  THR  30          3HG2      THR  30  -2.080  -9.797  -7.394
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1 -12.654   2.953   0.281
    2    H2   GLY   1           2H       GLY   1 -11.938   3.326  -1.145
    3    H3   GLY   1           3H       GLY   1 -11.551   4.168   0.213
    4    HA2  GLY   1           HA2      GLY   1 -10.627   2.148   1.215
    5    HA3  GLY   1           HA3      GLY   1 -10.957   1.330  -0.326
    6    H    ILE   2           H        ILE   2  -8.499   1.059   0.275
    7    HA   ILE   2           HA       ILE   2  -6.791   3.358  -0.400
    8    HB   ILE   2           HB       ILE   2  -6.283   1.954   1.491
    9   HG12  ILE   2          2HG1      ILE   2  -4.187   1.895  -0.720
   10   HG13  ILE   2          3HG1      ILE   2  -4.499   3.188   0.441
   11   HG21  ILE   2          1HG2      ILE   2  -5.565  -0.318   1.415
   12   HG22  ILE   2          2HG2      ILE   2  -7.096  -0.266   0.565
   13   HG23  ILE   2          3HG2      ILE   2  -5.574  -0.361  -0.353
   14   HD11  ILE   2          3HD1      ILE   2  -3.361   0.429   0.966
   15   HD12  ILE   2          1HD1      ILE   2  -2.575   2.003   1.215
   16   HD13  ILE   2          2HD1      ILE   2  -3.912   1.488   2.272
   17    H    VAL   3           H        VAL   3  -7.179   0.098  -1.894
   18    HA   VAL   3           HA       VAL   3  -5.118   0.602  -3.757
   19    HB   VAL   3           HB       VAL   3  -5.903  -1.630  -3.049
   20   HG11  VAL   3          1HG1      VAL   3  -8.348  -1.355  -3.379
   21   HG12  VAL   3          2HG1      VAL   3  -8.099  -1.329  -5.139
   22   HG13  VAL   3          3HG1      VAL   3  -7.704  -2.783  -4.204
   23   HG21  VAL   3          3HG2      VAL   3  -5.711  -1.324  -6.074
   24   HG22  VAL   3          1HG2      VAL   3  -4.334  -1.319  -4.951
   25   HG23  VAL   3          2HG2      VAL   3  -5.338  -2.769  -5.122
   26    H    GLU   4           H        GLU   4  -8.537   1.377  -4.019
   27    HA   GLU   4           HA       GLU   4  -8.562   1.985  -6.830
   28    HB2  GLU   4           2HB      GLU   4 -10.655   3.048  -6.424
   29    HB3  GLU   4           3HB      GLU   4 -10.582   1.590  -5.434
   30    HG2  GLU   4           2HG      GLU   4  -9.893   3.045  -3.477
   31    HG3  GLU   4           3HG      GLU   4 -10.172   4.464  -4.489
   32    H    GLN   5           H        GLN   5  -6.995   3.612  -4.222
   33    HA   GLN   5           HA       GLN   5  -6.812   6.190  -5.722
   34    HB2  GLN   5           2HB      GLN   5  -5.842   5.426  -2.928
   35    HB3  GLN   5           3HB      GLN   5  -5.653   6.998  -3.701
   36    HG2  GLN   5           2HG      GLN   5  -8.106   7.286  -3.792
   37    HG3  GLN   5           3HG      GLN   5  -8.340   5.689  -3.076
   38   HE21  GLN   5          2HE2      GLN   5  -8.358   5.522  -0.817
   39   HE22  GLN   5          1HE2      GLN   5  -7.872   6.846   0.242
   40    H    CYS   6           H        CYS   6  -4.599   3.805  -4.093
   41    HA   CYS   6           HA       CYS   6  -2.276   4.889  -5.371
   42    HB2  CYS   6           2HB      CYS   6  -2.642   2.148  -4.119
   43    HB3  CYS   6           3HB      CYS   6  -1.115   2.975  -4.427
   44    H    CYS   7           H        CYS   7  -4.509   2.472  -6.522
   45    HA   CYS   7           HA       CYS   7  -2.820   2.028  -8.948
   46    HB2  CYS   7           2HB      CYS   7  -3.749   0.084  -7.545
   47    HB3  CYS   7           3HB      CYS   7  -5.310   0.489  -8.246
   48    H    THR   8           H        THR   8  -5.015   4.494 -10.479
   49    HA   THR   8           HA       THR   8  -2.215   3.823  -9.633
   50    HB   THR   8           HB       THR   8  -1.588   5.022 -11.731
   51    HG1  THR   8           HG1      THR   8  -3.618   6.026 -12.078
   52   HG21  THR   8          1HG2      THR   8  -3.280   2.507 -12.102
   53   HG22  THR   8          2HG2      THR   8  -1.996   3.099 -13.178
   54   HG23  THR   8          3HG2      THR   8  -1.592   2.536 -11.549
   55    H    SER   9           H        SER   9  -1.490   5.096  -8.143
   56    HA   SER   9           HA       SER   9  -1.083   7.871  -8.719
   57    HB2  SER   9           2HB      SER   9  -3.349   7.972  -7.600
   58    HB3  SER   9           3HB      SER   9  -2.574   7.335  -6.134
   59    HG   SER   9           HG       SER   9  -2.691   9.680  -6.236
   60    H    ILE  10           H        ILE  10   0.297   8.857  -6.939
   61    HA   ILE  10           HA       ILE  10   2.598   7.134  -6.949
   62    HB   ILE  10           HB       ILE  10   2.091   9.966  -5.983
   63   HG12  ILE  10          2HG1      ILE  10   1.909   9.669  -8.413
   64   HG13  ILE  10          3HG1      ILE  10   3.305  10.640  -7.992
   65   HG21  ILE  10          1HG2      ILE  10   3.975   9.301  -4.677
   66   HG22  ILE  10          2HG2      ILE  10   4.772   8.552  -6.074
   67   HG23  ILE  10          3HG2      ILE  10   4.567  10.315  -5.991
   68   HD11  ILE  10          3HD1      ILE  10   3.918   9.145  -9.779
   69   HD12  ILE  10          1HD1      ILE  10   4.768   8.594  -8.324
   70   HD13  ILE  10          2HD1      ILE  10   3.321   7.734  -8.903
   71    H    CYS  11           H        CYS  11   0.412   7.781  -4.370
   72    HA   CYS  11           HA       CYS  11   0.634   7.501  -2.036
   73    HB2  CYS  11           2HB      CYS  11   0.696   4.830  -3.429
   74    HB3  CYS  11           3HB      CYS  11   0.504   4.984  -1.680
   75    H    SER  12           H        SER  12   2.642   8.593  -1.619
   76    HA   SER  12           HA       SER  12   5.121   7.080  -1.436
   77    HB2  SER  12           2HB      SER  12   4.353   9.799  -0.346
   78    HB3  SER  12           3HB      SER  12   6.008   9.167  -0.463
   79    HG   SER  12           HG       SER  12   5.332  10.590  -2.227
   80    H    LEU  13           H        LEU  13   6.463   7.143   0.632
   81    HA   LEU  13           HA       LEU  13   5.462   5.449   2.547
   82    HB2  LEU  13           2HB      LEU  13   7.410   6.007   3.876
   83    HB3  LEU  13           3HB      LEU  13   7.795   5.872   2.168
   84    HG   LEU  13           HG       LEU  13   7.426   8.601   2.383
   85   HD11  LEU  13          1HD1      LEU  13   8.780   7.723   4.977
   86   HD12  LEU  13          2HD1      LEU  13   8.576   9.388   4.395
   87   HD13  LEU  13          3HD1      LEU  13   7.165   8.442   4.890
   88   HD21  LEU  13          3HD2      LEU  13   9.317   7.482   1.291
   89   HD22  LEU  13          1HD2      LEU  13   9.882   8.761   2.377
   90   HD23  LEU  13          2HD2      LEU  13  10.005   7.059   2.876
   91    H    TYR  14           H        TYR  14   5.372   9.005   2.892
   92    HA   TYR  14           HA       TYR  14   4.315   8.908   5.570
   93    HB2  TYR  14           2HB      TYR  14   3.835  11.362   5.072
   94    HB3  TYR  14           3HB      TYR  14   5.514  10.831   4.990
   95    HD1  TYR  14           HD1      TYR  14   2.545  11.777   2.962
   96    HD2  TYR  14           HD2      TYR  14   6.778  10.979   2.945
   97    HE1  TYR  14           HE1      TYR  14   2.662  12.504   0.590
   98    HE2  TYR  14           HE2      TYR  14   6.932  11.789   0.609
   99    HH   TYR  14           HH       TYR  14   5.796  12.718  -1.178
  100    H    GLN  15           H        GLN  15   2.793   8.632   2.484
  101    HA   GLN  15           HA       GLN  15   0.019   9.168   3.451
  102    HB2  GLN  15           2HB      GLN  15   1.336   8.379   0.829
  103    HB3  GLN  15           3HB      GLN  15  -0.412   8.299   1.027
  104    HG2  GLN  15           2HG      GLN  15  -0.603  10.648   1.369
  105    HG3  GLN  15           3HG      GLN  15   1.138  10.854   1.473
  106   HE21  GLN  15          2HE2      GLN  15  -0.979  11.969  -0.498
  107   HE22  GLN  15          1HE2      GLN  15  -0.264  11.589  -2.057
  108    H    LEU  16           H        LEU  16   2.076   6.410   2.356
  109    HA   LEU  16           HA       LEU  16   0.213   4.336   2.827
  110    HB2  LEU  16           2HB      LEU  16   3.222   4.546   2.799
  111    HB3  LEU  16           3HB      LEU  16   2.433   2.989   3.003
  112    HG   LEU  16           HG       LEU  16   2.033   4.804   0.584
  113   HD11  LEU  16          1HD1      LEU  16   3.820   2.361   1.022
  114   HD12  LEU  16          2HD1      LEU  16   3.500   3.107  -0.560
  115   HD13  LEU  16          3HD1      LEU  16   4.338   4.034   0.696
  116   HD21  LEU  16          3HD2      LEU  16   0.151   3.201   0.992
  117   HD22  LEU  16          1HD2      LEU  16   1.074   2.820  -0.475
  118   HD23  LEU  16          2HD2      LEU  16   1.339   1.874   1.000
  119    H    GLU  17           H        GLU  17   2.461   5.904   5.110
  120    HA   GLU  17           HA       GLU  17   2.285   4.065   7.206
  121    HB2  GLU  17           2HB      GLU  17   3.758   6.119   6.984
  122    HB3  GLU  17           3HB      GLU  17   2.398   7.087   7.556
  123    HG2  GLU  17           2HG      GLU  17   2.376   5.792   9.678
  124    HG3  GLU  17           3HG      GLU  17   3.658   4.745   9.066
  125    H    ASN  18           H        ASN  18  -0.173   6.339   6.153
  126    HA   ASN  18           HA       ASN  18  -1.791   6.372   8.521
  127    HB2  ASN  18           2HB      ASN  18  -2.523   6.750   5.586
  128    HB3  ASN  18           3HB      ASN  18  -3.602   7.074   6.916
  129   HD21  ASN  18          2HD2      ASN  18  -0.961   8.287   5.097
  130   HD22  ASN  18          1HD2      ASN  18  -0.722   9.787   5.997
  131    H    TYR  19           H        TYR  19  -1.273   3.800   6.263
  132    HA   TYR  19           HA       TYR  19  -3.683   2.340   7.252
  133    HB2  TYR  19           2HB      TYR  19  -2.000   1.559   4.885
  134    HB3  TYR  19           3HB      TYR  19  -3.636   1.056   5.270
  135    HD1  TYR  19           HD2      TYR  19  -5.557   2.739   4.922
  136    HD2  TYR  19           HD1      TYR  19  -1.522   3.492   3.659
  137    HE1  TYR  19           HE2      TYR  19  -6.361   4.566   3.431
  138    HE2  TYR  19           HE1      TYR  19  -2.284   5.327   2.188
  139    HH   TYR  19           HH       TYR  19  -4.123   6.511   1.407
  140    H    CYS  20           H        CYS  20  -0.686   2.720   8.274
  141    HA   CYS  20           HA       CYS  20   0.312  -0.013   8.561
  142    HB2  CYS  20           2HB      CYS  20   1.782   1.939   8.496
  143    HB3  CYS  20           3HB      CYS  20   1.000   2.608   9.925
  144    H    ASN  21           H        ASN  21   0.053  -1.418  10.307
  145    HA   ASN  21           HA       ASN  21  -2.220  -1.122  12.052
  146    HB2  ASN  21           2HB      ASN  21   0.155  -3.022  12.067
  147    HB3  ASN  21           3HB      ASN  21  -1.133  -3.105  13.256
  148   HD21  ASN  21          1HD2      ASN  21  -0.549  -5.286  11.650
  149   HD22  ASN  21          2HD2      ASN  21  -1.950  -5.571  10.622
  150    H1   PHE   1           H        PHE   1  11.196  -0.517  -2.174
  151    HA   PHE   1           HA       PHE   1  10.023  -0.766  -4.233
  152    HB2  PHE   1           2HB      PHE   1   7.668  -0.518  -3.682
  153    HB3  PHE   1           3HB      PHE   1   8.576  -1.224  -2.361
  154    HD1  PHE   1           HD2      PHE   1   6.761   1.775  -3.514
  155    HD2  PHE   1           HD1      PHE   1   8.950  -0.010  -0.289
  156    HE1  PHE   1           HE2      PHE   1   5.860   3.510  -1.953
  157    HE2  PHE   1           HE1      PHE   1   8.041   1.688   1.290
  158    HZ   PHE   1           HZ       PHE   1   6.472   3.430   0.460
  159    H    VAL   2           H        VAL   2  10.406   2.456  -3.217
  160    HA   VAL   2           HA       VAL   2  10.623   4.433  -4.284
  161    HB   VAL   2           HB       VAL   2  10.045   3.039  -6.937
  162   HG11  VAL   2          1HG1      VAL   2  11.357   4.926  -7.900
  163   HG12  VAL   2          2HG1      VAL   2   9.829   5.439  -7.197
  164   HG13  VAL   2          3HG1      VAL   2  11.347   5.717  -6.308
  165   HG21  VAL   2          3HG2      VAL   2  12.006   1.997  -5.834
  166   HG22  VAL   2          1HG2      VAL   2  12.518   2.990  -7.197
  167   HG23  VAL   2          2HG2      VAL   2  12.703   3.604  -5.540
  168    H    ASN   3           H        ASN   3   9.361   6.220  -4.668
  169    HA   ASN   3           HA       ASN   3   6.456   5.995  -4.488
  170    HB2  ASN   3           2HB      ASN   3   8.205   8.410  -5.057
  171    HB3  ASN   3           3HB      ASN   3   6.525   8.432  -4.534
  172   HD21  ASN   3          2HD2      ASN   3   9.160   9.450  -3.290
  173   HD22  ASN   3          1HD2      ASN   3   9.121   8.785  -1.668
  174    H    GLN   4           H        GLN   4   5.245   5.354  -6.132
  175    HA   GLN   4           HA       GLN   4   5.377   6.378  -8.831
  176    HB2  GLN   4           2HB      GLN   4   6.063   4.413  -9.981
  177    HB3  GLN   4           3HB      GLN   4   7.335   4.799  -8.833
  178    HG2  GLN   4           2HG      GLN   4   6.448   3.025  -7.294
  179    HG3  GLN   4           3HG      GLN   4   5.216   2.622  -8.476
  180   HE21  GLN   4          2HE2      GLN   4   8.218   1.593  -7.380
  181   HE22  GLN   4          1HE2      GLN   4   8.761   0.849  -8.876
  182    H    HIS   5           H        HIS   5   3.773   4.893 -10.240
  183    HA   HIS   5           HA       HIS   5   1.291   4.639  -8.770
  184    HB2  HIS   5           2HB      HIS   5   2.031   3.752 -11.576
  185    HB3  HIS   5           3HB      HIS   5   0.400   3.849 -10.910
  186    HD2  HIS   5           HD2      HIS   5   3.053   5.963 -12.559
  187    HE1  HIS   5           HE1      HIS   5   0.145   8.752 -11.189
  188    HE2  HIS   5           HE2      HIS   5   2.222   8.457 -12.636
  189    H    LEU   6           H        LEU   6   0.368   2.897  -7.805
  190    HA   LEU   6           HA       LEU   6   2.163   0.530  -7.413
  191    HB2  LEU   6           2HB      LEU   6   2.996   2.409  -6.333
  192    HB3  LEU   6           3HB      LEU   6   1.457   2.903  -5.660
  193    HG   LEU   6           HG       LEU   6   2.678   0.300  -4.732
  194   HD11  LEU   6          1HD1      LEU   6   4.049   1.603  -3.090
  195   HD12  LEU   6          2HD1      LEU   6   4.577   1.915  -4.746
  196   HD13  LEU   6          3HD1      LEU   6   3.580   3.109  -3.892
  197   HD21  LEU   6          3HD2      LEU   6   0.517   0.967  -3.794
  198   HD22  LEU   6          1HD2      LEU   6   1.768   1.124  -2.550
  199   HD23  LEU   6          2HD2      LEU   6   1.152   2.567  -3.362
  200    H    CYS   7           H        CYS   7   0.911  -1.139  -7.749
  201    HA   CYS   7           HA       CYS   7  -1.929  -1.183  -6.779
  202    HB2  CYS   7           2HB      CYS   7  -0.603  -2.499  -9.182
  203    HB3  CYS   7           3HB      CYS   7  -2.307  -2.611  -8.778
  204    H    GLY   8           H        GLY   8  -2.702  -3.006  -5.748
  205    HA2  GLY   8           HA2      GLY   8  -2.837  -5.132  -4.837
  206    HA3  GLY   8           HA3      GLY   8  -2.037  -5.597  -6.336
  207    H    SER   9           H        SER   9  -0.268  -6.794  -6.090
  208    HA   SER   9           HA       SER   9   1.047  -7.434  -3.689
  209    HB2  SER   9           2HB      SER   9   2.231  -7.394  -6.492
  210    HB3  SER   9           3HB      SER   9   2.815  -8.331  -5.104
  211    HG   SER   9           HG       SER   9   1.487  -9.597  -6.514
  212    H    HIS  10           H        HIS  10   2.042  -4.920  -6.108
  213    HA   HIS  10           HA       HIS  10   4.348  -4.003  -4.739
  214    HB2  HIS  10           2HB      HIS  10   3.336  -3.433  -7.133
  215    HB3  HIS  10           3HB      HIS  10   2.556  -2.106  -6.255
  216    HD2  HIS  10           HD2      HIS  10   5.983  -3.317  -7.456
  217    HE1  HIS  10           HE1      HIS  10   6.533   0.605  -5.892
  218    HE2  HIS  10           HE2      HIS  10   7.657  -1.302  -7.163
  219    H    LEU  11           H        LEU  11   0.919  -3.118  -4.313
  220    HA   LEU  11           HA       LEU  11   1.409  -1.034  -2.360
  221    HB2  LEU  11           2HB      LEU  11  -0.627  -1.057  -3.703
  222    HB3  LEU  11           3HB      LEU  11  -1.090  -2.622  -3.060
  223    HG   LEU  11           HG       LEU  11  -1.449  -1.694  -0.841
  224   HD11  LEU  11          1HD1      LEU  11  -1.371   0.671  -0.339
  225   HD12  LEU  11          2HD1      LEU  11   0.227   0.190  -0.887
  226   HD13  LEU  11          3HD1      LEU  11  -0.868   1.070  -1.980
  227   HD21  LEU  11          3HD2      LEU  11  -3.264  -1.682  -2.559
  228   HD22  LEU  11          1HD2      LEU  11  -3.440  -0.377  -1.377
  229   HD23  LEU  11          2HD2      LEU  11  -2.815  -0.027  -3.003
  230    H    VAL  12           H        VAL  12   0.609  -4.520  -2.022
  231    HA   VAL  12           HA       VAL  12   0.688  -4.522   0.856
  232    HB   VAL  12           HB       VAL  12   1.342  -6.739  -1.155
  233   HG11  VAL  12          1HG1      VAL  12   0.971  -7.061   1.854
  234   HG12  VAL  12          2HG1      VAL  12   1.016  -8.383   0.675
  235   HG13  VAL  12          3HG1      VAL  12   2.448  -7.393   0.926
  236   HG21  VAL  12          3HG2      VAL  12  -0.994  -6.040  -1.245
  237   HG22  VAL  12          1HG2      VAL  12  -0.866  -7.645  -0.543
  238   HG23  VAL  12          2HG2      VAL  12  -1.157  -6.242   0.512
  239    H    GLU  13           H        GLU  13   3.290  -5.126  -1.515
  240    HA   GLU  13           HA       GLU  13   5.417  -5.607   0.312
  241    HB2  GLU  13           2HB      GLU  13   5.394  -4.366  -2.471
  242    HB3  GLU  13           3HB      GLU  13   6.862  -4.832  -1.625
  243    HG2  GLU  13           2HG      GLU  13   4.668  -6.870  -2.159
  244    HG3  GLU  13           3HG      GLU  13   5.822  -6.427  -3.398
  245    H    ALA  14           H        ALA  14   4.329  -2.527  -1.208
  246    HA   ALA  14           HA       ALA  14   6.229  -0.819   0.006
  247    HB1  ALA  14           3HB      ALA  14   3.387  -0.301  -1.000
  248    HB2  ALA  14           1HB      ALA  14   4.624   0.932  -0.703
  249    HB3  ALA  14           2HB      ALA  14   4.870  -0.270  -1.982
  250    H    LEU  15           H        LEU  15   2.835  -1.530   1.002
  251    HA   LEU  15           HA       LEU  15   2.836   0.028   3.358
  252    HB2  LEU  15           2HB      LEU  15   1.350  -2.490   2.549
  253    HB3  LEU  15           3HB      LEU  15   1.081  -1.692   4.108
  254    HG   LEU  15           HG       LEU  15   0.684  -0.280   1.467
  255   HD11  LEU  15          1HD1      LEU  15  -1.708  -0.731   1.802
  256   HD12  LEU  15          2HD1      LEU  15  -0.797  -2.236   1.675
  257   HD13  LEU  15          3HD1      LEU  15  -1.350  -1.664   3.267
  258   HD21  LEU  15          3HD2      LEU  15  -0.187   0.348   4.325
  259   HD22  LEU  15          1HD2      LEU  15   1.024   1.238   3.391
  260   HD23  LEU  15          2HD2      LEU  15  -0.666   1.271   2.876
  261    H    TYR  16           H        TYR  16   3.904  -3.362   2.906
  262    HA   TYR  16           HA       TYR  16   4.619  -3.773   5.669
  263    HB2  TYR  16           2HB      TYR  16   4.272  -5.682   4.306
  264    HB3  TYR  16           3HB      TYR  16   5.379  -5.107   3.061
  265    HD1  TYR  16           HD2      TYR  16   5.367  -6.033   6.719
  266    HD2  TYR  16           HD1      TYR  16   7.585  -5.849   3.027
  267    HE1  TYR  16           HE2      TYR  16   7.331  -7.044   7.856
  268    HE2  TYR  16           HE1      TYR  16   9.566  -6.823   4.158
  269    HH   TYR  16           HH       TYR  16   9.518  -7.752   7.637
  270    H    LEU  17           H        LEU  17   6.594  -2.592   2.861
  271    HA   LEU  17           HA       LEU  17   9.022  -2.383   4.403
  272    HB2  LEU  17           2HB      LEU  17   8.086  -1.647   1.686
  273    HB3  LEU  17           3HB      LEU  17   9.222  -0.491   2.355
  274    HG   LEU  17           HG       LEU  17  10.859  -2.278   2.794
  275   HD11  LEU  17          1HD1      LEU  17   8.868  -4.126   1.401
  276   HD12  LEU  17          2HD1      LEU  17  10.552  -4.532   1.796
  277   HD13  LEU  17          3HD1      LEU  17   9.399  -4.226   3.096
  278   HD21  LEU  17          3HD2      LEU  17  10.918  -1.038   0.660
  279   HD22  LEU  17          1HD2      LEU  17  11.475  -2.704   0.448
  280   HD23  LEU  17          2HD2      LEU  17   9.841  -2.247  -0.082
  281    H    VAL  18           H        VAL  18   6.421  -0.035   3.838
  282    HA   VAL  18           HA       VAL  18   7.672   2.126   5.310
  283    HB   VAL  18           HB       VAL  18   4.752   1.552   4.670
  284   HG11  VAL  18          1HG1      VAL  18   4.769   3.080   6.605
  285   HG12  VAL  18          2HG1      VAL  18   5.968   4.119   5.795
  286   HG13  VAL  18          3HG1      VAL  18   4.328   3.950   5.137
  287   HG21  VAL  18          3HG2      VAL  18   5.069   3.250   2.952
  288   HG22  VAL  18          1HG2      VAL  18   6.756   3.506   3.460
  289   HG23  VAL  18          2HG2      VAL  18   6.252   1.972   2.736
  290    H    CYS  19           H        CYS  19   5.105  -0.197   6.253
  291    HA   CYS  19           HA       CYS  19   4.947   0.808   8.948
  292    HB2  CYS  19           2HB      CYS  19   3.113  -0.263   7.537
  293    HB3  CYS  19           3HB      CYS  19   3.882  -1.811   7.843
  294    H    GLY  20           H        GLY  20   6.763  -1.906   7.600
  295    HA2  GLY  20           HA2      GLY  20   8.463  -3.183   8.585
  296    HA3  GLY  20           HA3      GLY  20   8.092  -2.482  10.175
  297    H    GLU  21           H        GLU  21   8.329  -4.686  10.897
  298    HA   GLU  21           HA       GLU  21   6.745  -6.871  10.104
  299    HB2  GLU  21           2HB      GLU  21   7.524  -7.961  12.109
  300    HB3  GLU  21           3HB      GLU  21   8.830  -7.042  11.368
  301    HG2  GLU  21           2HG      GLU  21   8.479  -5.216  13.049
  302    HG3  GLU  21           3HG      GLU  21   7.193  -6.168  13.796
  303    H    ARG  22           H        ARG  22   5.606  -4.157  11.786
  304    HA   ARG  22           HA       ARG  22   3.495  -5.229  13.406
  305    HB2  ARG  22           2HB      ARG  22   3.794  -2.606  11.891
  306    HB3  ARG  22           3HB      ARG  22   2.486  -2.942  13.032
  307    HG2  ARG  22           2HG      ARG  22   4.097  -3.252  14.856
  308    HG3  ARG  22           3HG      ARG  22   5.455  -2.951  13.760
  309    HD2  ARG  22           2HD      ARG  22   3.214  -0.955  14.276
  310    HD3  ARG  22           3HD      ARG  22   4.745  -0.987  15.171
  311    HE   ARG  22           HE       ARG  22   5.287  -0.906  12.353
  312   HH11  ARG  22          1HH2      ARG  22   4.117   1.277  14.888
  313   HH12  ARG  22          2HH2      ARG  22   4.778   2.675  14.092
  314   HH21  ARG  22          1HH1      ARG  22   6.098   0.856  11.425
  315   HH22  ARG  22          2HH1      ARG  22   5.902   2.450  12.125
  316    H    GLY  23           H        GLY  23   3.749  -4.650   9.928
  317    HA2  GLY  23           HA2      GLY  23   2.449  -5.429   8.161
  318    HA3  GLY  23           HA3      GLY  23   1.415  -6.283   9.320
  319    H    HIS  24           H        HIS  24  -0.148  -5.533   7.614
  320    HA   HIS  24           HA       HIS  24  -1.437  -2.988   8.430
  321    HB2  HIS  24           2HB      HIS  24  -1.634  -2.336   6.015
  322    HB3  HIS  24           3HB      HIS  24  -0.011  -2.246   6.685
  323    HD2  HIS  24           HD2      HIS  24   1.867  -3.720   5.631
  324    HE1  HIS  24           HE1      HIS  24  -0.459  -5.539   2.569
  325    HE2  HIS  24           HE2      HIS  24   1.905  -5.184   3.441
  326    H    PHE  25           H        PHE  25  -3.603  -2.753   7.791
  327    HA   PHE  25           HA       PHE  25  -5.072  -5.263   7.889
  328    HB2  PHE  25           2HB      PHE  25  -7.019  -3.738   8.179
  329    HB3  PHE  25           3HB      PHE  25  -5.726  -3.506   9.336
  330    HD1  PHE  25           HD1      PHE  25  -7.134  -2.087   6.145
  331    HD2  PHE  25           HD2      PHE  25  -4.781  -1.358   9.693
  332    HE1  PHE  25           HE1      PHE  25  -7.089   0.337   5.622
  333    HE2  PHE  25           HE2      PHE  25  -4.783   1.069   9.186
  334    HZ   PHE  25           HZ       PHE  25  -5.963   1.924   7.169
  335    H    TYR  26           H        TYR  26  -4.012  -3.403   5.223
  336    HA   TYR  26           HA       TYR  26  -6.268  -3.607   3.487
  337    HB2  TYR  26           2HB      TYR  26  -4.591  -2.039   2.938
  338    HB3  TYR  26           3HB      TYR  26  -3.303  -3.222   3.096
  339    HD1  TYR  26           HD1      TYR  26  -6.493  -3.036   1.055
  340    HD2  TYR  26           HD2      TYR  26  -2.246  -3.768   1.111
  341    HE1  TYR  26           HE1      TYR  26  -6.570  -3.681  -1.340
  342    HE2  TYR  26           HE2      TYR  26  -2.293  -4.254  -1.315
  343    HH   TYR  26           HH       TYR  26  -5.357  -4.331  -3.186
  344    H    THR  27           H        THR  27  -3.653  -5.893   4.110
  345    HA   THR  27           HA       THR  27  -3.063  -7.416   2.162
  346    HB   THR  27           HB       THR  27  -3.297  -9.535   3.507
  347    HG1  THR  27           HG1      THR  27  -5.147  -8.814   4.681
  348   HG21  THR  27          1HG2      THR  27  -1.295  -8.094   3.604
  349   HG22  THR  27          2HG2      THR  27  -2.054  -7.105   4.869
  350   HG23  THR  27          3HG2      THR  27  -1.662  -8.806   5.184
  351    HA   PRO  28           HA       PRO  28  -7.045  -7.934   0.206
  352    HB2  PRO  28           2HB      PRO  28  -6.282  -8.375  -2.381
  353    HB3  PRO  28           3HB      PRO  28  -6.173  -6.781  -1.573
  354    HG2  PRO  28           2HG      PRO  28  -3.977  -8.849  -1.912
  355    HG3  PRO  28           3HG      PRO  28  -3.904  -7.092  -2.266
  356    HD2  PRO  28           2HD      PRO  28  -2.994  -8.126   0.076
  357    HD3  PRO  28           3HD      PRO  28  -3.830  -6.542   0.035
  358    H    LYS  29           H        LYS  29  -8.410  -9.592  -0.466
  359    HA   LYS  29           HA       LYS  29  -7.412 -12.318   0.065
  360    HB2  LYS  29           2HB      LYS  29 -10.302 -11.420  -0.256
  361    HB3  LYS  29           3HB      LYS  29  -9.734 -12.849   0.583
  362    HG2  LYS  29           2HG      LYS  29  -9.485  -9.952   1.437
  363    HG3  LYS  29           3HG      LYS  29 -10.548 -11.153   2.134
  364    HD2  LYS  29           2HD      LYS  29  -7.494 -11.338   2.305
  365    HD3  LYS  29           3HD      LYS  29  -8.503 -10.514   3.477
  366    HE2  LYS  29           2HE      LYS  29  -8.143 -12.585   4.458
  367    HE3  LYS  29           3HE      LYS  29  -9.789 -12.674   3.832
  368    HZ1  LYS  29           HZ1      LYS  29  -7.383 -13.842   2.528
  369    HZ2  LYS  29           HZ2      LYS  29  -8.504 -14.681   3.364
  370    HZ3  LYS  29           HZ3      LYS  29  -8.919 -13.970   1.958
  371    H    THR  30           H        THR  30  -7.253 -10.848  -2.509
  372    HA   THR  30           HA       THR  30  -9.181 -11.721  -4.334
  373    HB   THR  30           HB       THR  30  -6.378 -10.762  -5.038
  374    HG1  THR  30           HG1      THR  30  -7.386  -8.720  -4.979
  375   HG21  THR  30          1HG2      THR  30  -7.514  -9.788  -7.030
  376   HG22  THR  30          2HG2      THR  30  -7.626 -11.551  -7.021
  377   HG23  THR  30          3HG2      THR  30  -9.034 -10.575  -6.543
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1 -10.498   4.684  -1.368
    2    H2   GLY   1           2H       GLY   1  -9.489   5.692  -0.536
    3    H3   GLY   1           3H       GLY   1 -10.881   5.149   0.154
    4    HA2  GLY   1           HA2      GLY   1  -9.104   3.927   1.109
    5    HA3  GLY   1           HA3      GLY   1 -10.042   2.855   0.048
    6    H    ILE   2           H        ILE   2  -7.309   2.498   0.841
    7    HA   ILE   2           HA       ILE   2  -5.310   3.708  -0.534
    8    HB   ILE   2           HB       ILE   2  -5.057   2.165   1.346
    9   HG12  ILE   2          2HG1      ILE   2  -3.223   1.612  -1.015
   10   HG13  ILE   2          3HG1      ILE   2  -3.115   2.951   0.132
   11   HG21  ILE   2          1HG2      ILE   2  -6.478   0.262   0.445
   12   HG22  ILE   2          2HG2      ILE   2  -5.083  -0.192  -0.568
   13   HG23  ILE   2          3HG2      ILE   2  -4.958  -0.200   1.195
   14   HD11  ILE   2          3HD1      ILE   2  -1.510   1.369   0.867
   15   HD12  ILE   2          1HD1      ILE   2  -2.877   1.146   1.968
   16   HD13  ILE   2          2HD1      ILE   2  -2.615   0.003   0.634
   17    H    VAL   3           H        VAL   3  -6.791   0.723  -1.852
   18    HA   VAL   3           HA       VAL   3  -5.068   0.747  -4.148
   19    HB   VAL   3           HB       VAL   3  -6.182  -1.242  -3.095
   20   HG11  VAL   3          1HG1      VAL   3  -8.519  -0.410  -3.050
   21   HG12  VAL   3          2HG1      VAL   3  -8.579  -0.509  -4.823
   22   HG13  VAL   3          3HG1      VAL   3  -8.364  -1.978  -3.855
   23   HG21  VAL   3          3HG2      VAL   3  -4.923  -1.360  -5.228
   24   HG22  VAL   3          1HG2      VAL   3  -6.240  -2.541  -5.144
   25   HG23  VAL   3          2HG2      VAL   3  -6.432  -1.077  -6.125
   26    H    GLU   4           H        GLU   4  -8.020   2.447  -3.535
   27    HA   GLU   4           HA       GLU   4  -8.708   2.967  -6.347
   28    HB2  GLU   4           2HB      GLU   4  -9.567   4.481  -3.855
   29    HB3  GLU   4           3HB      GLU   4 -10.319   4.538  -5.441
   30    HG2  GLU   4           2HG      GLU   4 -11.067   2.214  -5.234
   31    HG3  GLU   4           3HG      GLU   4 -10.253   2.050  -3.673
   32    H    GLN   5           H        GLN   5  -6.403   4.152  -4.074
   33    HA   GLN   5           HA       GLN   5  -6.077   6.814  -5.418
   34    HB2  GLN   5           2HB      GLN   5  -5.241   5.713  -2.688
   35    HB3  GLN   5           3HB      GLN   5  -4.795   7.309  -3.298
   36    HG2  GLN   5           2HG      GLN   5  -7.061   8.080  -3.264
   37    HG3  GLN   5           3HG      GLN   5  -7.714   6.452  -3.075
   38   HE21  GLN   5          2HE2      GLN   5  -5.316   8.534  -1.253
   39   HE22  GLN   5          1HE2      GLN   5  -6.006   8.108   0.301
   40    H    CYS   6           H        CYS   6  -3.979   4.245  -3.928
   41    HA   CYS   6           HA       CYS   6  -1.605   5.181  -5.231
   42    HB2  CYS   6           2HB      CYS   6  -2.384   2.561  -3.932
   43    HB3  CYS   6           3HB      CYS   6  -0.757   2.907  -4.502
   44    H    CYS   7           H        CYS   7  -3.999   2.739  -6.298
   45    HA   CYS   7           HA       CYS   7  -2.315   1.842  -8.520
   46    HB2  CYS   7           2HB      CYS   7  -4.184   0.561  -7.272
   47    HB3  CYS   7           3HB      CYS   7  -5.300   1.466  -8.295
   48    H    THR   8           H        THR   8  -4.239   4.597  -8.008
   49    HA   THR   8           HA       THR   8  -4.796   5.148 -10.887
   50    HB   THR   8           HB       THR   8  -5.805   6.514  -8.358
   51    HG1  THR   8           HG1      THR   8  -7.408   5.141  -8.400
   52   HG21  THR   8          1HG2      THR   8  -7.641   7.306  -9.860
   53   HG22  THR   8          2HG2      THR   8  -6.068   7.971 -10.314
   54   HG23  THR   8          3HG2      THR   8  -6.767   6.634 -11.255
   55    H    SER   9           H        SER   9  -3.051   6.415  -8.061
   56    HA   SER   9           HA       SER   9  -1.552   8.319  -9.781
   57    HB2  SER   9           2HB      SER   9  -3.616   9.347  -8.550
   58    HB3  SER   9           3HB      SER   9  -2.658   9.129  -7.081
   59    HG   SER   9           HG       SER   9  -2.342  11.216  -8.079
   60    H    ILE  10           H        ILE  10   0.410   9.162  -8.651
   61    HA   ILE  10           HA       ILE  10   1.920   7.015  -7.421
   62    HB   ILE  10           HB       ILE  10   2.633   9.970  -7.468
   63   HG12  ILE  10          2HG1      ILE  10   2.147   9.348  -9.781
   64   HG13  ILE  10          3HG1      ILE  10   3.852   9.651  -9.533
   65   HG21  ILE  10          1HG2      ILE  10   4.983   9.092  -7.451
   66   HG22  ILE  10          2HG2      ILE  10   4.077   8.714  -5.986
   67   HG23  ILE  10          3HG2      ILE  10   4.342   7.452  -7.203
   68   HD11  ILE  10          3HD1      ILE  10   4.338   7.252  -9.547
   69   HD12  ILE  10          1HD1      ILE  10   2.598   6.881  -9.712
   70   HD13  ILE  10          2HD1      ILE  10   3.462   7.723 -11.011
   71    H    CYS  11           H        CYS  11   2.231   6.505  -5.302
   72    HA   CYS  11           HA       CYS  11   1.469   8.462  -3.198
   73    HB2  CYS  11           2HB      CYS  11   0.098   7.000  -2.039
   74    HB3  CYS  11           3HB      CYS  11  -0.395   6.795  -3.712
   75    H    SER  12           H        SER  12   2.281   7.878  -1.024
   76    HA   SER  12           HA       SER  12   5.005   6.659  -1.103
   77    HB2  SER  12           2HB      SER  12   4.326   9.567  -0.555
   78    HB3  SER  12           3HB      SER  12   5.914   8.847  -0.270
   79    HG   SER  12           HG       SER  12   5.797   9.923  -2.312
   80    H    LEU  13           H        LEU  13   6.137   7.007   1.026
   81    HA   LEU  13           HA       LEU  13   5.028   5.506   2.969
   82    HB2  LEU  13           2HB      LEU  13   6.843   6.240   4.405
   83    HB3  LEU  13           3HB      LEU  13   7.357   5.980   2.748
   84    HG   LEU  13           HG       LEU  13   6.909   8.696   2.682
   85   HD11  LEU  13          1HD1      LEU  13   7.845   9.719   4.687
   86   HD12  LEU  13          2HD1      LEU  13   6.437   8.763   5.168
   87   HD13  LEU  13          3HD1      LEU  13   8.064   8.130   5.452
   88   HD21  LEU  13          3HD2      LEU  13   8.918   7.545   1.872
   89   HD22  LEU  13          1HD2      LEU  13   9.352   8.937   2.874
   90   HD23  LEU  13          2HD2      LEU  13   9.471   7.294   3.543
   91    H    TYR  14           H        TYR  14   4.785   9.067   3.055
   92    HA   TYR  14           HA       TYR  14   3.578   9.132   5.671
   93    HB2  TYR  14           2HB      TYR  14   3.069  11.526   4.962
   94    HB3  TYR  14           3HB      TYR  14   4.764  11.038   4.958
   95    HD1  TYR  14           HD2      TYR  14   1.826  11.714   2.772
   96    HD2  TYR  14           HD1      TYR  14   6.082  11.071   2.961
   97    HE1  TYR  14           HE2      TYR  14   2.005  12.243   0.350
   98    HE2  TYR  14           HE1      TYR  14   6.290  11.659   0.570
   99    HH   TYR  14           HH       TYR  14   5.180  12.358  -1.344
  100    H    GLN  15           H        GLN  15   2.230   8.584   2.527
  101    HA   GLN  15           HA       GLN  15  -0.591   8.970   3.455
  102    HB2  GLN  15           2HB      GLN  15   0.767   8.388   0.799
  103    HB3  GLN  15           3HB      GLN  15  -0.935   8.012   1.017
  104    HG2  GLN  15           2HG      GLN  15   0.258  10.777   1.405
  105    HG3  GLN  15           3HG      GLN  15  -0.534  10.215  -0.059
  106   HE21  GLN  15          2HE2      GLN  15  -1.092  11.688   3.041
  107   HE22  GLN  15          1HE2      GLN  15  -2.841  11.563   2.984
  108    H    LEU  16           H        LEU  16   1.702   6.373   2.466
  109    HA   LEU  16           HA       LEU  16  -0.049   4.181   2.854
  110    HB2  LEU  16           2HB      LEU  16   2.937   4.583   2.998
  111    HB3  LEU  16           3HB      LEU  16   2.240   2.989   3.188
  112    HG   LEU  16           HG       LEU  16   1.905   4.729   0.701
  113   HD11  LEU  16          1HD1      LEU  16   3.499   3.093  -0.301
  114   HD12  LEU  16          2HD1      LEU  16   4.222   4.037   1.012
  115   HD13  LEU  16          3HD1      LEU  16   3.728   2.352   1.305
  116   HD21  LEU  16          3HD2      LEU  16   1.220   1.802   1.214
  117   HD22  LEU  16          1HD2      LEU  16   0.049   3.121   0.960
  118   HD23  LEU  16          2HD2      LEU  16   1.127   2.627  -0.354
  119    H    GLU  17           H        GLU  17   1.948   5.923   5.231
  120    HA   GLU  17           HA       GLU  17   1.763   4.147   7.372
  121    HB2  GLU  17           2HB      GLU  17   3.099   6.291   7.160
  122    HB3  GLU  17           3HB      GLU  17   1.643   7.179   7.611
  123    HG2  GLU  17           2HG      GLU  17   1.586   5.969   9.776
  124    HG3  GLU  17           3HG      GLU  17   2.967   4.987   9.279
  125    H    ASN  18           H        ASN  18  -0.786   6.194   6.094
  126    HA   ASN  18           HA       ASN  18  -2.543   6.158   8.374
  127    HB2  ASN  18           2HB      ASN  18  -3.131   6.431   5.397
  128    HB3  ASN  18           3HB      ASN  18  -4.304   6.684   6.664
  129   HD21  ASN  18          2HD2      ASN  18  -1.614   8.056   5.005
  130   HD22  ASN  18          1HD2      ASN  18  -1.567   9.595   5.874
  131    H    TYR  19           H        TYR  19  -1.671   3.606   6.210
  132    HA   TYR  19           HA       TYR  19  -3.985   1.952   7.111
  133    HB2  TYR  19           2HB      TYR  19  -2.177   1.260   4.815
  134    HB3  TYR  19           3HB      TYR  19  -3.802   0.689   5.144
  135    HD1  TYR  19           HD2      TYR  19  -5.767   2.378   4.852
  136    HD2  TYR  19           HD1      TYR  19  -1.761   3.162   3.508
  137    HE1  TYR  19           HE2      TYR  19  -6.613   4.217   3.403
  138    HE2  TYR  19           HE1      TYR  19  -2.569   5.006   2.069
  139    HH   TYR  19           HH       TYR  19  -6.074   5.853   1.879
  140    H    CYS  20           H        CYS  20  -1.106   2.616   8.257
  141    HA   CYS  20           HA       CYS  20   0.089  -0.047   8.627
  142    HB2  CYS  20           2HB      CYS  20   1.483   1.923   8.419
  143    HB3  CYS  20           3HB      CYS  20   0.674   2.689   9.782
  144    H    ASN  21           H        ASN  21   0.017  -1.317  10.493
  145    HA   ASN  21           HA       ASN  21  -2.273  -1.127  12.225
  146    HB2  ASN  21           2HB      ASN  21   0.230  -2.869  12.242
  147    HB3  ASN  21           3HB      ASN  21  -1.024  -3.010  13.466
  148   HD21  ASN  21          2HD2      ASN  21  -0.322  -5.129  12.109
  149   HD22  ASN  21          1HD2      ASN  21  -1.699  -5.560  11.126
  150    H1   PHE   1           H        PHE   1   9.544  -1.529  -4.324
  151    HA   PHE   1           HA       PHE   1   7.904   0.489  -4.289
  152    HB2  PHE   1           2HB      PHE   1   8.731  -0.773  -2.316
  153    HB3  PHE   1           3HB      PHE   1  10.137   0.282  -2.239
  154    HD1  PHE   1           HD2      PHE   1   6.832   1.844  -2.980
  155    HD2  PHE   1           HD1      PHE   1   9.580   0.656   0.131
  156    HE1  PHE   1           HE2      PHE   1   5.651   3.291  -1.380
  157    HE2  PHE   1           HE1      PHE   1   8.341   2.065   1.749
  158    HZ   PHE   1           HZ       PHE   1   6.373   3.392   0.992
  159    H    VAL   2           H        VAL   2  10.381   1.002  -6.044
  160    HA   VAL   2           HA       VAL   2  10.986   3.850  -5.746
  161    HB   VAL   2           HB       VAL   2  10.873   2.186  -8.289
  162   HG11  VAL   2          1HG1      VAL   2  10.835   4.575  -8.831
  163   HG12  VAL   2          2HG1      VAL   2  12.197   4.879  -7.730
  164   HG13  VAL   2          3HG1      VAL   2  12.427   3.922  -9.208
  165   HG21  VAL   2          3HG2      VAL   2  12.534   1.224  -6.731
  166   HG22  VAL   2          1HG2      VAL   2  13.357   2.033  -8.065
  167   HG23  VAL   2          2HG2      VAL   2  13.254   2.831  -6.481
  168    H    ASN   3           H        ASN   3   9.761   5.593  -6.416
  169    HA   ASN   3           HA       ASN   3   7.047   5.411  -6.254
  170    HB2  ASN   3           2HB      ASN   3   6.892   7.700  -6.740
  171    HB3  ASN   3           3HB      ASN   3   8.427   7.463  -5.932
  172   HD21  ASN   3          2HD2      ASN   3  10.441   7.638  -7.280
  173   HD22  ASN   3          1HD2      ASN   3  10.355   8.501  -8.801
  174    H    GLN   4           H        GLN   4   5.332   5.007  -7.406
  175    HA   GLN   4           HA       GLN   4   4.944   5.138 -10.224
  176    HB2  GLN   4           2HB      GLN   4   4.992   2.813 -10.830
  177    HB3  GLN   4           3HB      GLN   4   6.573   3.236 -10.205
  178    HG2  GLN   4           2HG      GLN   4   5.795   2.263  -7.950
  179    HG3  GLN   4           3HG      GLN   4   4.390   1.632  -8.815
  180   HE21  GLN   4          2HE2      GLN   4   7.923   1.415  -8.456
  181   HE22  GLN   4          1HE2      GLN   4   8.076  -0.118  -9.318
  182    H    HIS   5           H        HIS   5   2.888   3.628 -10.705
  183    HA   HIS   5           HA       HIS   5   0.852   4.394  -8.760
  184    HB2  HIS   5           2HB      HIS   5   0.651   2.930 -11.415
  185    HB3  HIS   5           3HB      HIS   5  -0.698   3.560 -10.467
  186    HD2  HIS   5           HD2      HIS   5   1.907   4.618 -12.997
  187    HE1  HIS   5           HE1      HIS   5  -0.079   8.202 -11.855
  188    HE2  HIS   5           HE2      HIS   5   1.556   7.170 -13.514
  189    H    LEU   6           H        LEU   6   1.942   3.049  -7.110
  190    HA   LEU   6           HA       LEU   6   2.157   0.323  -6.811
  191    HB2  LEU   6           2HB      LEU   6   1.654   2.664  -5.038
  192    HB3  LEU   6           3HB      LEU   6   1.107   1.151  -4.364
  193    HG   LEU   6           HG       LEU   6   3.289   0.171  -4.419
  194   HD11  LEU   6          1HD1      LEU   6   5.304   1.474  -5.089
  195   HD12  LEU   6          2HD1      LEU   6   4.258   1.092  -6.457
  196   HD13  LEU   6          3HD1      LEU   6   4.248   2.735  -5.767
  197   HD21  LEU   6          3HD2      LEU   6   4.410   1.706  -2.838
  198   HD22  LEU   6          1HD2      LEU   6   3.340   3.026  -3.339
  199   HD23  LEU   6          2HD2      LEU   6   2.672   1.602  -2.511
  200    H    CYS   7           H        CYS   7   0.856  -1.335  -7.175
  201    HA   CYS   7           HA       CYS   7  -1.999  -1.212  -6.297
  202    HB2  CYS   7           2HB      CYS   7  -1.468  -0.709  -8.805
  203    HB3  CYS   7           3HB      CYS   7  -1.202  -2.436  -8.947
  204    H    GLY   8           H        GLY   8  -2.202  -4.012  -7.642
  205    HA2  GLY   8           HA2      GLY   8  -1.139  -5.557  -5.356
  206    HA3  GLY   8           HA3      GLY   8  -2.153  -6.175  -6.669
  207    H    SER   9           H        SER   9   1.623  -7.101  -7.114
  208    HA   SER   9           HA       SER   9   0.142  -7.000  -4.570
  209    HB2  SER   9           2HB      SER   9   2.905  -8.042  -5.255
  210    HB3  SER   9           3HB      SER   9   2.020  -8.307  -3.743
  211    HG   SER   9           HG       SER   9   1.813 -10.085  -5.216
  212    H    HIS  10           H        HIS  10   2.199  -4.812  -6.131
  213    HA   HIS  10           HA       HIS  10   4.240  -4.021  -4.597
  214    HB2  HIS  10           2HB      HIS  10   2.366  -1.900  -5.664
  215    HB3  HIS  10           3HB      HIS  10   4.124  -1.889  -5.625
  216    HD2  HIS  10           HD2      HIS  10   5.052  -4.262  -7.267
  217    HE1  HIS  10           HE1      HIS  10   2.184  -3.209 -10.236
  218    HE2  HIS  10           HE2      HIS  10   4.305  -4.549  -9.780
  219    H    LEU  11           H        LEU  11   0.894  -3.019  -3.878
  220    HA   LEU  11           HA       LEU  11   1.417  -1.192  -1.749
  221    HB2  LEU  11           2HB      LEU  11  -0.908  -3.013  -2.500
  222    HB3  LEU  11           3HB      LEU  11  -0.953  -2.069  -1.014
  223    HG   LEU  11           HG       LEU  11  -0.704  -0.887  -3.808
  224   HD11  LEU  11          1HD1      LEU  11  -2.897  -1.880  -3.328
  225   HD12  LEU  11          2HD1      LEU  11  -2.969  -1.041  -1.766
  226   HD13  LEU  11          3HD1      LEU  11  -3.027  -0.111  -3.288
  227   HD21  LEU  11          3HD2      LEU  11  -1.221   1.247  -2.475
  228   HD22  LEU  11          1HD2      LEU  11  -0.778   0.340  -1.022
  229   HD23  LEU  11          2HD2      LEU  11   0.417   0.625  -2.289
  230    H    VAL  12           H        VAL  12   1.228  -4.752  -1.664
  231    HA   VAL  12           HA       VAL  12   1.065  -4.780   1.238
  232    HB   VAL  12           HB       VAL  12   1.864  -6.973  -0.757
  233   HG11  VAL  12          1HG1      VAL  12   1.390  -8.633   1.016
  234   HG12  VAL  12          2HG1      VAL  12   2.755  -7.606   1.449
  235   HG13  VAL  12          3HG1      VAL  12   1.167  -7.329   2.192
  236   HG21  VAL  12          3HG2      VAL  12  -0.449  -6.269  -1.085
  237   HG22  VAL  12          1HG2      VAL  12  -0.417  -7.871  -0.355
  238   HG23  VAL  12          2HG2      VAL  12  -0.785  -6.454   0.654
  239    H    GLU  13           H        GLU  13   3.633  -5.096  -1.163
  240    HA   GLU  13           HA       GLU  13   5.853  -5.540   0.595
  241    HB2  GLU  13           3HB      GLU  13   5.880  -4.101  -2.097
  242    HB3  GLU  13           2HB      GLU  13   7.231  -4.889  -1.298
  243    HG2  GLU  13           2HG      GLU  13   4.761  -6.256  -2.470
  244    HG3  GLU  13           3HG      GLU  13   6.362  -6.202  -3.178
  245    H    ALA  14           H        ALA  14   4.526  -2.528  -0.865
  246    HA   ALA  14           HA       ALA  14   6.300  -0.685   0.356
  247    HB1  ALA  14           3HB      ALA  14   3.407  -0.363  -0.583
  248    HB2  ALA  14           1HB      ALA  14   4.584   0.935  -0.338
  249    HB3  ALA  14           2HB      ALA  14   4.857  -0.264  -1.615
  250    H    LEU  15           H        LEU  15   2.976  -1.687   1.410
  251    HA   LEU  15           HA       LEU  15   2.983  -0.129   3.782
  252    HB2  LEU  15           2HB      LEU  15   1.479  -2.638   2.992
  253    HB3  LEU  15           3HB      LEU  15   1.273  -1.852   4.564
  254    HG   LEU  15           HG       LEU  15   0.698  -0.499   1.924
  255   HD11  LEU  15          1HD1      LEU  15  -1.679  -0.857   2.605
  256   HD12  LEU  15          2HD1      LEU  15  -0.813  -2.382   2.372
  257   HD13  LEU  15          3HD1      LEU  15  -1.131  -1.771   4.011
  258   HD21  LEU  15          3HD2      LEU  15  -0.431   1.186   3.307
  259   HD22  LEU  15          1HD2      LEU  15   0.048   0.328   4.794
  260   HD23  LEU  15          2HD2      LEU  15   1.266   1.095   3.762
  261    H    TYR  16           H        TYR  16   4.197  -3.461   3.237
  262    HA   TYR  16           HA       TYR  16   4.933  -3.899   5.986
  263    HB2  TYR  16           2HB      TYR  16   4.823  -5.784   4.539
  264    HB3  TYR  16           3HB      TYR  16   5.891  -5.044   3.349
  265    HD1  TYR  16           HD2      TYR  16   5.863  -6.113   6.953
  266    HD2  TYR  16           HD1      TYR  16   8.193  -5.497   3.377
  267    HE1  TYR  16           HE2      TYR  16   7.891  -6.957   8.129
  268    HE2  TYR  16           HE1      TYR  16  10.223  -6.329   4.545
  269    HH   TYR  16           HH       TYR  16  10.145  -7.428   7.967
  270    H    LEU  17           H        LEU  17   6.779  -2.431   3.243
  271    HA   LEU  17           HA       LEU  17   9.182  -2.074   4.814
  272    HB2  LEU  17           2HB      LEU  17   8.192  -0.900   2.196
  273    HB3  LEU  17           3HB      LEU  17   9.771  -0.504   2.874
  274    HG   LEU  17           HG       LEU  17   8.908  -3.365   2.261
  275   HD11  LEU  17          1HD1      LEU  17  10.606  -1.474   0.585
  276   HD12  LEU  17          2HD1      LEU  17  10.261  -3.180   0.226
  277   HD13  LEU  17          3HD1      LEU  17   8.947  -1.993   0.202
  278   HD21  LEU  17          3HD2      LEU  17  11.348  -3.821   2.334
  279   HD22  LEU  17          1HD2      LEU  17  11.640  -2.146   2.849
  280   HD23  LEU  17          2HD2      LEU  17  10.738  -3.268   3.894
  281    H    VAL  18           H        VAL  18   6.423   0.072   4.205
  282    HA   VAL  18           HA       VAL  18   7.484   2.330   5.691
  283    HB   VAL  18           HB       VAL  18   4.639   1.523   4.968
  284   HG11  VAL  18          1HG1      VAL  18   3.985   3.880   5.450
  285   HG12  VAL  18          2HG1      VAL  18   4.435   3.010   6.917
  286   HG13  VAL  18          3HG1      VAL  18   5.577   4.163   6.187
  287   HG21  VAL  18          3HG2      VAL  18   4.863   3.269   3.284
  288   HG22  VAL  18          1HG2      VAL  18   6.497   3.674   3.864
  289   HG23  VAL  18          2HG2      VAL  18   6.177   2.111   3.099
  290    H    CYS  19           H        CYS  19   5.076  -0.172   6.574
  291    HA   CYS  19           HA       CYS  19   4.797   0.853   9.256
  292    HB2  CYS  19           2HB      CYS  19   3.057  -0.295   7.733
  293    HB3  CYS  19           3HB      CYS  19   3.801  -1.811   8.207
  294    H    GLY  20           H        GLY  20   6.590  -1.949   8.001
  295    HA2  GLY  20           HA2      GLY  20   8.404  -3.017   9.081
  296    HA3  GLY  20           HA3      GLY  20   7.843  -2.434  10.660
  297    H    GLU  21           H        GLU  21   8.386  -4.709  11.143
  298    HA   GLU  21           HA       GLU  21   7.022  -6.965  10.100
  299    HB2  GLU  21           2HB      GLU  21   8.400  -6.544  12.781
  300    HB3  GLU  21           3HB      GLU  21   7.880  -8.113  12.155
  301    HG2  GLU  21           2HG      GLU  21   9.347  -7.827  10.176
  302    HG3  GLU  21           3HG      GLU  21   9.920  -6.284  10.818
  303    H    ARG  22           H        ARG  22   5.767  -4.632  12.254
  304    HA   ARG  22           HA       ARG  22   3.749  -6.209  13.594
  305    HB2  ARG  22           2HB      ARG  22   2.695  -4.029  14.061
  306    HB3  ARG  22           3HB      ARG  22   4.381  -4.157  14.559
  307    HG2  ARG  22           2HG      ARG  22   5.129  -2.828  12.661
  308    HG3  ARG  22           3HG      ARG  22   3.489  -2.801  11.975
  309    HD2  ARG  22           2HD      ARG  22   2.652  -1.536  13.830
  310    HD3  ARG  22           3HD      ARG  22   4.163  -1.728  14.738
  311    HE   ARG  22           HE       ARG  22   5.005  -0.529  12.422
  312   HH11  ARG  22          1HH1      ARG  22   2.374   0.473  14.549
  313   HH12  ARG  22          2HH1      ARG  22   2.843   2.149  14.497
  314   HH21  ARG  22          2HH2      ARG  22   5.517   1.614  12.328
  315   HH22  ARG  22          1HH2      ARG  22   4.565   2.800  13.175
  316    H    GLY  23           H        GLY  23   3.999  -5.244  10.301
  317    HA2  GLY  23           HA2      GLY  23   2.664  -5.850   8.513
  318    HA3  GLY  23           HA3      GLY  23   1.571  -6.663   9.645
  319    H    HIS  24           H        HIS  24   0.027  -5.876   8.023
  320    HA   HIS  24           HA       HIS  24  -1.192  -3.303   8.792
  321    HB2  HIS  24           2HB      HIS  24  -1.278  -2.574   6.403
  322    HB3  HIS  24           3HB      HIS  24   0.326  -2.550   7.122
  323    HD2  HIS  24           HD2      HIS  24   2.204  -3.954   5.994
  324    HE1  HIS  24           HE1      HIS  24  -0.121  -5.711   2.895
  325    HE2  HIS  24           HE2      HIS  24   2.245  -5.367   3.772
  326    H    PHE  25           H        PHE  25  -3.361  -3.042   8.106
  327    HA   PHE  25           HA       PHE  25  -4.805  -5.567   8.073
  328    HB2  PHE  25           2HB      PHE  25  -6.764  -4.161   8.451
  329    HB3  PHE  25           3HB      PHE  25  -5.463  -3.792   9.560
  330    HD1  PHE  25           HD1      PHE  25  -7.157  -2.590   6.428
  331    HD2  PHE  25           HD2      PHE  25  -4.637  -1.562   9.779
  332    HE1  PHE  25           HE1      PHE  25  -7.353  -0.189   5.843
  333    HE2  PHE  25           HE2      PHE  25  -4.873   0.840   9.212
  334    HZ   PHE  25           HZ       PHE  25  -6.256   1.533   7.259
  335    H    TYR  26           H        TYR  26  -3.732  -3.571   5.510
  336    HA   TYR  26           HA       TYR  26  -5.945  -3.686   3.727
  337    HB2  TYR  26           2HB      TYR  26  -4.230  -2.120   3.281
  338    HB3  TYR  26           3HB      TYR  26  -2.967  -3.339   3.414
  339    HD1  TYR  26           HD1      TYR  26  -6.049  -2.754   1.296
  340    HD2  TYR  26           HD2      TYR  26  -1.949  -4.081   1.463
  341    HE1  TYR  26           HE1      TYR  26  -6.131  -3.338  -1.123
  342    HE2  TYR  26           HE2      TYR  26  -1.996  -4.555  -0.960
  343    HH   TYR  26           HH       TYR  26  -3.279  -4.615  -2.883
  344    H    THR  27           H        THR  27  -3.482  -6.103   4.388
  345    HA   THR  27           HA       THR  27  -2.818  -7.506   2.348
  346    HB   THR  27           HB       THR  27  -3.183  -9.696   3.597
  347    HG1  THR  27           HG1      THR  27  -3.793  -9.414   5.759
  348   HG21  THR  27          1HG2      THR  27  -1.781  -7.368   4.992
  349   HG22  THR  27          2HG2      THR  27  -1.463  -9.095   5.252
  350   HG23  THR  27          3HG2      THR  27  -1.100  -8.360   3.684
  351    HA   PRO  28           HA       PRO  28  -6.661  -7.754   0.197
  352    HB2  PRO  28           2HB      PRO  28  -5.815  -8.151  -2.364
  353    HB3  PRO  28           3HB      PRO  28  -5.575  -6.619  -1.470
  354    HG2  PRO  28           2HG      PRO  28  -3.603  -8.905  -1.807
  355    HG3  PRO  28           3HG      PRO  28  -3.322  -7.155  -2.081
  356    HD2  PRO  28           2HD      PRO  28  -2.644  -8.365   0.257
  357    HD3  PRO  28           3HD      PRO  28  -3.307  -6.700   0.237
  358    H    LYS  29           H        LYS  29  -8.044  -9.191  -1.005
  359    HA   LYS  29           HA       LYS  29  -7.245 -11.958  -1.534
  360    HB2  LYS  29           2HB      LYS  29  -7.758 -11.912   0.916
  361    HB3  LYS  29           3HB      LYS  29  -9.388 -11.339   0.548
  362    HG2  LYS  29           2HG      LYS  29  -9.854 -13.438  -0.684
  363    HG3  LYS  29           3HG      LYS  29  -8.189 -13.983  -0.396
  364    HD2  LYS  29           2HD      LYS  29  -8.615 -13.976   2.056
  365    HD3  LYS  29           3HD      LYS  29 -10.243 -13.353   1.771
  366    HE2  LYS  29           2HE      LYS  29 -10.460 -15.694   2.180
  367    HE3  LYS  29           3HE      LYS  29 -10.796 -15.418   0.470
  368    HZ1  LYS  29           HZ1      LYS  29  -8.220 -16.418   1.567
  369    HZ2  LYS  29           HZ2      LYS  29  -9.346 -17.337   0.824
  370    HZ3  LYS  29           HZ3      LYS  29  -8.540 -16.199  -0.023
  371    H    THR  30           H        THR  30  -8.400 -12.847  -3.138
  372    HA   THR  30           HA       THR  30 -10.080 -11.329  -4.853
  373    HB   THR  30           HB       THR  30  -9.834 -14.357  -4.746
  374    HG1  THR  30           HG1      THR  30  -8.192 -12.422  -6.027
  375   HG21  THR  30          1HG2      THR  30 -10.385 -12.425  -7.049
  376   HG22  THR  30          2HG2      THR  30 -10.093 -14.172  -7.215
  377   HG23  THR  30          3HG2      THR  30 -11.527 -13.596  -6.356
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -11.344   4.200   1.208
    2    H2   GLY   1           2H       GLY   1 -10.896   4.194  -0.366
    3    H3   GLY   1           3H       GLY   1 -10.179   5.234   0.687
    4    HA2  GLY   1           HA2      GLY   1  -9.264   3.333   1.922
    5    HA3  GLY   1           HA3      GLY   1  -9.939   2.299   0.646
    6    H    ILE   2           H        ILE   2  -7.484   1.804   0.820
    7    HA   ILE   2           HA       ILE   2  -5.602   3.718  -0.235
    8    HB   ILE   2           HB       ILE   2  -5.086   1.978   1.435
    9   HG12  ILE   2          2HG1      ILE   2  -3.359   1.884  -1.073
   10   HG13  ILE   2          3HG1      ILE   2  -3.316   3.113   0.180
   11   HG21  ILE   2          1HG2      ILE   2  -4.753  -0.337   0.920
   12   HG22  ILE   2          2HG2      ILE   2  -6.373   0.068   0.374
   13   HG23  ILE   2          3HG2      ILE   2  -5.052  -0.081  -0.806
   14   HD11  ILE   2          3HD1      ILE   2  -1.511   1.628   0.637
   15   HD12  ILE   2          1HD1      ILE   2  -2.754   1.235   1.837
   16   HD13  ILE   2          2HD1      ILE   2  -2.520   0.193   0.417
   17    H    VAL   3           H        VAL   3  -7.305   1.043  -1.818
   18    HA   VAL   3           HA       VAL   3  -5.488   0.848  -4.046
   19    HB   VAL   3           HB       VAL   3  -8.398  -0.057  -3.920
   20   HG11  VAL   3          1HG1      VAL   3  -7.737  -1.698  -5.647
   21   HG12  VAL   3          2HG1      VAL   3  -7.510  -0.053  -6.242
   22   HG13  VAL   3          3HG1      VAL   3  -6.107  -1.005  -5.701
   23   HG21  VAL   3          3HG2      VAL   3  -7.430  -2.292  -3.340
   24   HG22  VAL   3          1HG2      VAL   3  -5.826  -1.538  -3.199
   25   HG23  VAL   3          2HG2      VAL   3  -7.135  -1.091  -2.083
   26    H    GLU   4           H        GLU   4  -8.506   2.613  -3.498
   27    HA   GLU   4           HA       GLU   4  -8.814   3.778  -6.075
   28    HB2  GLU   4           2HB      GLU   4  -9.712   5.032  -3.456
   29    HB3  GLU   4           3HB      GLU   4 -10.421   5.200  -5.056
   30    HG2  GLU   4           2HG      GLU   4 -11.925   3.732  -4.224
   31    HG3  GLU   4           3HG      GLU   4 -10.769   2.538  -4.801
   32    H    GLN   5           H        GLN   5  -6.253   4.338  -3.956
   33    HA   GLN   5           HA       GLN   5  -5.692   7.032  -5.164
   34    HB2  GLN   5           2HB      GLN   5  -4.872   5.941  -2.432
   35    HB3  GLN   5           3HB      GLN   5  -4.341   7.474  -3.122
   36    HG2  GLN   5           2HG      GLN   5  -7.251   6.787  -2.476
   37    HG3  GLN   5           3HG      GLN   5  -6.164   7.667  -1.418
   38   HE21  GLN   5          2HE2      GLN   5  -7.776   7.882  -4.675
   39   HE22  GLN   5          1HE2      GLN   5  -7.723   9.640  -4.680
   40    H    CYS   6           H        CYS   6  -3.960   4.192  -3.681
   41    HA   CYS   6           HA       CYS   6  -1.550   4.902  -5.127
   42    HB2  CYS   6           2HB      CYS   6  -2.385   2.590  -3.358
   43    HB3  CYS   6           3HB      CYS   6  -0.820   2.627  -4.165
   44    H    CYS   7           H        CYS   7  -4.142   2.610  -5.894
   45    HA   CYS   7           HA       CYS   7  -2.637   1.473  -8.165
   46    HB2  CYS   7           2HB      CYS   7  -4.598   0.454  -6.673
   47    HB3  CYS   7           3HB      CYS   7  -5.617   1.252  -7.864
   48    H    THR   8           H        THR   8  -4.677   4.213  -7.581
   49    HA   THR   8           HA       THR   8  -5.419   4.713 -10.383
   50    HB   THR   8           HB       THR   8  -5.885   6.357  -7.860
   51    HG1  THR   8           HG1      THR   8  -7.869   5.311  -7.856
   52   HG21  THR   8          1HG2      THR   8  -7.831   7.255  -9.142
   53   HG22  THR   8          2HG2      THR   8  -6.290   7.696  -9.882
   54   HG23  THR   8          3HG2      THR   8  -7.265   6.386 -10.587
   55    H    SER   9           H        SER   9  -3.208   6.102  -7.956
   56    HA   SER   9           HA       SER   9  -1.839   7.741 -10.017
   57    HB2  SER   9           2HB      SER   9  -3.790   8.999  -8.959
   58    HB3  SER   9           3HB      SER   9  -2.895   8.924  -7.433
   59    HG   SER   9           HG       SER   9  -2.530  10.876  -8.708
   60    H    ILE  10           H        ILE  10  -0.228   9.206  -8.376
   61    HA   ILE  10           HA       ILE  10   1.872   7.340  -7.746
   62    HB   ILE  10           HB       ILE  10   1.557  10.287  -7.059
   63   HG12  ILE  10          2HG1      ILE  10   1.612   9.879  -9.488
   64   HG13  ILE  10          3HG1      ILE  10   3.026  10.749  -8.925
   65   HG21  ILE  10          1HG2      ILE  10   4.061  10.270  -6.775
   66   HG22  ILE  10          2HG2      ILE  10   3.175   9.424  -5.508
   67   HG23  ILE  10          3HG2      ILE  10   3.997   8.493  -6.771
   68   HD11  ILE  10          3HD1      ILE  10   3.637   9.088 -10.611
   69   HD12  ILE  10          1HD1      ILE  10   4.387   8.679  -9.061
   70   HD13  ILE  10          2HD1      ILE  10   2.955   7.781  -9.634
   71    H    CYS  11           H        CYS  11   2.299   6.183  -6.076
   72    HA   CYS  11           HA       CYS  11   0.977   6.624  -3.447
   73    HB2  CYS  11           2HB      CYS  11   0.863   4.446  -4.877
   74    HB3  CYS  11           3HB      CYS  11   2.546   4.227  -4.419
   75    H    SER  12           H        SER  12   2.242   6.758  -1.548
   76    HA   SER  12           HA       SER  12   5.198   7.028  -1.747
   77    HB2  SER  12           2HB      SER  12   3.399   9.287  -0.811
   78    HB3  SER  12           3HB      SER  12   5.157   9.314  -0.961
   79    HG   SER  12           HG       SER  12   3.896  10.360  -2.698
   80    H    LEU  13           H        LEU  13   6.248   7.111   0.304
   81    HA   LEU  13           HA       LEU  13   5.289   5.482   2.312
   82    HB2  LEU  13           2HB      LEU  13   7.189   6.220   3.598
   83    HB3  LEU  13           3HB      LEU  13   7.589   6.002   1.900
   84    HG   LEU  13           HG       LEU  13   7.105   8.710   1.932
   85   HD11  LEU  13          1HD1      LEU  13   8.169   9.694   3.899
   86   HD12  LEU  13          2HD1      LEU  13   6.801   8.714   4.443
   87   HD13  LEU  13          3HD1      LEU  13   8.448   8.087   4.605
   88   HD21  LEU  13          3HD2      LEU  13   9.069   7.609   0.958
   89   HD22  LEU  13          1HD2      LEU  13   9.553   8.983   1.962
   90   HD23  LEU  13          2HD2      LEU  13   9.738   7.327   2.580
   91    H    TYR  14           H        TYR  14   5.034   9.046   2.390
   92    HA   TYR  14           HA       TYR  14   3.943   9.082   5.062
   93    HB2  TYR  14           2HB      TYR  14   3.394  11.486   4.399
   94    HB3  TYR  14           3HB      TYR  14   5.090  11.010   4.342
   95    HD1  TYR  14           HD1      TYR  14   2.076  11.672   2.248
   96    HD2  TYR  14           HD2      TYR  14   6.346  11.091   2.298
   97    HE1  TYR  14           HE1      TYR  14   2.173  12.228  -0.172
   98    HE2  TYR  14           HE2      TYR  14   6.470  11.720  -0.094
   99    HH   TYR  14           HH       TYR  14   5.290  12.407  -1.964
  100    H    GLN  15           H        GLN  15   2.489   8.542   1.973
  101    HA   GLN  15           HA       GLN  15  -0.299   8.999   2.929
  102    HB2  GLN  15           2HB      GLN  15   1.023   8.271   0.295
  103    HB3  GLN  15           3HB      GLN  15  -0.690   7.948   0.538
  104    HG2  GLN  15           2HG      GLN  15   0.588  10.686   0.812
  105    HG3  GLN  15           3HG      GLN  15  -0.243  10.096  -0.619
  106   HE21  GLN  15          2HE2      GLN  15  -2.627   9.667  -0.450
  107   HE22  GLN  15          1HE2      GLN  15  -3.528  10.499   0.806
  108    H    LEU  16           H        LEU  16   1.875   6.300   1.952
  109    HA   LEU  16           HA       LEU  16   0.195   4.120   2.490
  110    HB2  LEU  16           2HB      LEU  16   3.172   4.624   2.623
  111    HB3  LEU  16           3HB      LEU  16   2.538   3.026   2.962
  112    HG   LEU  16           HG       LEU  16   2.059   4.509   0.336
  113   HD11  LEU  16          1HD1      LEU  16   4.070   2.311   0.998
  114   HD12  LEU  16          2HD1      LEU  16   3.750   2.983  -0.616
  115   HD13  LEU  16          3HD1      LEU  16   4.466   4.009   0.637
  116   HD21  LEU  16          3HD2      LEU  16   1.480   2.199  -0.442
  117   HD22  LEU  16          1HD2      LEU  16   1.625   1.628   1.217
  118   HD23  LEU  16          2HD2      LEU  16   0.366   2.819   0.787
  119    H    GLU  17           H        GLU  17   2.199   5.979   4.784
  120    HA   GLU  17           HA       GLU  17   1.968   4.272   6.970
  121    HB2  GLU  17           2HB      GLU  17   3.370   6.390   6.663
  122    HB3  GLU  17           3HB      GLU  17   1.959   7.303   7.201
  123    HG2  GLU  17           2HG      GLU  17   1.965   6.018   9.336
  124    HG3  GLU  17           3HG      GLU  17   3.322   5.053   8.756
  125    H    ASN  18           H        ASN  18  -0.525   6.397   5.685
  126    HA   ASN  18           HA       ASN  18  -2.235   6.507   7.999
  127    HB2  ASN  18           2HB      ASN  18  -2.891   6.723   5.032
  128    HB3  ASN  18           3HB      ASN  18  -4.009   7.083   6.327
  129   HD21  ASN  18          2HD2      ASN  18  -1.281   8.231   4.552
  130   HD22  ASN  18          1HD2      ASN  18  -1.150   9.808   5.334
  131    H    TYR  19           H        TYR  19  -1.523   3.862   5.890
  132    HA   TYR  19           HA       TYR  19  -3.912   2.340   6.842
  133    HB2  TYR  19           2HB      TYR  19  -2.178   1.499   4.541
  134    HB3  TYR  19           3HB      TYR  19  -3.833   1.043   4.899
  135    HD1  TYR  19           HD2      TYR  19  -5.701   2.799   4.519
  136    HD2  TYR  19           HD1      TYR  19  -1.642   3.378   3.239
  137    HE1  TYR  19           HE2      TYR  19  -6.435   4.643   3.005
  138    HE2  TYR  19           HE1      TYR  19  -2.330   5.234   1.761
  139    HH   TYR  19           HH       TYR  19  -4.121   6.481   0.967
  140    H    CYS  20           H        CYS  20  -0.983   2.923   7.921
  141    HA   CYS  20           HA       CYS  20  -0.099   0.199   8.568
  142    HB2  CYS  20           2HB      CYS  20   1.496   2.070   8.335
  143    HB3  CYS  20           3HB      CYS  20   0.748   2.872   9.715
  144    H    ASN  21           H        ASN  21  -0.160  -0.634  10.791
  145    HA   ASN  21           HA       ASN  21  -2.754  -0.443  11.988
  146    HB2  ASN  21           2HB      ASN  21  -0.168  -1.675  13.022
  147    HB3  ASN  21           3HB      ASN  21  -1.746  -1.879  13.777
  148   HD21  ASN  21          1HD2      ASN  21  -0.591  -4.175  13.200
  149   HD22  ASN  21          2HD2      ASN  21  -1.184  -4.876  11.697
  150    H1   PHE   1           H        PHE   1  10.940   0.608  -4.149
  151    HA   PHE   1           HA       PHE   1   9.797   1.641  -5.939
  152    HB2  PHE   1           2HB      PHE   1   7.452   1.875  -5.271
  153    HB3  PHE   1           3HB      PHE   1   8.200   0.420  -4.643
  154    HD1  PHE   1           HD1      PHE   1   8.724   0.185  -2.260
  155    HD2  PHE   1           HD2      PHE   1   6.749   3.686  -3.771
  156    HE1  PHE   1           HE1      PHE   1   8.066   0.810   0.067
  157    HE2  PHE   1           HE2      PHE   1   6.064   4.308  -1.459
  158    HZ   PHE   1           HZ       PHE   1   6.749   2.866   0.470
  159    H    VAL   2           H        VAL   2  10.258   3.721  -3.214
  160    HA   VAL   2           HA       VAL   2  10.553   5.938  -2.931
  161    HB   VAL   2           HB       VAL   2  10.963   6.133  -5.945
  162   HG11  VAL   2          1HG1      VAL   2  10.768   8.344  -4.884
  163   HG12  VAL   2          2HG1      VAL   2  11.934   7.874  -3.630
  164   HG13  VAL   2          3HG1      VAL   2  12.445   8.035  -5.324
  165   HG21  VAL   2          3HG2      VAL   2  13.375   5.841  -5.409
  166   HG22  VAL   2          1HG2      VAL   2  12.951   5.481  -3.721
  167   HG23  VAL   2          2HG2      VAL   2  12.444   4.392  -5.033
  168    H    ASN   3           H        ASN   3   9.096   6.679  -6.077
  169    HA   ASN   3           HA       ASN   3   6.434   7.261  -4.931
  170    HB2  ASN   3           2HB      ASN   3   8.075   9.369  -6.405
  171    HB3  ASN   3           3HB      ASN   3   6.396   9.522  -5.892
  172   HD21  ASN   3          2HD2      ASN   3   6.015   9.356  -3.401
  173   HD22  ASN   3          1HD2      ASN   3   7.282  10.070  -2.419
  174    H    GLN   4           H        GLN   4   5.187   6.032  -6.261
  175    HA   GLN   4           HA       GLN   4   5.056   6.459  -9.107
  176    HB2  GLN   4           2HB      GLN   4   5.757   4.301  -9.913
  177    HB3  GLN   4           3HB      GLN   4   7.102   5.064  -9.090
  178    HG2  GLN   4           2HG      GLN   4   6.641   3.647  -7.069
  179    HG3  GLN   4           3HG      GLN   4   5.324   2.865  -7.949
  180   HE21  GLN   4          2HE2      GLN   4   8.868   3.244  -7.786
  181   HE22  GLN   4          1HE2      GLN   4   9.215   1.888  -8.861
  182    H    HIS   5           H        HIS   5   3.472   4.848 -10.141
  183    HA   HIS   5           HA       HIS   5   1.114   4.428  -8.507
  184    HB2  HIS   5           2HB      HIS   5   1.802   3.229 -11.217
  185    HB3  HIS   5           3HB      HIS   5   0.201   3.413 -10.504
  186    HD2  HIS   5           HD2      HIS   5   2.913   5.337 -12.393
  187    HE1  HIS   5           HE1      HIS   5  -0.376   8.010 -12.023
  188    HE2  HIS   5           HE2      HIS   5   1.899   7.655 -13.110
  189    H    LEU   6           H        LEU   6   0.454   2.571  -7.418
  190    HA   LEU   6           HA       LEU   6   2.287   0.220  -7.329
  191    HB2  LEU   6           2HB      LEU   6   2.888   2.446  -5.931
  192    HB3  LEU   6           3HB      LEU   6   1.681   1.808  -4.830
  193    HG   LEU   6           HG       LEU   6   3.095  -0.267  -4.607
  194   HD11  LEU   6          1HD1      LEU   6   5.442  -0.171  -5.376
  195   HD12  LEU   6          2HD1      LEU   6   4.371  -0.077  -6.779
  196   HD13  LEU   6          3HD1      LEU   6   5.147   1.391  -6.158
  197   HD21  LEU   6          3HD2      LEU   6   4.252   2.497  -3.992
  198   HD22  LEU   6          1HD2      LEU   6   3.247   1.480  -2.935
  199   HD23  LEU   6          2HD2      LEU   6   4.916   1.008  -3.330
  200    H    CYS   7           H        CYS   7   1.084  -1.620  -7.107
  201    HA   CYS   7           HA       CYS   7  -1.505  -1.566  -5.656
  202    HB2  CYS   7           2HB      CYS   7  -1.721  -0.571  -7.981
  203    HB3  CYS   7           3HB      CYS   7  -1.393  -2.172  -8.624
  204    H    GLY   8           H        GLY   8  -2.376  -3.585  -5.154
  205    HA2  GLY   8           HA2      GLY   8  -2.422  -5.856  -4.721
  206    HA3  GLY   8           HA3      GLY   8  -1.496  -6.087  -6.214
  207    H    SER   9           H        SER   9   0.201  -7.359  -5.766
  208    HA   SER   9           HA       SER   9   1.477  -7.800  -3.316
  209    HB2  SER   9           2HB      SER   9   2.743  -7.926  -6.080
  210    HB3  SER   9           3HB      SER   9   3.289  -8.771  -4.620
  211    HG   SER   9           HG       SER   9   2.012 -10.131  -5.987
  212    H    HIS  10           H        HIS  10   2.543  -5.463  -5.871
  213    HA   HIS  10           HA       HIS  10   4.786  -4.377  -4.525
  214    HB2  HIS  10           2HB      HIS  10   2.821  -3.340  -6.589
  215    HB3  HIS  10           3HB      HIS  10   4.006  -2.253  -5.890
  216    HD2  HIS  10           HD2      HIS  10   4.526  -5.939  -7.103
  217    HE1  HIS  10           HE1      HIS  10   7.294  -3.451  -9.169
  218    HE2  HIS  10           HE2      HIS  10   6.515  -5.854  -8.824
  219    H    LEU  11           H        LEU  11   1.347  -3.616  -4.100
  220    HA   LEU  11           HA       LEU  11   1.846  -1.331  -2.359
  221    HB2  LEU  11           2HB      LEU  11  -0.084  -1.588  -3.899
  222    HB3  LEU  11           3HB      LEU  11  -0.711  -2.903  -2.911
  223    HG   LEU  11           HG       LEU  11  -1.075  -1.338  -1.043
  224   HD11  LEU  11          1HD1      LEU  11  -0.809   1.151  -1.525
  225   HD12  LEU  11          2HD1      LEU  11   0.710   0.268  -1.334
  226   HD13  LEU  11          3HD1      LEU  11   0.137   0.713  -2.956
  227   HD21  LEU  11          3HD2      LEU  11  -2.804  -1.673  -2.842
  228   HD22  LEU  11          1HD2      LEU  11  -2.909  -0.090  -2.072
  229   HD23  LEU  11          2HD2      LEU  11  -2.174  -0.241  -3.678
  230    H    VAL  12           H        VAL  12   1.012  -4.764  -1.834
  231    HA   VAL  12           HA       VAL  12   0.966  -4.636   1.056
  232    HB   VAL  12           HB       VAL  12   1.663  -6.916  -0.860
  233   HG11  VAL  12          1HG1      VAL  12   1.264  -7.142   2.152
  234   HG12  VAL  12          2HG1      VAL  12   1.339  -8.499   1.016
  235   HG13  VAL  12          3HG1      VAL  12   2.758  -7.487   1.255
  236   HG21  VAL  12          3HG2      VAL  12  -0.544  -7.803  -0.242
  237   HG22  VAL  12          1HG2      VAL  12  -0.843  -6.382   0.784
  238   HG23  VAL  12          2HG2      VAL  12  -0.681  -6.209  -0.976
  239    H    GLU  13           H        GLU  13   3.631  -5.324  -1.232
  240    HA   GLU  13           HA       GLU  13   5.735  -5.688   0.641
  241    HB2  GLU  13           2HB      GLU  13   5.703  -4.587  -2.199
  242    HB3  GLU  13           3HB      GLU  13   7.187  -4.935  -1.324
  243    HG2  GLU  13           2HG      GLU  13   5.081  -7.089  -1.733
  244    HG3  GLU  13           3HG      GLU  13   6.231  -6.674  -2.991
  245    H    ALA  14           H        ALA  14   4.612  -2.690  -0.994
  246    HA   ALA  14           HA       ALA  14   6.463  -0.918   0.230
  247    HB1  ALA  14           3HB      ALA  14   5.150  -0.482  -1.802
  248    HB2  ALA  14           1HB      ALA  14   3.646  -0.419  -0.845
  249    HB3  ALA  14           2HB      ALA  14   4.910   0.799  -0.603
  250    H    LEU  15           H        LEU  15   3.048  -1.685   1.179
  251    HA   LEU  15           HA       LEU  15   3.052  -0.045   3.493
  252    HB2  LEU  15           2HB      LEU  15   1.533  -2.564   2.740
  253    HB3  LEU  15           3HB      LEU  15   1.319  -1.783   4.317
  254    HG   LEU  15           HG       LEU  15   0.760  -0.433   1.677
  255   HD11  LEU  15          1HD1      LEU  15  -0.731  -2.325   2.129
  256   HD12  LEU  15          2HD1      LEU  15  -1.079  -1.701   3.756
  257   HD13  LEU  15          3HD1      LEU  15  -1.616  -0.808   2.327
  258   HD21  LEU  15          3HD2      LEU  15   0.067   0.382   4.549
  259   HD22  LEU  15          1HD2      LEU  15   1.303   1.165   3.551
  260   HD23  LEU  15          2HD2      LEU  15  -0.388   1.253   3.064
  261    H    TYR  16           H        TYR  16   4.134  -3.437   3.111
  262    HA   TYR  16           HA       TYR  16   4.823  -3.873   5.861
  263    HB2  TYR  16           2HB      TYR  16   4.626  -5.728   4.384
  264    HB3  TYR  16           3HB      TYR  16   5.726  -5.035   3.209
  265    HD1  TYR  16           HD1      TYR  16   5.536  -6.685   6.526
  266    HD2  TYR  16           HD2      TYR  16   8.111  -5.234   3.389
  267    HE1  TYR  16           HE1      TYR  16   7.444  -7.937   7.520
  268    HE2  TYR  16           HE2      TYR  16  10.038  -6.428   4.406
  269    HH   TYR  16           HH       TYR  16   9.716  -8.419   7.379
  270    H    LEU  17           H        LEU  17   6.784  -2.484   3.152
  271    HA   LEU  17           HA       LEU  17   9.154  -2.145   4.684
  272    HB2  LEU  17           2HB      LEU  17   8.742  -2.046   2.095
  273    HB3  LEU  17           3HB      LEU  17   8.275  -0.376   2.373
  274    HG   LEU  17           HG       LEU  17  10.540  -0.046   3.498
  275   HD11  LEU  17          1HD1      LEU  17  11.123  -2.758   2.214
  276   HD12  LEU  17          2HD1      LEU  17  12.345  -1.653   2.875
  277   HD13  LEU  17          3HD1      LEU  17  11.163  -2.397   3.953
  278   HD21  LEU  17          3HD2      LEU  17  10.099   0.756   1.239
  279   HD22  LEU  17          1HD2      LEU  17  11.746   0.121   1.328
  280   HD23  LEU  17          2HD2      LEU  17  10.468  -0.848   0.560
  281    H    VAL  18           H        VAL  18   6.452   0.091   4.079
  282    HA   VAL  18           HA       VAL  18   7.564   2.310   5.567
  283    HB   VAL  18           HB       VAL  18   4.715   1.688   4.695
  284   HG11  VAL  18          1HG1      VAL  18   4.257   4.117   4.967
  285   HG12  VAL  18          2HG1      VAL  18   4.545   3.327   6.520
  286   HG13  VAL  18          3HG1      VAL  18   5.823   4.320   5.776
  287   HG21  VAL  18          3HG2      VAL  18   6.797   3.597   3.546
  288   HG22  VAL  18          1HG2      VAL  18   6.394   2.009   2.875
  289   HG23  VAL  18          2HG2      VAL  18   5.167   3.270   2.910
  290    H    CYS  19           H        CYS  19   5.014  -0.049   6.374
  291    HA   CYS  19           HA       CYS  19   4.522   1.028   9.013
  292    HB2  CYS  19           2HB      CYS  19   2.903  -0.151   7.413
  293    HB3  CYS  19           3HB      CYS  19   3.679  -1.657   7.852
  294    H    GLY  20           H        GLY  20   6.467  -1.700   7.871
  295    HA2  GLY  20           HA2      GLY  20   8.175  -2.810   9.129
  296    HA3  GLY  20           HA3      GLY  20   7.373  -2.357  10.648
  297    H    GLU  21           H        GLU  21   7.816  -4.692  10.977
  298    HA   GLU  21           HA       GLU  21   6.399  -6.673   9.402
  299    HB2  GLU  21           2HB      GLU  21   8.028  -7.078  11.941
  300    HB3  GLU  21           3HB      GLU  21   7.591  -8.290  10.725
  301    HG2  GLU  21           2HG      GLU  21   8.874  -6.831   9.040
  302    HG3  GLU  21           3HG      GLU  21   9.508  -5.954  10.426
  303    H    ARG  22           H        ARG  22   4.564  -4.968  10.632
  304    HA   ARG  22           HA       ARG  22   3.728  -5.745  13.225
  305    HB2  ARG  22           2HB      ARG  22   1.913  -4.327  11.241
  306    HB3  ARG  22           3HB      ARG  22   1.862  -4.285  12.998
  307    HG2  ARG  22           2HG      ARG  22   3.959  -3.094  11.165
  308    HG3  ARG  22           3HG      ARG  22   2.782  -2.232  12.167
  309    HD2  ARG  22           2HD      ARG  22   3.856  -3.050  14.208
  310    HD3  ARG  22           3HD      ARG  22   5.010  -3.998  13.251
  311    HE   ARG  22           HE       ARG  22   5.217  -1.379  12.291
  312   HH11  ARG  22          1HH1      ARG  22   5.918  -2.941  15.394
  313   HH12  ARG  22          2HH1      ARG  22   7.188  -1.812  15.761
  314   HH21  ARG  22          1HH2      ARG  22   6.812   0.003  12.806
  315   HH22  ARG  22          2HH2      ARG  22   7.691  -0.142  14.305
  316    H    GLY  23           H        GLY  23   1.130  -7.965  11.055
  317    HA2  GLY  23           HA2      GLY  23   2.591  -5.837   9.534
  318    HA3  GLY  23           HA3      GLY  23   1.826  -7.279   8.854
  319    H    HIS  24           H        HIS  24   1.277  -4.882   7.777
  320    HA   HIS  24           HA       HIS  24  -0.902  -3.398   8.806
  321    HB2  HIS  24           2HB      HIS  24  -1.059  -2.509   6.509
  322    HB3  HIS  24           3HB      HIS  24   0.592  -2.545   7.116
  323    HD2  HIS  24           HD2      HIS  24   2.350  -3.857   5.755
  324    HE1  HIS  24           HE1      HIS  24  -0.193  -5.569   2.816
  325    HE2  HIS  24           HE2      HIS  24   2.226  -5.222   3.511
  326    H    PHE  25           H        PHE  25  -3.049  -3.119   7.917
  327    HA   PHE  25           HA       PHE  25  -4.471  -5.666   7.889
  328    HB2  PHE  25           2HB      PHE  25  -6.437  -4.286   8.284
  329    HB3  PHE  25           3HB      PHE  25  -5.142  -3.913   9.395
  330    HD1  PHE  25           HD2      PHE  25  -6.858  -2.692   6.283
  331    HD2  PHE  25           HD1      PHE  25  -4.365  -1.670   9.654
  332    HE1  PHE  25           HE2      PHE  25  -7.116  -0.285   5.749
  333    HE2  PHE  25           HE1      PHE  25  -4.656   0.737   9.135
  334    HZ   PHE  25           HZ       PHE  25  -6.039   1.435   7.184
  335    H    TYR  26           H        TYR  26  -3.377  -3.711   5.296
  336    HA   TYR  26           HA       TYR  26  -5.664  -3.718   3.599
  337    HB2  TYR  26           2HB      TYR  26  -3.909  -2.220   3.089
  338    HB3  TYR  26           3HB      TYR  26  -2.698  -3.494   3.136
  339    HD1  TYR  26           HD1      TYR  26  -5.910  -2.975   1.195
  340    HD2  TYR  26           HD2      TYR  26  -1.715  -3.970   1.088
  341    HE1  TYR  26           HE1      TYR  26  -6.081  -3.453  -1.233
  342    HE2  TYR  26           HE2      TYR  26  -1.855  -4.305  -1.358
  343    HH   TYR  26           HH       TYR  26  -4.946  -4.024  -3.159
  344    H    THR  27           H        THR  27  -3.172  -6.171   4.011
  345    HA   THR  27           HA       THR  27  -2.705  -7.575   1.933
  346    HB   THR  27           HB       THR  27  -2.949  -9.759   3.150
  347    HG1  THR  27           HG1      THR  27  -4.755  -9.077   4.419
  348   HG21  THR  27          1HG2      THR  27  -1.632  -7.463   4.676
  349   HG22  THR  27          2HG2      THR  27  -1.252  -9.190   4.815
  350   HG23  THR  27          3HG2      THR  27  -0.918  -8.337   3.299
  351    HA   PRO  28           HA       PRO  28  -6.766  -7.756   0.124
  352    HB2  PRO  28           2HB      PRO  28  -6.149  -7.988  -2.520
  353    HB3  PRO  28           3HB      PRO  28  -5.866  -6.496  -1.571
  354    HG2  PRO  28           2HG      PRO  28  -3.875  -8.698  -2.213
  355    HG3  PRO  28           3HG      PRO  28  -3.666  -6.928  -2.421
  356    HD2  PRO  28           2HD      PRO  28  -2.744  -8.233  -0.225
  357    HD3  PRO  28           3HD      PRO  28  -3.446  -6.589  -0.091
  358    H    LYS  29           H        LYS  29  -4.502 -10.444  -0.138
  359    HA   LYS  29           HA       LYS  29  -6.128 -12.204  -1.702
  360    HB2  LYS  29           2HB      LYS  29  -3.676 -12.397  -1.454
  361    HB3  LYS  29           3HB      LYS  29  -3.863 -12.754   0.257
  362    HG2  LYS  29           2HG      LYS  29  -3.421 -14.791  -0.988
  363    HG3  LYS  29           3HG      LYS  29  -5.010 -14.861  -0.245
  364    HD2  LYS  29           2HD      LYS  29  -5.048 -15.831  -2.476
  365    HD3  LYS  29           3HD      LYS  29  -6.082 -14.403  -2.430
  366    HE2  LYS  29           2HE      LYS  29  -4.278 -13.056  -3.499
  367    HE3  LYS  29           3HE      LYS  29  -3.212 -14.467  -3.483
  368    HZ1  LYS  29           HZ1      LYS  29  -4.776 -15.587  -4.970
  369    HZ2  LYS  29           HZ2      LYS  29  -5.769 -14.286  -4.984
  370    HZ3  LYS  29           HZ3      LYS  29  -4.276 -14.185  -5.640
  371    H    THR  30           H        THR  30  -8.045 -12.935  -1.168
  372    HA   THR  30           HA       THR  30  -9.109 -13.234   1.501
  373    HB   THR  30           HB       THR  30 -10.982 -14.432   0.273
  374    HG1  THR  30           HG1      THR  30  -9.652 -15.057  -1.513
  375   HG21  THR  30          1HG2      THR  30 -11.824 -12.382  -0.782
  376   HG22  THR  30          2HG2      THR  30 -11.063 -12.014   0.776
  377   HG23  THR  30          3HG2      THR  30 -10.201 -11.658  -0.738
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1 -11.510   3.186  -1.352
    2    H2   GLY   1           2H       GLY   1 -11.206   4.287  -0.168
    3    H3   GLY   1           3H       GLY   1 -12.244   3.043   0.104
    4    HA2  GLY   1           HA2      GLY   1 -10.216   2.518   1.202
    5    HA3  GLY   1           HA3      GLY   1 -10.437   1.445  -0.195
    6    H    ILE   2           H        ILE   2  -8.055   1.265   0.251
    7    HA   ILE   2           HA       ILE   2  -6.340   3.550  -0.352
    8    HB   ILE   2           HB       ILE   2  -5.816   2.008   1.432
    9   HG12  ILE   2          2HG1      ILE   2  -3.771   2.032  -0.820
   10   HG13  ILE   2          3HG1      ILE   2  -4.019   3.260   0.419
   11   HG21  ILE   2          1HG2      ILE   2  -6.708  -0.121   0.420
   12   HG22  ILE   2          2HG2      ILE   2  -5.258  -0.192  -0.602
   13   HG23  ILE   2          3HG2      ILE   2  -5.127  -0.277   1.160
   14   HD11  ILE   2          3HD1      ILE   2  -3.427   1.423   2.130
   15   HD12  ILE   2          1HD1      ILE   2  -2.909   0.457   0.734
   16   HD13  ILE   2          2HD1      ILE   2  -2.111   2.000   1.084
   17    H    VAL   3           H        VAL   3  -6.970   0.493  -2.124
   18    HA   VAL   3           HA       VAL   3  -4.804   0.993  -3.944
   19    HB   VAL   3           HB       VAL   3  -5.658  -1.250  -3.297
   20   HG11  VAL   3          1HG1      VAL   3  -8.080  -0.926  -3.603
   21   HG12  VAL   3          2HG1      VAL   3  -7.849  -0.776  -5.360
   22   HG13  VAL   3          3HG1      VAL   3  -7.481  -2.303  -4.535
   23   HG21  VAL   3          3HG2      VAL   3  -4.078  -0.913  -5.191
   24   HG22  VAL   3          1HG2      VAL   3  -5.111  -2.337  -5.387
   25   HG23  VAL   3          2HG2      VAL   3  -5.457  -0.865  -6.310
   26    H    GLU   4           H        GLU   4  -8.137   1.969  -3.990
   27    HA   GLU   4           HA       GLU   4  -8.377   2.736  -6.731
   28    HB2  GLU   4           2HB      GLU   4  -9.643   4.116  -4.331
   29    HB3  GLU   4           3HB      GLU   4 -10.178   4.152  -6.008
   30    HG2  GLU   4           2HG      GLU   4 -11.622   2.563  -5.322
   31    HG3  GLU   4           3HG      GLU   4 -10.282   1.467  -5.635
   32    H    GLN   5           H        GLN   5  -6.498   4.179  -4.129
   33    HA   GLN   5           HA       GLN   5  -5.717   6.408  -5.970
   34    HB2  GLN   5           2HB      GLN   5  -6.056   7.060  -3.593
   35    HB3  GLN   5           3HB      GLN   5  -4.816   5.892  -3.102
   36    HG2  GLN   5           2HG      GLN   5  -3.157   7.088  -4.571
   37    HG3  GLN   5           3HG      GLN   5  -4.395   8.265  -4.991
   38   HE21  GLN   5          2HE2      GLN   5  -1.742   8.679  -3.655
   39   HE22  GLN   5          1HE2      GLN   5  -2.151   9.472  -2.135
   40    H    CYS   6           H        CYS   6  -4.252   3.765  -3.972
   41    HA   CYS   6           HA       CYS   6  -1.737   3.994  -5.366
   42    HB2  CYS   6           2HB      CYS   6  -2.590   1.827  -3.460
   43    HB3  CYS   6           3HB      CYS   6  -0.955   2.315  -3.901
   44    H    CYS   7           H        CYS   7  -3.397   3.502  -7.251
   45    HA   CYS   7           HA       CYS   7  -1.782   1.658  -8.624
   46    HB2  CYS   7           2HB      CYS   7  -3.541   0.044  -7.841
   47    HB3  CYS   7           3HB      CYS   7  -4.747   0.957  -8.733
   48    H    THR   8           H        THR   8  -4.642   3.708  -8.628
   49    HA   THR   8           HA       THR   8  -4.612   4.620 -11.351
   50    HB   THR   8           HB       THR   8  -5.753   5.967  -8.871
   51    HG1  THR   8           HG1      THR   8  -7.414   4.625  -9.012
   52   HG21  THR   8          1HG2      THR   8  -5.937   7.368 -10.886
   53   HG22  THR   8          2HG2      THR   8  -6.616   6.004 -11.802
   54   HG23  THR   8          3HG2      THR   8  -7.526   6.726 -10.456
   55    H    SER   9           H        SER   9  -3.090   5.846  -8.352
   56    HA   SER   9           HA       SER   9  -1.440   7.750  -9.892
   57    HB2  SER   9           2HB      SER   9  -3.632   8.879  -9.326
   58    HB3  SER   9           3HB      SER   9  -3.190   8.719  -7.616
   59    HG   SER   9           HG       SER   9  -2.575  10.765  -8.598
   60    H    ILE  10           H        ILE  10  -0.173   9.111  -8.060
   61    HA   ILE  10           HA       ILE  10   1.705   7.202  -7.025
   62    HB   ILE  10           HB       ILE  10   1.442  10.178  -6.477
   63   HG12  ILE  10          2HG1      ILE  10   1.801   9.678  -8.877
   64   HG13  ILE  10          3HG1      ILE  10   3.125  10.561  -8.140
   65   HG21  ILE  10          1HG2      ILE  10   2.807   9.319  -4.705
   66   HG22  ILE  10          2HG2      ILE  10   3.735   8.281  -5.795
   67   HG23  ILE  10          3HG2      ILE  10   3.902  10.047  -5.873
   68   HD11  ILE  10          3HD1      ILE  10   3.956   8.844  -9.672
   69   HD12  ILE  10          1HD1      ILE  10   4.480   8.495  -8.017
   70   HD13  ILE  10          2HD1      ILE  10   3.134   7.578  -8.749
   71    H    CYS  11           H        CYS  11   1.992   6.247  -5.180
   72    HA   CYS  11           HA       CYS  11   0.868   7.449  -2.702
   73    HB2  CYS  11           2HB      CYS  11   1.011   4.512  -3.425
   74    HB3  CYS  11           3HB      CYS  11   0.888   5.088  -1.754
   75    H    SER  12           H        SER  12   2.158   7.086  -0.814
   76    HA   SER  12           HA       SER  12   5.100   7.114  -1.331
   77    HB2  SER  12           2HB      SER  12   3.601   9.386   0.025
   78    HB3  SER  12           3HB      SER  12   5.278   9.358  -0.514
   79    HG   SER  12           HG       SER  12   4.188  10.534  -2.025
   80    H    LEU  13           H        LEU  13   6.352   7.075   0.700
   81    HA   LEU  13           HA       LEU  13   5.386   5.341   2.632
   82    HB2  LEU  13           2HB      LEU  13   7.333   5.933   3.953
   83    HB3  LEU  13           3HB      LEU  13   7.713   5.756   2.247
   84    HG   LEU  13           HG       LEU  13   7.357   8.486   2.384
   85   HD11  LEU  13          1HD1      LEU  13   7.068   8.410   4.892
   86   HD12  LEU  13          2HD1      LEU  13   8.680   7.689   5.022
   87   HD13  LEU  13          3HD1      LEU  13   8.487   9.335   4.382
   88   HD21  LEU  13          3HD2      LEU  13   9.926   6.956   2.956
   89   HD22  LEU  13          1HD2      LEU  13   9.258   7.330   1.351
   90   HD23  LEU  13          2HD2      LEU  13   9.814   8.642   2.402
   91    H    TYR  14           H        TYR  14   5.269   8.893   2.906
   92    HA   TYR  14           HA       TYR  14   4.207   8.856   5.583
   93    HB2  TYR  14           2HB      TYR  14   3.690  11.288   5.007
   94    HB3  TYR  14           3HB      TYR  14   5.379  10.783   4.944
   95    HD1  TYR  14           HD2      TYR  14   2.414  11.729   2.916
   96    HD2  TYR  14           HD1      TYR  14   6.630  10.828   2.872
   97    HE1  TYR  14           HE2      TYR  14   2.533  12.457   0.555
   98    HE2  TYR  14           HE1      TYR  14   6.774  11.592   0.518
   99    HH   TYR  14           HH       TYR  14   3.916  12.866  -1.261
  100    H    GLN  15           H        GLN  15   2.694   8.511   2.497
  101    HA   GLN  15           HA       GLN  15  -0.088   9.098   3.437
  102    HB2  GLN  15           2HB      GLN  15   1.155   8.084   0.846
  103    HB3  GLN  15           3HB      GLN  15  -0.589   8.274   1.089
  104    HG2  GLN  15           2HG      GLN  15  -0.152  10.739   1.489
  105    HG3  GLN  15           3HG      GLN  15   1.499  10.425   0.933
  106   HE21  GLN  15          2HE2      GLN  15   1.844   9.844  -1.415
  107   HE22  GLN  15          1HE2      GLN  15   0.510  10.077  -2.521
  108    H    LEU  16           H        LEU  16   1.968   6.319   2.440
  109    HA   LEU  16           HA       LEU  16   0.034   4.292   2.924
  110    HB2  LEU  16           2HB      LEU  16   3.047   4.378   2.778
  111    HB3  LEU  16           3HB      LEU  16   2.188   2.863   2.995
  112    HG   LEU  16           HG       LEU  16   1.903   4.716   0.589
  113   HD11  LEU  16          1HD1      LEU  16   3.110   2.867  -0.584
  114   HD12  LEU  16          2HD1      LEU  16   4.072   3.642   0.681
  115   HD13  LEU  16          3HD1      LEU  16   3.341   2.045   0.978
  116   HD21  LEU  16          3HD2      LEU  16  -0.190   3.481   0.917
  117   HD22  LEU  16          1HD2      LEU  16   0.698   2.823  -0.459
  118   HD23  LEU  16          2HD2      LEU  16   0.718   1.958   1.091
  119    H    GLU  17           H        GLU  17   2.348   5.841   5.152
  120    HA   GLU  17           HA       GLU  17   2.188   4.035   7.269
  121    HB2  GLU  17           2HB      GLU  17   3.642   6.098   7.031
  122    HB3  GLU  17           3HB      GLU  17   2.280   7.038   7.651
  123    HG2  GLU  17           2HG      GLU  17   2.294   5.657   9.724
  124    HG3  GLU  17           3HG      GLU  17   3.577   4.651   9.059
  125    H    ASN  18           H        ASN  18  -0.280   6.275   6.214
  126    HA   ASN  18           HA       ASN  18  -1.893   6.308   8.583
  127    HB2  ASN  18           2HB      ASN  18  -2.611   6.676   5.641
  128    HB3  ASN  18           3HB      ASN  18  -3.693   7.005   6.961
  129   HD21  ASN  18          2HD2      ASN  18  -1.097   8.233   5.115
  130   HD22  ASN  18          1HD2      ASN  18  -0.842   9.732   6.014
  131    H    TYR  19           H        TYR  19  -1.356   3.716   6.364
  132    HA   TYR  19           HA       TYR  19  -3.798   2.298   7.320
  133    HB2  TYR  19           2HB      TYR  19  -2.072   1.457   5.003
  134    HB3  TYR  19           3HB      TYR  19  -3.701   0.934   5.388
  135    HD1  TYR  19           HD2      TYR  19  -5.657   2.551   4.999
  136    HD2  TYR  19           HD1      TYR  19  -1.641   3.398   3.748
  137    HE1  TYR  19           HE2      TYR  19  -6.506   4.347   3.502
  138    HE2  TYR  19           HE1      TYR  19  -2.450   5.213   2.262
  139    HH   TYR  19           HH       TYR  19  -5.961   5.998   1.992
  140    H    CYS  20           H        CYS  20  -0.747   2.645   8.387
  141    HA   CYS  20           HA       CYS  20   0.075  -0.121   8.722
  142    HB2  CYS  20           2HB      CYS  20   0.942   2.464  10.038
  143    HB3  CYS  20           3HB      CYS  20   1.659   0.906  10.343
  144    H    ASN  21           H        ASN  21   0.046  -1.364  10.617
  145    HA   ASN  21           HA       ASN  21  -2.316  -1.166  12.276
  146    HB2  ASN  21           2HB      ASN  21   0.198  -2.871  12.446
  147    HB3  ASN  21           3HB      ASN  21  -1.159  -3.042  13.552
  148   HD21  ASN  21          1HD2      ASN  21  -0.211  -5.145  11.912
  149   HD22  ASN  21          2HD2      ASN  21  -1.533  -5.567  10.825
  150    H1   PHE   1           H        PHE   1  11.558   2.205  -0.866
  151    HA   PHE   1           HA       PHE   1  11.648   1.848  -3.757
  152    HB2  PHE   1           2HB      PHE   1   9.294   1.569  -4.116
  153    HB3  PHE   1           3HB      PHE   1   9.883   0.277  -3.090
  154    HD1  PHE   1           HD1      PHE   1   9.485   0.424  -0.583
  155    HD2  PHE   1           HD2      PHE   1   7.567   3.036  -3.402
  156    HE1  PHE   1           HE1      PHE   1   7.797   1.048   1.150
  157    HE2  PHE   1           HE2      PHE   1   5.866   3.655  -1.687
  158    HZ   PHE   1           HZ       PHE   1   6.006   2.665   0.592
  159    H    VAL   2           H        VAL   2  10.980   3.653  -4.936
  160    HA   VAL   2           HA       VAL   2  10.756   6.243  -3.490
  161    HB   VAL   2           HB       VAL   2  10.945   5.694  -6.476
  162   HG11  VAL   2          1HG1      VAL   2  11.253   8.287  -4.895
  163   HG12  VAL   2          2HG1      VAL   2  11.706   8.094  -6.602
  164   HG13  VAL   2          3HG1      VAL   2  10.022   7.921  -6.128
  165   HG21  VAL   2          3HG2      VAL   2  13.327   6.424  -6.261
  166   HG22  VAL   2          1HG2      VAL   2  13.138   6.482  -4.496
  167   HG23  VAL   2          2HG2      VAL   2  13.021   4.937  -5.368
  168    H    ASN   3           H        ASN   3   8.988   7.662  -3.820
  169    HA   ASN   3           HA       ASN   3   6.343   6.777  -3.890
  170    HB2  ASN   3           2HB      ASN   3   7.407   9.441  -4.871
  171    HB3  ASN   3           3HB      ASN   3   5.757   9.101  -4.357
  172   HD21  ASN   3          2HD2      ASN   3   7.289  11.179  -3.217
  173   HD22  ASN   3          1HD2      ASN   3   7.634  10.751  -1.553
  174    H    GLN   4           H        GLN   4   5.016   5.951  -5.318
  175    HA   GLN   4           HA       GLN   4   5.201   6.355  -8.197
  176    HB2  GLN   4           2HB      GLN   4   5.929   4.179  -8.827
  177    HB3  GLN   4           3HB      GLN   4   7.144   4.865  -7.761
  178    HG2  GLN   4           2HG      GLN   4   6.108   3.509  -5.856
  179    HG3  GLN   4           3HG      GLN   4   5.064   2.745  -7.059
  180   HE21  GLN   4          2HE2      GLN   4   8.477   3.223  -6.113
  181   HE22  GLN   4          1HE2      GLN   4   9.069   1.786  -6.962
  182    H    HIS   5           H        HIS   5   3.692   4.669  -9.322
  183    HA   HIS   5           HA       HIS   5   1.157   5.167  -8.133
  184    HB2  HIS   5           2HB      HIS   5   1.896   3.475 -10.545
  185    HB3  HIS   5           3HB      HIS   5   0.277   4.048 -10.142
  186    HD2  HIS   5           HD2      HIS   5   3.466   5.150 -11.845
  187    HE1  HIS   5           HE1      HIS   5   1.044   8.643 -11.644
  188    HE2  HIS   5           HE2      HIS   5   3.159   7.634 -12.647
  189    H    LEU   6           H        LEU   6   3.071   2.215  -8.248
  190    HA   LEU   6           HA       LEU   6   2.815   0.071  -7.424
  191    HB2  LEU   6           2HB      LEU   6   0.888   1.346  -5.442
  192    HB3  LEU   6           3HB      LEU   6   1.672  -0.212  -5.268
  193    HG   LEU   6           HG       LEU   6   3.167   2.445  -5.330
  194   HD11  LEU   6          1HD1      LEU   6   3.420   2.091  -2.905
  195   HD12  LEU   6          2HD1      LEU   6   1.711   2.238  -3.355
  196   HD13  LEU   6          3HD1      LEU   6   2.397   0.638  -3.008
  197   HD21  LEU   6          3HD2      LEU   6   4.576   0.530  -6.061
  198   HD22  LEU   6          1HD2      LEU   6   5.064   1.107  -4.463
  199   HD23  LEU   6          2HD2      LEU   6   4.097  -0.375  -4.610
  200    H    CYS   7           H        CYS   7   0.776  -1.408  -6.516
  201    HA   CYS   7           HA       CYS   7  -1.808  -1.138  -7.284
  202    HB2  CYS   7           2HB      CYS   7  -0.690  -1.504  -9.726
  203    HB3  CYS   7           3HB      CYS   7  -0.778  -3.176  -9.231
  204    H    GLY   8           H        GLY   8  -2.681  -3.809  -7.594
  205    HA2  GLY   8           HA2      GLY   8  -1.611  -5.192  -5.202
  206    HA3  GLY   8           HA3      GLY   8  -2.942  -5.747  -6.234
  207    H    SER   9           H        SER   9   0.393  -7.627  -6.987
  208    HA   SER   9           HA       SER   9  -0.775  -6.993  -4.373
  209    HB2  SER   9           2HB      SER   9   1.619  -8.686  -5.148
  210    HB3  SER   9           3HB      SER   9   0.823  -8.640  -3.564
  211    HG   SER   9           HG       SER   9   0.104 -10.414  -4.875
  212    H    HIS  10           H        HIS  10   1.687  -5.495  -6.227
  213    HA   HIS  10           HA       HIS  10   3.862  -4.969  -4.735
  214    HB2  HIS  10           2HB      HIS  10   2.995  -4.066  -7.061
  215    HB3  HIS  10           3HB      HIS  10   2.440  -2.682  -6.128
  216    HD2  HIS  10           HD2      HIS  10   5.529  -3.264  -4.389
  217    HE1  HIS  10           HE1      HIS  10   6.843  -1.254  -7.894
  218    HE2  HIS  10           HE2      HIS  10   7.496  -1.972  -5.539
  219    H    LEU  11           H        LEU  11   0.773  -3.311  -4.248
  220    HA   LEU  11           HA       LEU  11   1.510  -1.362  -2.356
  221    HB2  LEU  11           2HB      LEU  11  -0.561  -1.477  -3.691
  222    HB3  LEU  11           3HB      LEU  11  -1.100  -2.886  -2.783
  223    HG   LEU  11           HG       LEU  11  -1.346  -1.521  -0.748
  224   HD11  LEU  11          1HD1      LEU  11  -0.238   0.726  -2.486
  225   HD12  LEU  11          2HD1      LEU  11  -1.100   0.998  -0.958
  226   HD13  LEU  11          3HD1      LEU  11   0.430   0.118  -0.958
  227   HD21  LEU  11          3HD2      LEU  11  -3.223  -1.679  -2.315
  228   HD22  LEU  11          1HD2      LEU  11  -3.183  -0.056  -1.619
  229   HD23  LEU  11          2HD2      LEU  11  -2.593  -0.332  -3.269
  230    H    VAL  12           H        VAL  12   0.848  -4.816  -1.836
  231    HA   VAL  12           HA       VAL  12   0.702  -4.663   1.079
  232    HB   VAL  12           HB       VAL  12   1.416  -6.991  -0.782
  233   HG11  VAL  12          1HG1      VAL  12   2.255  -7.528   1.453
  234   HG12  VAL  12          2HG1      VAL  12   0.670  -7.157   2.162
  235   HG13  VAL  12          3HG1      VAL  12   0.859  -8.523   1.054
  236   HG21  VAL  12          3HG2      VAL  12  -0.872  -6.206  -1.185
  237   HG22  VAL  12          1HG2      VAL  12  -0.895  -7.773  -0.384
  238   HG23  VAL  12          2HG2      VAL  12  -1.228  -6.300   0.558
  239    H    GLU  13           H        GLU  13   3.245  -5.223  -1.311
  240    HA   GLU  13           HA       GLU  13   5.379  -5.759   0.549
  241    HB2  GLU  13           2HB      GLU  13   5.737  -4.630  -2.253
  242    HB3  GLU  13           3HB      GLU  13   6.845  -5.616  -1.305
  243    HG2  GLU  13           2HG      GLU  13   5.059  -7.472  -1.435
  244    HG3  GLU  13           3HG      GLU  13   4.254  -6.479  -2.659
  245    H    ALA  14           H        ALA  14   4.300  -2.809  -1.177
  246    HA   ALA  14           HA       ALA  14   6.234  -0.993  -0.123
  247    HB1  ALA  14           3HB      ALA  14   4.596   0.718  -0.827
  248    HB2  ALA  14           1HB      ALA  14   4.782  -0.527  -2.085
  249    HB3  ALA  14           2HB      ALA  14   3.349  -0.526  -1.025
  250    H    LEU  15           H        LEU  15   2.857  -1.687   1.001
  251    HA   LEU  15           HA       LEU  15   2.980  -0.100   3.336
  252    HB2  LEU  15           2HB      LEU  15   1.393  -2.579   2.626
  253    HB3  LEU  15           3HB      LEU  15   1.285  -1.813   4.219
  254    HG   LEU  15           HG       LEU  15   0.724  -0.271   1.703
  255   HD11  LEU  15          1HD1      LEU  15  -0.814  -2.178   1.838
  256   HD12  LEU  15          2HD1      LEU  15  -1.215  -1.757   3.521
  257   HD13  LEU  15          3HD1      LEU  15  -1.672  -0.674   2.202
  258   HD21  LEU  15          3HD2      LEU  15  -0.083   0.176   4.621
  259   HD22  LEU  15          1HD2      LEU  15   1.219   1.042   3.800
  260   HD23  LEU  15          2HD2      LEU  15  -0.448   1.248   3.248
  261    H    TYR  16           H        TYR  16   3.928  -3.593   2.979
  262    HA   TYR  16           HA       TYR  16   4.745  -3.894   5.689
  263    HB2  TYR  16           2HB      TYR  16   4.497  -5.835   4.323
  264    HB3  TYR  16           3HB      TYR  16   5.644  -5.235   3.123
  265    HD1  TYR  16           HD2      TYR  16   5.412  -6.226   6.740
  266    HD2  TYR  16           HD1      TYR  16   7.953  -5.696   3.300
  267    HE1  TYR  16           HE2      TYR  16   7.353  -7.082   8.046
  268    HE2  TYR  16           HE1      TYR  16   9.898  -6.533   4.593
  269    HH   TYR  16           HH       TYR  16  10.642  -7.347   6.626
  270    H    LEU  17           H        LEU  17   6.649  -2.622   2.893
  271    HA   LEU  17           HA       LEU  17   9.090  -2.371   4.437
  272    HB2  LEU  17           2HB      LEU  17   8.132  -1.203   1.810
  273    HB3  LEU  17           3HB      LEU  17   9.731  -0.854   2.470
  274    HG   LEU  17           HG       LEU  17   8.754  -3.683   1.886
  275   HD11  LEU  17          1HD1      LEU  17  10.509  -1.841   0.210
  276   HD12  LEU  17          2HD1      LEU  17  10.136  -3.543  -0.148
  277   HD13  LEU  17          3HD1      LEU  17   8.844  -2.330  -0.179
  278   HD21  LEU  17          3HD2      LEU  17  11.532  -2.570   2.474
  279   HD22  LEU  17          1HD2      LEU  17  10.584  -3.650   3.522
  280   HD23  LEU  17          2HD2      LEU  17  11.175  -4.234   1.966
  281    H    VAL  18           H        VAL  18   6.382  -0.159   3.911
  282    HA   VAL  18           HA       VAL  18   7.574   2.109   5.304
  283    HB   VAL  18           HB       VAL  18   4.675   1.347   4.767
  284   HG11  VAL  18          1HG1      VAL  18   4.130   3.741   5.176
  285   HG12  VAL  18          2HG1      VAL  18   4.682   2.943   6.648
  286   HG13  VAL  18          3HG1      VAL  18   5.784   4.019   5.759
  287   HG21  VAL  18          3HG2      VAL  18   6.493   3.429   3.436
  288   HG22  VAL  18          1HG2      VAL  18   6.137   1.849   2.747
  289   HG23  VAL  18          2HG2      VAL  18   4.835   3.006   2.955
  290    H    CYS  19           H        CYS  19   5.096  -0.266   6.261
  291    HA   CYS  19           HA       CYS  19   4.797   0.642   8.951
  292    HB2  CYS  19           2HB      CYS  19   3.972  -1.844   7.421
  293    HB3  CYS  19           3HB      CYS  19   3.339  -1.439   9.007
  294    H    GLY  20           H        GLY  20   6.913  -1.823   7.612
  295    HA2  GLY  20           HA2      GLY  20   8.552  -3.125   8.632
  296    HA3  GLY  20           HA3      GLY  20   8.112  -2.434  10.213
  297    H    GLU  21           H        GLU  21   8.454  -4.676  10.887
  298    HA   GLU  21           HA       GLU  21   6.643  -6.770  10.171
  299    HB2  GLU  21           2HB      GLU  21   7.512  -7.910  12.234
  300    HB3  GLU  21           3HB      GLU  21   8.649  -7.497  10.966
  301    HG2  GLU  21           2HG      GLU  21   9.641  -7.094  13.119
  302    HG3  GLU  21           3HG      GLU  21   9.480  -5.595  12.216
  303    H    ARG  22           H        ARG  22   5.958  -3.999  11.977
  304    HA   ARG  22           HA       ARG  22   3.844  -4.972  13.682
  305    HB2  ARG  22           2HB      ARG  22   4.062  -2.295  12.236
  306    HB3  ARG  22           3HB      ARG  22   2.987  -2.669  13.574
  307    HG2  ARG  22           2HG      ARG  22   6.018  -2.433  13.682
  308    HG3  ARG  22           3HG      ARG  22   4.808  -1.365  14.389
  309    HD2  ARG  22           2HD      ARG  22   4.035  -3.467  15.729
  310    HD3  ARG  22           3HD      ARG  22   5.597  -4.158  15.283
  311    HE   ARG  22           HE       ARG  22   5.025  -2.019  17.191
  312   HH11  ARG  22          1HH1      ARG  22   7.681  -3.417  15.264
  313   HH12  ARG  22          2HH1      ARG  22   8.881  -2.672  16.282
  314   HH21  ARG  22          1HH2      ARG  22   6.639  -1.137  18.437
  315   HH22  ARG  22          2HH2      ARG  22   8.307  -1.421  18.045
  316    H    GLY  23           H        GLY  23   4.043  -4.313  10.220
  317    HA2  GLY  23           HA2      GLY  23   2.699  -5.023   8.485
  318    HA3  GLY  23           HA3      GLY  23   1.643  -5.825   9.660
  319    H    HIS  24           H        HIS  24   0.064  -5.167   8.112
  320    HA   HIS  24           HA       HIS  24  -1.228  -2.572   8.682
  321    HB2  HIS  24           2HB      HIS  24  -1.426  -2.135   6.224
  322    HB3  HIS  24           3HB      HIS  24   0.214  -2.017   6.840
  323    HD2  HIS  24           HD2      HIS  24   2.027  -3.665   5.913
  324    HE1  HIS  24           HE1      HIS  24  -0.386  -5.481   2.920
  325    HE2  HIS  24           HE2      HIS  24   1.990  -5.223   3.786
  326    H    PHE  25           H        PHE  25  -3.425  -2.458   7.875
  327    HA   PHE  25           HA       PHE  25  -4.780  -5.056   8.134
  328    HB2  PHE  25           2HB      PHE  25  -6.799  -3.640   8.412
  329    HB3  PHE  25           3HB      PHE  25  -5.517  -3.325   9.560
  330    HD1  PHE  25           HD2      PHE  25  -6.839  -2.024   6.257
  331    HD2  PHE  25           HD1      PHE  25  -4.885  -1.113   9.997
  332    HE1  PHE  25           HE2      PHE  25  -6.918   0.389   5.714
  333    HE2  PHE  25           HE1      PHE  25  -5.029   1.305   9.477
  334    HZ   PHE  25           HZ       PHE  25  -6.092   2.065   7.358
  335    H    TYR  26           H        TYR  26  -3.782  -3.249   5.423
  336    HA   TYR  26           HA       TYR  26  -6.058  -3.442   3.728
  337    HB2  TYR  26           2HB      TYR  26  -4.318  -1.955   3.115
  338    HB3  TYR  26           3HB      TYR  26  -3.089  -3.207   3.250
  339    HD1  TYR  26           HD2      TYR  26  -6.329  -2.866   1.315
  340    HD2  TYR  26           HD1      TYR  26  -2.131  -3.846   1.239
  341    HE1  TYR  26           HE2      TYR  26  -6.521  -3.528  -1.072
  342    HE2  TYR  26           HE1      TYR  26  -2.291  -4.379  -1.167
  343    HH   TYR  26           HH       TYR  26  -3.687  -4.591  -3.001
  344    H    THR  27           H        THR  27  -3.511  -5.785   4.349
  345    HA   THR  27           HA       THR  27  -3.016  -7.470   2.526
  346    HB   THR  27           HB       THR  27  -3.378  -9.471   3.998
  347    HG1  THR  27           HG1      THR  27  -5.219  -8.607   5.083
  348   HG21  THR  27          1HG2      THR  27  -1.745  -8.726   5.661
  349   HG22  THR  27          2HG2      THR  27  -1.316  -8.090   4.064
  350   HG23  THR  27          3HG2      THR  27  -2.067  -7.026   5.275
  351    HA   PRO  28           HA       PRO  28  -7.046  -7.762   0.591
  352    HB2  PRO  28           2HB      PRO  28  -6.320  -8.269  -1.996
  353    HB3  PRO  28           3HB      PRO  28  -6.131  -6.672  -1.204
  354    HG2  PRO  28           2HG      PRO  28  -4.043  -8.851  -1.537
  355    HG3  PRO  28           3HG      PRO  28  -3.883  -7.104  -1.904
  356    HD2  PRO  28           2HD      PRO  28  -3.008  -8.160   0.439
  357    HD3  PRO  28           3HD      PRO  28  -3.775  -6.540   0.393
  358    H    LYS  29           H        LYS  29  -8.468  -9.333  -0.351
  359    HA   LYS  29           HA       LYS  29  -7.920 -12.107   0.300
  360    HB2  LYS  29           2HB      LYS  29 -10.139 -11.039   0.533
  361    HB3  LYS  29           3HB      LYS  29 -10.229 -10.827  -1.223
  362    HG2  LYS  29           2HG      LYS  29 -10.165 -13.285  -1.533
  363    HG3  LYS  29           3HG      LYS  29  -9.993 -13.507   0.221
  364    HD2  LYS  29           2HD      LYS  29 -12.223 -12.466   0.573
  365    HD3  LYS  29           3HD      LYS  29 -12.354 -12.156  -1.162
  366    HE2  LYS  29           2HE      LYS  29 -13.675 -14.092  -0.691
  367    HE3  LYS  29           3HE      LYS  29 -12.259 -14.611  -1.609
  368    HZ1  LYS  29           HZ1      LYS  29 -11.267 -15.369   0.481
  369    HZ2  LYS  29           HZ2      LYS  29 -12.562 -14.850   1.339
  370    HZ3  LYS  29           HZ3      LYS  29 -12.723 -16.077   0.275
  371    H    THR  30           H        THR  30  -6.916 -13.559  -0.890
  372    HA   THR  30           HA       THR  30  -6.033 -13.136  -3.625
  373    HB   THR  30           HB       THR  30  -5.188 -15.513  -3.373
  374    HG1  THR  30           HG1      THR  30  -6.719 -16.068  -1.727
  375   HG21  THR  30          1HG2      THR  30  -4.348 -13.505  -1.233
  376   HG22  THR  30          2HG2      THR  30  -3.397 -14.890  -1.813
  377   HG23  THR  30          3HG2      THR  30  -3.764 -13.548  -2.911
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1 -11.114   3.422  -2.643
    2    H2   GLY   1           2H       GLY   1 -10.618   4.771  -1.857
    3    H3   GLY   1           3H       GLY   1 -12.009   4.026  -1.415
    4    HA2  GLY   1           HA2      GLY   1 -10.325   3.540   0.207
    5    HA3  GLY   1           HA3      GLY   1 -10.807   2.077  -0.668
    6    H    ILE   2           H        ILE   2  -8.582   1.625   0.417
    7    HA   ILE   2           HA       ILE   2  -6.143   2.646  -0.661
    8    HB   ILE   2           HB       ILE   2  -6.336   1.640   1.530
    9   HG12  ILE   2          2HG1      ILE   2  -4.425   0.171   1.659
   10   HG13  ILE   2          3HG1      ILE   2  -4.449  -0.134  -0.074
   11   HG21  ILE   2          1HG2      ILE   2  -6.897  -1.002   0.129
   12   HG22  ILE   2          2HG2      ILE   2  -6.590  -0.800   1.868
   13   HG23  ILE   2          3HG2      ILE   2  -8.025  -0.088   1.149
   14   HD11  ILE   2          3HD1      ILE   2  -2.728   1.548   0.778
   15   HD12  ILE   2          1HD1      ILE   2  -3.745   2.135  -0.546
   16   HD13  ILE   2          2HD1      ILE   2  -4.079   2.643   1.115
   17    H    VAL   3           H        VAL   3  -8.167   0.103  -1.978
   18    HA   VAL   3           HA       VAL   3  -6.140  -0.768  -3.886
   19    HB   VAL   3           HB       VAL   3  -8.117  -2.063  -2.998
   20   HG11  VAL   3          1HG1      VAL   3 -10.222  -2.041  -4.174
   21   HG12  VAL   3          2HG1      VAL   3  -9.904  -0.430  -3.512
   22   HG13  VAL   3          3HG1      VAL   3  -9.673  -0.741  -5.247
   23   HG21  VAL   3          3HG2      VAL   3  -7.715  -2.230  -6.011
   24   HG22  VAL   3          1HG2      VAL   3  -6.616  -2.907  -4.789
   25   HG23  VAL   3          2HG2      VAL   3  -8.275  -3.512  -4.926
   26    H    GLU   4           H        GLU   4  -7.650   2.087  -3.654
   27    HA   GLU   4           HA       GLU   4  -7.378   2.727  -6.579
   28    HB2  GLU   4           2HB      GLU   4  -9.201   4.058  -4.537
   29    HB3  GLU   4           3HB      GLU   4  -8.983   4.561  -6.209
   30    HG2  GLU   4           2HG      GLU   4 -10.026   2.553  -7.045
   31    HG3  GLU   4           3HG      GLU   4 -10.030   1.799  -5.449
   32    H    GLN   5           H        GLN   5  -7.403   4.452  -3.379
   33    HA   GLN   5           HA       GLN   5  -5.468   6.430  -4.248
   34    HB2  GLN   5           2HB      GLN   5  -6.400   5.634  -1.452
   35    HB3  GLN   5           3HB      GLN   5  -5.374   7.023  -1.833
   36    HG2  GLN   5           2HG      GLN   5  -7.218   7.898  -3.334
   37    HG3  GLN   5           3HG      GLN   5  -8.259   6.607  -2.719
   38   HE21  GLN   5          2HE2      GLN   5  -8.202   6.537  -0.079
   39   HE22  GLN   5          1HE2      GLN   5  -8.395   8.130   0.633
   40    H    CYS   6           H        CYS   6  -3.333   6.276  -4.324
   41    HA   CYS   6           HA       CYS   6  -1.198   5.575  -4.170
   42    HB2  CYS   6           2HB      CYS   6  -1.973   3.658  -1.948
   43    HB3  CYS   6           3HB      CYS   6  -0.364   4.157  -2.421
   44    H    CYS   7           H        CYS   7  -3.731   3.345  -4.842
   45    HA   CYS   7           HA       CYS   7  -1.941   1.342  -6.071
   46    HB2  CYS   7           2HB      CYS   7  -4.432   1.224  -4.956
   47    HB3  CYS   7           3HB      CYS   7  -4.857   1.300  -6.652
   48    H    THR   8           H        THR   8  -4.601   3.430  -7.328
   49    HA   THR   8           HA       THR   8  -3.346   3.482 -10.030
   50    HB   THR   8           HB       THR   8  -5.589   4.232 -10.790
   51    HG1  THR   8           HG1      THR   8  -7.286   4.146  -9.334
   52   HG21  THR   8          1HG2      THR   8  -6.703   2.082 -10.564
   53   HG22  THR   8          2HG2      THR   8  -4.968   1.815 -10.789
   54   HG23  THR   8          3HG2      THR   8  -5.691   1.642  -9.175
   55    H    SER   9           H        SER   9  -2.696   5.180  -7.559
   56    HA   SER   9           HA       SER   9  -2.056   7.528  -9.125
   57    HB2  SER   9           2HB      SER   9  -4.283   8.116  -8.088
   58    HB3  SER   9           3HB      SER   9  -3.513   7.967  -6.496
   59    HG   SER   9           HG       SER   9  -3.512  10.148  -7.351
   60    H    ILE  10           H        ILE  10  -0.578   8.994  -7.697
   61    HA   ILE  10           HA       ILE  10   1.545   7.132  -6.830
   62    HB   ILE  10           HB       ILE  10   1.698  10.149  -7.184
   63   HG12  ILE  10          2HG1      ILE  10   0.966   9.288  -9.327
   64   HG13  ILE  10          3HG1      ILE  10   2.638   9.797  -9.410
   65   HG21  ILE  10          1HG2      ILE  10   3.574   9.305  -5.916
   66   HG22  ILE  10          2HG2      ILE  10   3.832   7.975  -7.061
   67   HG23  ILE  10          3HG2      ILE  10   4.139   9.657  -7.548
   68   HD11  ILE  10          3HD1      ILE  10   3.385   7.438  -9.302
   69   HD12  ILE  10          1HD1      ILE  10   1.684   6.907  -9.215
   70   HD13  ILE  10          2HD1      ILE  10   2.293   7.728 -10.662
   71    H    CYS  11           H        CYS  11   2.341   6.884  -4.812
   72    HA   CYS  11           HA       CYS  11   1.822   8.928  -2.724
   73    HB2  CYS  11           2HB      CYS  11   1.271   5.956  -2.468
   74    HB3  CYS  11           3HB      CYS  11   1.473   7.016  -1.080
   75    H    SER  12           H        SER  12   3.274   8.988  -1.044
   76    HA   SER  12           HA       SER  12   5.783   7.335  -1.200
   77    HB2  SER  12           2HB      SER  12   5.256  10.142  -0.196
   78    HB3  SER  12           3HB      SER  12   6.781   9.284   0.079
   79    HG   SER  12           HG       SER  12   6.757  10.709  -1.787
   80    H    LEU  13           H        LEU  13   6.876   7.381   1.096
   81    HA   LEU  13           HA       LEU  13   5.566   5.606   2.721
   82    HB2  LEU  13           2HB      LEU  13   7.346   6.014   4.332
   83    HB3  LEU  13           3HB      LEU  13   7.937   5.955   2.681
   84    HG   LEU  13           HG       LEU  13   7.657   8.674   2.978
   85   HD11  LEU  13          1HD1      LEU  13   7.028   8.436   5.417
   86   HD12  LEU  13          2HD1      LEU  13   8.592   7.661   5.703
   87   HD13  LEU  13          3HD1      LEU  13   8.518   9.350   5.155
   88   HD21  LEU  13          3HD2      LEU  13   9.646   7.513   2.132
   89   HD22  LEU  13          1HD2      LEU  13  10.092   8.724   3.343
   90   HD23  LEU  13          2HD2      LEU  13  10.071   7.001   3.781
   91    H    TYR  14           H        TYR  14   5.520   9.138   3.265
   92    HA   TYR  14           HA       TYR  14   4.199   8.938   5.818
   93    HB2  TYR  14           2HB      TYR  14   3.814  11.425   5.394
   94    HB3  TYR  14           3HB      TYR  14   5.483  10.858   5.453
   95    HD1  TYR  14           HD1      TYR  14   2.747  11.950   3.179
   96    HD2  TYR  14           HD2      TYR  14   6.945  11.053   3.553
   97    HE1  TYR  14           HE1      TYR  14   3.110  12.745   0.859
   98    HE2  TYR  14           HE2      TYR  14   7.344  11.933   1.271
   99    HH   TYR  14           HH       TYR  14   4.677  13.220  -0.779
  100    H    GLN  15           H        GLN  15   2.978   8.867   2.585
  101    HA   GLN  15           HA       GLN  15   0.131   9.404   3.323
  102    HB2  GLN  15           2HB      GLN  15   1.665   8.659   0.813
  103    HB3  GLN  15           3HB      GLN  15  -0.096   8.617   0.850
  104    HG2  GLN  15           2HG      GLN  15  -0.281  10.958   1.148
  105    HG3  GLN  15           3HG      GLN  15   1.431  11.131   1.527
  106   HE21  GLN  15          2HE2      GLN  15  -0.850  11.226  -1.078
  107   HE22  GLN  15          1HE2      GLN  15   0.334  11.176  -2.373
  108    H    LEU  16           H        LEU  16   2.242   6.652   2.298
  109    HA   LEU  16           HA       LEU  16   0.289   4.615   2.584
  110    HB2  LEU  16           2HB      LEU  16   3.306   4.711   2.730
  111    HB3  LEU  16           3HB      LEU  16   2.442   3.189   2.876
  112    HG   LEU  16           HG       LEU  16   2.330   5.028   0.445
  113   HD11  LEU  16          1HD1      LEU  16   3.800   2.384   0.929
  114   HD12  LEU  16          2HD1      LEU  16   3.695   3.238  -0.627
  115   HD13  LEU  16          3HD1      LEU  16   4.532   3.999   0.733
  116   HD21  LEU  16          3HD2      LEU  16   1.223   2.225   0.903
  117   HD22  LEU  16          1HD2      LEU  16   0.263   3.698   0.626
  118   HD23  LEU  16          2HD2      LEU  16   1.282   3.056  -0.666
  119    H    GLU  17           H        GLU  17   2.410   6.071   5.063
  120    HA   GLU  17           HA       GLU  17   2.019   4.213   7.092
  121    HB2  GLU  17           2HB      GLU  17   3.533   6.255   7.034
  122    HB3  GLU  17           3HB      GLU  17   2.150   7.203   7.585
  123    HG2  GLU  17           2HG      GLU  17   1.989   5.762   9.613
  124    HG3  GLU  17           3HG      GLU  17   3.304   4.754   9.013
  125    H    ASN  18           H        ASN  18  -0.319   6.529   5.913
  126    HA   ASN  18           HA       ASN  18  -2.117   6.543   8.150
  127    HB2  ASN  18           2HB      ASN  18  -2.607   6.961   5.170
  128    HB3  ASN  18           3HB      ASN  18  -3.792   7.263   6.412
  129   HD21  ASN  18          2HD2      ASN  18  -1.029   8.510   4.820
  130   HD22  ASN  18          1HD2      ASN  18  -0.864   9.999   5.757
  131    H    TYR  19           H        TYR  19  -1.414   3.978   5.945
  132    HA   TYR  19           HA       TYR  19  -3.932   2.549   6.676
  133    HB2  TYR  19           2HB      TYR  19  -2.037   1.743   4.483
  134    HB3  TYR  19           3HB      TYR  19  -3.702   1.251   4.720
  135    HD1  TYR  19           HD1      TYR  19  -5.570   2.997   4.330
  136    HD2  TYR  19           HD2      TYR  19  -1.469   3.654   3.212
  137    HE1  TYR  19           HE1      TYR  19  -6.272   4.869   2.848
  138    HE2  TYR  19           HE2      TYR  19  -2.136   5.551   1.772
  139    HH   TYR  19           HH       TYR  19  -5.586   6.545   1.427
  140    H    CYS  20           H        CYS  20  -0.969   2.891   7.977
  141    HA   CYS  20           HA       CYS  20  -0.286   0.091   8.439
  142    HB2  CYS  20           2HB      CYS  20   0.687   2.696   9.642
  143    HB3  CYS  20           3HB      CYS  20   1.286   1.127  10.093
  144    H    ASN  21           H        ASN  21  -0.097  -0.716  10.735
  145    HA   ASN  21           HA       ASN  21  -2.632  -0.939  11.953
  146    HB2  ASN  21           2HB      ASN  21   0.129  -1.478  13.138
  147    HB3  ASN  21           3HB      ASN  21  -1.394  -2.050  13.803
  148   HD21  ASN  21          1HD2      ASN  21  -2.548  -3.721  12.686
  149   HD22  ASN  21          2HD2      ASN  21  -1.756  -4.683  11.436
  150    H1   PHE   1           H        PHE   1  11.948   1.324  -2.067
  151    HA   PHE   1           HA       PHE   1  11.121   0.380  -4.640
  152    HB2  PHE   1           2HB      PHE   1   8.751   0.534  -4.488
  153    HB3  PHE   1           3HB      PHE   1   9.326  -0.604  -3.293
  154    HD1  PHE   1           HD1      PHE   1   7.818   2.706  -3.844
  155    HD2  PHE   1           HD2      PHE   1   9.178  -0.103  -0.894
  156    HE1  PHE   1           HE1      PHE   1   6.521   3.929  -2.098
  157    HE2  PHE   1           HE2      PHE   1   7.896   1.121   0.870
  158    HZ   PHE   1           HZ       PHE   1   6.551   3.118   0.250
  159    H    VAL   2           H        VAL   2   9.841   2.105  -5.846
  160    HA   VAL   2           HA       VAL   2  10.440   4.889  -4.975
  161    HB   VAL   2           HB       VAL   2  11.156   5.510  -7.246
  162   HG11  VAL   2          1HG1      VAL   2  13.439   4.689  -7.111
  163   HG12  VAL   2          2HG1      VAL   2  12.832   5.045  -5.486
  164   HG13  VAL   2          3HG1      VAL   2  12.946   3.361  -6.044
  165   HG21  VAL   2          3HG2      VAL   2  10.167   3.689  -8.582
  166   HG22  VAL   2          1HG2      VAL   2  11.902   3.829  -8.875
  167   HG23  VAL   2          2HG2      VAL   2  11.290   2.521  -7.847
  168    H    ASN   3           H        ASN   3   9.219   6.518  -6.085
  169    HA   ASN   3           HA       ASN   3   6.475   6.026  -6.010
  170    HB2  ASN   3           2HB      ASN   3   7.985   8.290  -7.377
  171    HB3  ASN   3           3HB      ASN   3   6.265   8.306  -7.000
  172   HD21  ASN   3          2HD2      ASN   3   5.791   7.736  -4.493
  173   HD22  ASN   3          1HD2      ASN   3   6.790   8.694  -3.429
  174    H    GLN   4           H        GLN   4   4.957   5.369  -7.342
  175    HA   GLN   4           HA       GLN   4   4.717   5.639 -10.142
  176    HB2  GLN   4           2HB      GLN   4   5.090   3.367 -10.911
  177    HB3  GLN   4           3HB      GLN   4   6.576   3.988 -10.236
  178    HG2  GLN   4           2HG      GLN   4   5.834   2.767  -8.026
  179    HG3  GLN   4           3HG      GLN   4   4.695   1.913  -9.067
  180   HE21  GLN   4          2HE2      GLN   4   8.110   2.419  -8.284
  181   HE22  GLN   4          1HE2      GLN   4   8.715   1.075  -9.252
  182    H    HIS   5           H        HIS   5   2.902   3.901 -10.856
  183    HA   HIS   5           HA       HIS   5   0.708   4.012  -8.922
  184    HB2  HIS   5           2HB      HIS   5   0.912   2.834 -11.715
  185    HB3  HIS   5           3HB      HIS   5  -0.568   2.963 -10.762
  186    HD2  HIS   5           HD2      HIS   5   1.568   4.930 -13.130
  187    HE1  HIS   5           HE1      HIS   5  -1.143   7.770 -11.487
  188    HE2  HIS   5           HE2      HIS   5   0.588   7.366 -13.313
  189    H    LEU   6           H        LEU   6   2.228   2.821  -7.445
  190    HA   LEU   6           HA       LEU   6   2.874   0.045  -7.790
  191    HB2  LEU   6           2HB      LEU   6   4.020   1.997  -6.492
  192    HB3  LEU   6           3HB      LEU   6   2.856   1.672  -5.221
  193    HG   LEU   6           HG       LEU   6   3.803  -0.649  -5.032
  194   HD11  LEU   6          1HD1      LEU   6   5.938   0.452  -6.939
  195   HD12  LEU   6          2HD1      LEU   6   6.025  -1.087  -6.073
  196   HD13  LEU   6          3HD1      LEU   6   4.808  -0.858  -7.337
  197   HD21  LEU   6          3HD2      LEU   6   5.745   1.691  -4.783
  198   HD22  LEU   6          1HD2      LEU   6   4.530   1.206  -3.583
  199   HD23  LEU   6          2HD2      LEU   6   5.901   0.131  -3.948
  200    H    CYS   7           H        CYS   7   1.289  -1.458  -7.874
  201    HA   CYS   7           HA       CYS   7  -1.077  -1.181  -6.064
  202    HB2  CYS   7           2HB      CYS   7  -1.281   0.034  -8.206
  203    HB3  CYS   7           3HB      CYS   7  -1.170  -1.470  -9.080
  204    H    GLY   8           H        GLY   8  -1.423  -3.444  -8.648
  205    HA2  GLY   8           HA2      GLY   8  -1.626  -5.635  -6.665
  206    HA3  GLY   8           HA3      GLY   8  -2.257  -5.604  -8.300
  207    H    SER   9           H        SER   9   1.292  -7.408  -7.933
  208    HA   SER   9           HA       SER   9  -0.142  -6.310  -5.532
  209    HB2  SER   9           2HB      SER   9  -0.479  -8.759  -5.919
  210    HB3  SER   9           3HB      SER   9   1.272  -8.977  -5.736
  211    HG   SER   9           HG       SER   9   0.150  -9.263  -3.737
  212    H    HIS  10           H        HIS  10   1.068  -4.572  -5.296
  213    HA   HIS  10           HA       HIS  10   3.994  -4.796  -4.668
  214    HB2  HIS  10           2HB      HIS  10   2.662  -2.523  -6.175
  215    HB3  HIS  10           3HB      HIS  10   4.373  -2.820  -5.982
  216    HD2  HIS  10           HD2      HIS  10   5.081  -5.407  -7.221
  217    HE1  HIS  10           HE1      HIS  10   2.433  -4.605 -10.458
  218    HE2  HIS  10           HE2      HIS  10   4.404  -6.030  -9.694
  219    H    LEU  11           H        LEU  11   0.945  -2.939  -4.326
  220    HA   LEU  11           HA       LEU  11   1.856  -0.954  -2.534
  221    HB2  LEU  11           2HB      LEU  11  -0.392  -1.378  -3.923
  222    HB3  LEU  11           3HB      LEU  11  -0.966  -2.024  -2.407
  223    HG   LEU  11           HG       LEU  11   0.069   0.800  -2.928
  224   HD11  LEU  11          1HD1      LEU  11  -2.132   0.273  -3.901
  225   HD12  LEU  11          2HD1      LEU  11  -2.722  -0.271  -2.318
  226   HD13  LEU  11          3HD1      LEU  11  -2.290   1.433  -2.578
  227   HD21  LEU  11          3HD2      LEU  11  -0.839   1.337  -0.658
  228   HD22  LEU  11          1HD2      LEU  11  -1.007  -0.407  -0.354
  229   HD23  LEU  11          2HD2      LEU  11   0.599   0.324  -0.631
  230    H    VAL  12           H        VAL  12   0.529  -4.194  -1.890
  231    HA   VAL  12           HA       VAL  12   0.515  -4.173   0.949
  232    HB   VAL  12           HB       VAL  12   1.156  -6.471  -0.964
  233   HG11  VAL  12          1HG1      VAL  12   0.198  -6.669   1.925
  234   HG12  VAL  12          2HG1      VAL  12   0.363  -8.018   0.791
  235   HG13  VAL  12          3HG1      VAL  12   1.799  -7.144   1.319
  236   HG21  VAL  12          3HG2      VAL  12  -1.220  -7.091  -0.756
  237   HG22  VAL  12          1HG2      VAL  12  -1.513  -5.647   0.241
  238   HG23  VAL  12          2HG2      VAL  12  -1.040  -5.492  -1.466
  239    H    GLU  13           H        GLU  13   3.177  -4.846  -1.311
  240    HA   GLU  13           HA       GLU  13   5.122  -5.598   0.696
  241    HB2  GLU  13           2HB      GLU  13   5.732  -4.540  -2.095
  242    HB3  GLU  13           3HB      GLU  13   6.725  -5.565  -1.060
  243    HG2  GLU  13           2HG      GLU  13   4.811  -7.294  -1.243
  244    HG3  GLU  13           3HG      GLU  13   4.196  -6.308  -2.576
  245    H    ALA  14           H        ALA  14   4.362  -2.577  -1.051
  246    HA   ALA  14           HA       ALA  14   6.403  -0.920   0.056
  247    HB1  ALA  14           3HB      ALA  14   3.579  -0.170  -0.852
  248    HB2  ALA  14           1HB      ALA  14   4.987   0.895  -0.771
  249    HB3  ALA  14           2HB      ALA  14   4.959  -0.442  -1.940
  250    H    LEU  15           H        LEU  15   2.997  -1.439   1.074
  251    HA   LEU  15           HA       LEU  15   3.079   0.103   3.441
  252    HB2  LEU  15           2HB      LEU  15   1.420  -2.275   2.557
  253    HB3  LEU  15           3HB      LEU  15   1.261  -1.584   4.192
  254    HG   LEU  15           HG       LEU  15   0.929   0.016   1.684
  255   HD11  LEU  15          1HD1      LEU  15  -1.514  -0.181   2.094
  256   HD12  LEU  15          2HD1      LEU  15  -0.756  -1.756   1.796
  257   HD13  LEU  15          3HD1      LEU  15  -1.190  -1.280   3.453
  258   HD21  LEU  15          3HD2      LEU  15  -0.182   1.646   3.137
  259   HD22  LEU  15          1HD2      LEU  15   0.077   0.599   4.557
  260   HD23  LEU  15          2HD2      LEU  15   1.447   1.360   3.740
  261    H    TYR  16           H        TYR  16   3.851  -3.405   3.058
  262    HA   TYR  16           HA       TYR  16   4.593  -3.824   5.767
  263    HB2  TYR  16           2HB      TYR  16   4.292  -5.697   4.357
  264    HB3  TYR  16           3HB      TYR  16   5.426  -5.097   3.154
  265    HD1  TYR  16           HD2      TYR  16   5.271  -6.267   6.725
  266    HD2  TYR  16           HD1      TYR  16   7.692  -5.692   3.203
  267    HE1  TYR  16           HE2      TYR  16   7.185  -7.409   7.848
  268    HE2  TYR  16           HE1      TYR  16   9.613  -6.776   4.325
  269    HH   TYR  16           HH       TYR  16  10.370  -7.831   6.240
  270    H    LEU  17           H        LEU  17   6.601  -2.481   3.095
  271    HA   LEU  17           HA       LEU  17   9.007  -2.310   4.699
  272    HB2  LEU  17           2HB      LEU  17   8.116  -1.604   1.973
  273    HB3  LEU  17           3HB      LEU  17   9.159  -0.373   2.643
  274    HG   LEU  17           HG       LEU  17  10.372  -2.000   1.302
  275   HD11  LEU  17          1HD1      LEU  17  11.179  -2.193   4.238
  276   HD12  LEU  17          2HD1      LEU  17  12.222  -2.433   2.825
  277   HD13  LEU  17          3HD1      LEU  17  11.535  -0.833   3.151
  278   HD21  LEU  17          3HD2      LEU  17   9.666  -4.091   3.404
  279   HD22  LEU  17          1HD2      LEU  17   8.992  -4.008   1.760
  280   HD23  LEU  17          2HD2      LEU  17  10.721  -4.306   1.996
  281    H    VAL  18           H        VAL  18   6.434   0.037   4.008
  282    HA   VAL  18           HA       VAL  18   7.589   2.271   5.431
  283    HB   VAL  18           HB       VAL  18   4.724   1.524   4.738
  284   HG11  VAL  18          1HG1      VAL  18   5.726   4.208   5.816
  285   HG12  VAL  18          2HG1      VAL  18   4.129   3.921   5.090
  286   HG13  VAL  18          3HG1      VAL  18   4.554   3.125   6.600
  287   HG21  VAL  18          3HG2      VAL  18   5.031   3.206   2.945
  288   HG22  VAL  18          1HG2      VAL  18   6.641   3.625   3.563
  289   HG23  VAL  18          2HG2      VAL  18   6.355   2.049   2.834
  290    H    CYS  19           H        CYS  19   4.967   0.044   6.344
  291    HA   CYS  19           HA       CYS  19   4.534   0.895   9.011
  292    HB2  CYS  19           2HB      CYS  19   4.101  -1.679   7.484
  293    HB3  CYS  19           3HB      CYS  19   3.416  -1.407   9.077
  294    H    GLY  20           H        GLY  20   6.786  -1.522   7.718
  295    HA2  GLY  20           HA2      GLY  20   8.825  -2.122   8.560
  296    HA3  GLY  20           HA3      GLY  20   8.462  -1.196  10.043
  297    H    GLU  21           H        GLU  21   6.286  -2.465  11.032
  298    HA   GLU  21           HA       GLU  21   6.933  -5.349  11.382
  299    HB2  GLU  21           2HB      GLU  21   6.542  -3.331  13.642
  300    HB3  GLU  21           3HB      GLU  21   6.555  -5.086  13.842
  301    HG2  GLU  21           2HG      GLU  21   8.884  -5.157  12.935
  302    HG3  GLU  21           3HG      GLU  21   8.889  -3.391  12.866
  303    H    ARG  22           H        ARG  22   5.193  -6.533  12.341
  304    HA   ARG  22           HA       ARG  22   3.130  -7.380  12.363
  305    HB2  ARG  22           2HB      ARG  22   2.288  -4.501  12.859
  306    HB3  ARG  22           3HB      ARG  22   1.226  -5.891  13.025
  307    HG2  ARG  22           2HG      ARG  22   2.423  -6.800  14.845
  308    HG3  ARG  22           3HG      ARG  22   3.862  -5.808  14.546
  309    HD2  ARG  22           2HD      ARG  22   2.698  -3.790  15.126
  310    HD3  ARG  22           3HD      ARG  22   1.175  -4.683  15.381
  311    HE   ARG  22           HE       ARG  22   3.153  -5.870  17.015
  312   HH11  ARG  22          1HH2      ARG  22   1.451  -2.770  16.893
  313   HH12  ARG  22          2HH2      ARG  22   1.612  -2.510  18.605
  314   HH21  ARG  22          1HH1      ARG  22   3.329  -5.472  19.214
  315   HH22  ARG  22          2HH1      ARG  22   2.661  -4.021  19.898
  316    H    GLY  23           H        GLY  23   0.965  -7.498  11.342
  317    HA2  GLY  23           HA2      GLY  23   1.155  -7.024   8.413
  318    HA3  GLY  23           HA3      GLY  23  -0.039  -8.028   9.260
  319    H    HIS  24           H        HIS  24   0.501  -5.073   7.747
  320    HA   HIS  24           HA       HIS  24  -1.475  -3.396   8.977
  321    HB2  HIS  24           2HB      HIS  24  -1.365  -2.167   6.824
  322    HB3  HIS  24           3HB      HIS  24   0.213  -2.482   7.537
  323    HD2  HIS  24           HD2      HIS  24   1.982  -3.520   5.951
  324    HE1  HIS  24           HE1      HIS  24  -0.554  -4.842   2.820
  325    HE2  HIS  24           HE2      HIS  24   1.854  -4.670   3.593
  326    H    PHE  25           H        PHE  25  -3.587  -2.764   8.033
  327    HA   PHE  25           HA       PHE  25  -5.191  -5.142   7.927
  328    HB2  PHE  25           2HB      PHE  25  -7.093  -3.614   7.958
  329    HB3  PHE  25           3HB      PHE  25  -5.911  -3.260   9.195
  330    HD1  PHE  25           HD2      PHE  25  -7.132  -2.136   5.822
  331    HD2  PHE  25           HD1      PHE  25  -5.020  -1.067   9.431
  332    HE1  PHE  25           HE2      PHE  25  -7.177   0.250   5.146
  333    HE2  PHE  25           HE1      PHE  25  -5.088   1.316   8.765
  334    HZ   PHE  25           HZ       PHE  25  -6.185   1.984   6.627
  335    H    TYR  26           H        TYR  26  -3.849  -3.322   5.306
  336    HA   TYR  26           HA       TYR  26  -5.850  -4.281   3.363
  337    HB2  TYR  26           2HB      TYR  26  -4.949  -2.072   3.042
  338    HB3  TYR  26           3HB      TYR  26  -3.302  -2.688   3.043
  339    HD1  TYR  26           HD1      TYR  26  -6.562  -3.394   1.228
  340    HD2  TYR  26           HD2      TYR  26  -2.281  -3.018   0.974
  341    HE1  TYR  26           HE1      TYR  26  -6.670  -3.794  -1.225
  342    HE2  TYR  26           HE2      TYR  26  -2.371  -3.396  -1.450
  343    HH   TYR  26           HH       TYR  26  -3.734  -3.776  -3.295
  344    H    THR  27           H        THR  27  -5.596  -6.532   3.923
  345    HA   THR  27           HA       THR  27  -3.382  -7.840   2.366
  346    HB   THR  27           HB       THR  27  -3.966  -9.899   3.662
  347    HG1  THR  27           HG1      THR  27  -5.954  -9.181   4.499
  348   HG21  THR  27          1HG2      THR  27  -2.879  -7.489   5.198
  349   HG22  THR  27          2HG2      THR  27  -2.637  -9.194   5.627
  350   HG23  THR  27          3HG2      THR  27  -1.951  -8.547   4.127
  351    HA   PRO  28           HA       PRO  28  -7.232  -8.089  -0.115
  352    HB2  PRO  28           2HB      PRO  28  -6.132  -7.941  -2.609
  353    HB3  PRO  28           3HB      PRO  28  -6.332  -6.505  -1.552
  354    HG2  PRO  28           2HG      PRO  28  -3.853  -8.228  -1.913
  355    HG3  PRO  28           3HG      PRO  28  -3.973  -6.442  -2.007
  356    HD2  PRO  28           2HD      PRO  28  -3.189  -7.695   0.263
  357    HD3  PRO  28           3HD      PRO  28  -4.238  -6.246   0.335
  358    H    LYS  29           H        LYS  29  -8.087  -9.666  -1.626
  359    HA   LYS  29           HA       LYS  29  -6.898 -12.348  -1.530
  360    HB2  LYS  29           2HB      LYS  29  -9.399 -11.141  -2.765
  361    HB3  LYS  29           3HB      LYS  29  -8.849 -12.767  -3.201
  362    HG2  LYS  29           2HG      LYS  29  -8.902 -13.501  -0.899
  363    HG3  LYS  29           3HG      LYS  29  -9.311 -11.874  -0.334
  364    HD2  LYS  29           2HD      LYS  29 -11.308 -13.235  -0.313
  365    HD3  LYS  29           3HD      LYS  29 -11.473 -11.983  -1.552
  366    HE2  LYS  29           2HE      LYS  29 -10.868 -13.638  -3.309
  367    HE3  LYS  29           3HE      LYS  29 -10.646 -14.882  -2.070
  368    HZ1  LYS  29           HZ1      LYS  29 -12.831 -15.037  -3.104
  369    HZ2  LYS  29           HZ2      LYS  29 -13.006 -14.663  -1.524
  370    HZ3  LYS  29           HZ3      LYS  29 -13.210 -13.509  -2.666
  371    H    THR  30           H        THR  30  -5.747 -13.348  -3.005
  372    HA   THR  30           HA       THR  30  -5.541 -12.366  -5.776
  373    HB   THR  30           HB       THR  30  -3.055 -12.818  -5.758
  374    HG1  THR  30           HG1      THR  30  -3.142 -13.915  -3.698
  375   HG21  THR  30          1HG2      THR  30  -3.962 -10.496  -5.723
  376   HG22  THR  30          2HG2      THR  30  -3.893 -10.516  -3.946
  377   HG23  THR  30          3HG2      THR  30  -2.402 -10.652  -4.898
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1 -11.305   3.850   1.238
    2    H2   GLY   1           2H       GLY   1 -10.907   3.907  -0.347
    3    H3   GLY   1           3H       GLY   1 -10.130   4.874   0.729
    4    HA2  GLY   1           HA2      GLY   1  -9.207   2.924   1.856
    5    HA3  GLY   1           HA3      GLY   1  -9.974   1.930   0.603
    6    H    ILE   2           H        ILE   2  -7.431   1.465   0.791
    7    HA   ILE   2           HA       ILE   2  -5.627   3.287  -0.508
    8    HB   ILE   2           HB       ILE   2  -5.005   1.593   1.180
    9   HG12  ILE   2          2HG1      ILE   2  -3.476   1.429  -1.442
   10   HG13  ILE   2          3HG1      ILE   2  -3.360   2.708  -0.226
   11   HG21  ILE   2          1HG2      ILE   2  -6.347  -0.355   0.277
   12   HG22  ILE   2          2HG2      ILE   2  -5.116  -0.531  -0.998
   13   HG23  ILE   2          3HG2      ILE   2  -4.687  -0.732   0.707
   14   HD11  ILE   2          3HD1      ILE   2  -2.502  -0.188   0.067
   15   HD12  ILE   2          1HD1      ILE   2  -1.485   1.259   0.083
   16   HD13  ILE   2          2HD1      ILE   2  -2.600   0.952   1.432
   17    H    VAL   3           H        VAL   3  -7.272   0.426  -1.788
   18    HA   VAL   3           HA       VAL   3  -5.947   0.325  -4.271
   19    HB   VAL   3           HB       VAL   3  -7.329  -1.450  -3.143
   20   HG11  VAL   3          1HG1      VAL   3  -9.695  -1.670  -3.598
   21   HG12  VAL   3          2HG1      VAL   3  -9.406  -0.137  -2.765
   22   HG13  VAL   3          3HG1      VAL   3  -9.716  -0.152  -4.515
   23   HG21  VAL   3          3HG2      VAL   3  -7.881  -1.084  -6.111
   24   HG22  VAL   3          1HG2      VAL   3  -6.430  -1.814  -5.379
   25   HG23  VAL   3          2HG2      VAL   3  -8.003  -2.593  -5.188
   26    H    GLU   4           H        GLU   4  -8.402   2.515  -3.259
   27    HA   GLU   4           HA       GLU   4  -9.401   3.235  -5.915
   28    HB2  GLU   4           2HB      GLU   4  -9.790   4.480  -3.165
   29    HB3  GLU   4           3HB      GLU   4 -10.660   4.955  -4.627
   30    HG2  GLU   4           2HG      GLU   4 -11.659   2.719  -4.820
   31    HG3  GLU   4           3HG      GLU   4 -10.782   2.170  -3.388
   32    H    GLN   5           H        GLN   5  -6.515   4.002  -4.277
   33    HA   GLN   5           HA       GLN   5  -6.182   6.506  -5.868
   34    HB2  GLN   5           2HB      GLN   5  -5.386   7.742  -3.958
   35    HB3  GLN   5           3HB      GLN   5  -7.029   7.175  -3.691
   36    HG2  GLN   5           2HG      GLN   5  -5.995   5.246  -2.321
   37    HG3  GLN   5           3HG      GLN   5  -4.473   6.138  -2.398
   38   HE21  GLN   5          2HE2      GLN   5  -7.589   5.881  -0.851
   39   HE22  GLN   5          1HE2      GLN   5  -7.425   7.325   0.154
   40    H    CYS   6           H        CYS   6  -4.437   3.987  -3.904
   41    HA   CYS   6           HA       CYS   6  -1.886   4.898  -5.019
   42    HB2  CYS   6           2HB      CYS   6  -2.659   2.442  -3.418
   43    HB3  CYS   6           3HB      CYS   6  -1.006   2.888  -3.863
   44    H    CYS   7           H        CYS   7  -4.326   2.787  -6.215
   45    HA   CYS   7           HA       CYS   7  -2.570   1.468  -8.190
   46    HB2  CYS   7           2HB      CYS   7  -5.582   1.636  -7.860
   47    HB3  CYS   7           3HB      CYS   7  -4.794   0.768  -9.169
   48    H    THR   8           H        THR   8  -4.329   4.488  -7.985
   49    HA   THR   8           HA       THR   8  -4.232   4.896 -10.944
   50    HB   THR   8           HB       THR   8  -5.983   6.624 -10.475
   51    HG1  THR   8           HG1      THR   8  -6.978   6.479  -8.420
   52   HG21  THR   8          1HG2      THR   8  -6.695   3.822  -9.484
   53   HG22  THR   8          2HG2      THR   8  -7.808   5.037 -10.144
   54   HG23  THR   8          3HG2      THR   8  -6.580   4.308 -11.190
   55    H    SER   9           H        SER   9  -2.951   6.203  -7.954
   56    HA   SER   9           HA       SER   9  -1.376   8.143  -9.575
   57    HB2  SER   9           2HB      SER   9  -3.386   9.218  -8.436
   58    HB3  SER   9           3HB      SER   9  -2.592   8.851  -6.894
   59    HG   SER   9           HG       SER   9  -2.115  10.989  -7.752
   60    H    ILE  10           H        ILE  10   0.254   9.214  -7.877
   61    HA   ILE  10           HA       ILE  10   2.175   7.157  -7.149
   62    HB   ILE  10           HB       ILE  10   2.058  10.107  -6.388
   63   HG12  ILE  10          2HG1      ILE  10   2.174   9.818  -8.845
   64   HG13  ILE  10          3HG1      ILE  10   3.577  10.610  -8.155
   65   HG21  ILE  10          1HG2      ILE  10   3.543   9.042  -4.836
   66   HG22  ILE  10          2HG2      ILE  10   4.329   8.092  -6.108
   67   HG23  ILE  10          3HG2      ILE  10   4.553   9.853  -6.029
   68   HD11  ILE  10          3HD1      ILE  10   4.216   9.017  -9.911
   69   HD12  ILE  10          1HD1      ILE  10   4.901   8.548  -8.347
   70   HD13  ILE  10          2HD1      ILE  10   3.477   7.689  -9.002
   71    H    CYS  11           H        CYS  11   2.486   6.113  -5.282
   72    HA   CYS  11           HA       CYS  11   1.519   7.381  -2.779
   73    HB2  CYS  11           2HB      CYS  11   0.996   4.532  -3.593
   74    HB3  CYS  11           3HB      CYS  11   1.236   4.939  -1.890
   75    H    SER  12           H        SER  12   2.652   6.700  -0.888
   76    HA   SER  12           HA       SER  12   5.461   5.948  -1.012
   77    HB2  SER  12           2HB      SER  12   4.570   8.858  -0.947
   78    HB3  SER  12           3HB      SER  12   6.158   8.341  -0.399
   79    HG   SER  12           HG       SER  12   5.225   7.672  -2.998
   80    H    LEU  13           H        LEU  13   6.470   6.568   1.129
   81    HA   LEU  13           HA       LEU  13   5.276   5.365   3.195
   82    HB2  LEU  13           2HB      LEU  13   6.869   6.633   4.670
   83    HB3  LEU  13           3HB      LEU  13   7.597   5.860   3.278
   84    HG   LEU  13           HG       LEU  13   6.835   8.714   2.831
   85   HD11  LEU  13          1HD1      LEU  13   8.747   9.627   4.039
   86   HD12  LEU  13          2HD1      LEU  13   7.602   8.867   5.155
   87   HD13  LEU  13          3HD1      LEU  13   9.110   8.024   4.724
   88   HD21  LEU  13          3HD2      LEU  13   8.113   7.403   1.147
   89   HD22  LEU  13          1HD2      LEU  13   9.021   8.800   1.734
   90   HD23  LEU  13          2HD2      LEU  13   9.416   7.176   2.330
   91    H    TYR  14           H        TYR  14   4.952   8.921   2.864
   92    HA   TYR  14           HA       TYR  14   3.462   9.203   5.301
   93    HB2  TYR  14           2HB      TYR  14   2.950  11.492   4.255
   94    HB3  TYR  14           3HB      TYR  14   4.656  11.077   4.441
   95    HD1  TYR  14           HD2      TYR  14   1.882  11.272   1.924
   96    HD2  TYR  14           HD1      TYR  14   6.133  10.993   2.591
   97    HE1  TYR  14           HE2      TYR  14   2.276  11.512  -0.515
   98    HE2  TYR  14           HE1      TYR  14   6.543  11.246   0.168
   99    HH   TYR  14           HH       TYR  14   5.586  11.557  -1.921
  100    H    GLN  15           H        GLN  15   2.414   8.248   2.141
  101    HA   GLN  15           HA       GLN  15  -0.494   8.634   2.752
  102    HB2  GLN  15           2HB      GLN  15   1.190   7.904   0.340
  103    HB3  GLN  15           3HB      GLN  15  -0.413   7.209   0.428
  104    HG2  GLN  15           2HG      GLN  15   0.014  10.200   0.750
  105    HG3  GLN  15           3HG      GLN  15  -0.120   9.432  -0.832
  106   HE21  GLN  15          2HE2      GLN  15  -2.147   8.256  -1.371
  107   HE22  GLN  15          1HE2      GLN  15  -3.632   8.684  -0.536
  108    H    LEU  16           H        LEU  16   1.939   6.052   2.257
  109    HA   LEU  16           HA       LEU  16   0.156   3.874   2.666
  110    HB2  LEU  16           2HB      LEU  16   3.144   4.280   2.749
  111    HB3  LEU  16           3HB      LEU  16   2.456   2.673   2.926
  112    HG   LEU  16           HG       LEU  16   2.022   4.497   0.519
  113   HD11  LEU  16          1HD1      LEU  16   3.568   2.985  -0.666
  114   HD12  LEU  16          2HD1      LEU  16   4.348   3.832   0.670
  115   HD13  LEU  16          3HD1      LEU  16   3.888   2.122   0.857
  116   HD21  LEU  16          3HD2      LEU  16   1.440   1.520   0.851
  117   HD22  LEU  16          1HD2      LEU  16   0.196   2.791   0.840
  118   HD23  LEU  16          2HD2      LEU  16   1.165   2.487  -0.609
  119    H    GLU  17           H        GLU  17   2.107   5.702   4.988
  120    HA   GLU  17           HA       GLU  17   1.909   4.001   7.216
  121    HB2  GLU  17           2HB      GLU  17   3.298   6.043   6.976
  122    HB3  GLU  17           3HB      GLU  17   1.860   7.051   7.164
  123    HG2  GLU  17           2HG      GLU  17   1.534   6.220   9.431
  124    HG3  GLU  17           3HG      GLU  17   2.813   5.014   9.222
  125    H    ASN  18           H        ASN  18  -0.576   6.054   5.796
  126    HA   ASN  18           HA       ASN  18  -2.390   6.119   8.017
  127    HB2  ASN  18           2HB      ASN  18  -2.933   6.230   5.019
  128    HB3  ASN  18           3HB      ASN  18  -4.109   6.598   6.251
  129   HD21  ASN  18          2HD2      ASN  18  -1.523   7.833   4.424
  130   HD22  ASN  18          1HD2      ASN  18  -1.366   9.400   5.219
  131    H    TYR  19           H        TYR  19  -1.538   3.473   5.959
  132    HA   TYR  19           HA       TYR  19  -3.884   1.886   6.897
  133    HB2  TYR  19           2HB      TYR  19  -2.011   1.082   4.687
  134    HB3  TYR  19           3HB      TYR  19  -3.638   0.505   5.004
  135    HD1  TYR  19           HD1      TYR  19  -5.612   2.161   4.549
  136    HD2  TYR  19           HD2      TYR  19  -1.569   2.900   3.303
  137    HE1  TYR  19           HE1      TYR  19  -6.417   3.899   2.960
  138    HE2  TYR  19           HE2      TYR  19  -2.340   4.624   1.703
  139    HH   TYR  19           HH       TYR  19  -5.826   5.466   1.374
  140    H    CYS  20           H        CYS  20  -0.946   2.561   8.010
  141    HA   CYS  20           HA       CYS  20   0.205  -0.082   8.522
  142    HB2  CYS  20           2HB      CYS  20   1.564   1.941   8.324
  143    HB3  CYS  20           3HB      CYS  20   0.746   2.648   9.713
  144    H    ASN  21           H        ASN  21  -0.042  -1.369  10.362
  145    HA   ASN  21           HA       ASN  21  -2.413  -1.098  11.954
  146    HB2  ASN  21           2HB      ASN  21   0.089  -2.800  12.267
  147    HB3  ASN  21           3HB      ASN  21  -1.252  -2.881  13.398
  148   HD21  ASN  21          1HD2      ASN  21  -0.402  -5.127  11.989
  149   HD22  ASN  21          2HD2      ASN  21  -1.733  -5.614  10.943
  150    H1   PHE   1           H        PHE   1  11.322  -0.443  -2.414
  151    HA   PHE   1           HA       PHE   1  10.123  -0.632  -4.486
  152    HB2  PHE   1           2HB      PHE   1   7.801  -0.585  -3.823
  153    HB3  PHE   1           3HB      PHE   1   8.803  -1.251  -2.547
  154    HD1  PHE   1           HD1      PHE   1   6.847   1.693  -3.629
  155    HD2  PHE   1           HD2      PHE   1   9.053  -0.113  -0.422
  156    HE1  PHE   1           HE1      PHE   1   5.871   3.351  -2.043
  157    HE2  PHE   1           HE2      PHE   1   8.077   1.526   1.183
  158    HZ   PHE   1           HZ       PHE   1   6.491   3.262   0.370
  159    H    VAL   2           H        VAL   2  10.667   2.489  -3.482
  160    HA   VAL   2           HA       VAL   2  10.990   4.406  -4.621
  161    HB   VAL   2           HB       VAL   2   9.838   3.094  -7.118
  162   HG11  VAL   2          1HG1      VAL   2  11.268   4.753  -8.323
  163   HG12  VAL   2          2HG1      VAL   2   9.917   5.476  -7.470
  164   HG13  VAL   2          3HG1      VAL   2  11.555   5.577  -6.776
  165   HG21  VAL   2          3HG2      VAL   2  12.728   3.299  -6.148
  166   HG22  VAL   2          1HG2      VAL   2  11.786   1.800  -6.288
  167   HG23  VAL   2          2HG2      VAL   2  12.215   2.698  -7.739
  168    H    ASN   3           H        ASN   3   9.967   6.349  -5.090
  169    HA   ASN   3           HA       ASN   3   7.138   6.709  -4.456
  170    HB2  ASN   3           2HB      ASN   3   9.057   8.692  -5.739
  171    HB3  ASN   3           3HB      ASN   3   7.599   9.032  -4.807
  172   HD21  ASN   3          1HD2      ASN   3   7.698   8.393  -2.410
  173   HD22  ASN   3          2HD2      ASN   3   9.277   8.490  -1.629
  174    H    GLN   4           H        GLN   4   5.916   5.490  -5.897
  175    HA   GLN   4           HA       GLN   4   5.625   6.501  -8.630
  176    HB2  GLN   4           2HB      GLN   4   6.139   4.506  -9.783
  177    HB3  GLN   4           3HB      GLN   4   7.545   4.958  -8.838
  178    HG2  GLN   4           2HG      GLN   4   7.043   3.217  -7.176
  179    HG3  GLN   4           3HG      GLN   4   5.556   2.787  -8.012
  180   HE21  GLN   4          1HE2      GLN   4   8.414   1.435  -7.494
  181   HE22  GLN   4          2HE2      GLN   4   8.734   0.751  -9.086
  182    H    HIS   5           H        HIS   5   4.017   4.946  -9.845
  183    HA   HIS   5           HA       HIS   5   1.567   4.703  -8.288
  184    HB2  HIS   5           2HB      HIS   5   2.218   3.691 -11.084
  185    HB3  HIS   5           3HB      HIS   5   0.618   3.908 -10.379
  186    HD2  HIS   5           HD2      HIS   5   3.462   5.826 -12.064
  187    HE1  HIS   5           HE1      HIS   5   0.345   8.654 -11.439
  188    HE2  HIS   5           HE2      HIS   5   2.600   8.259 -12.558
  189    H    LEU   6           H        LEU   6   0.910   2.963  -7.167
  190    HA   LEU   6           HA       LEU   6   2.380   0.347  -7.341
  191    HB2  LEU   6           2HB      LEU   6   0.536   1.439  -5.190
  192    HB3  LEU   6           3HB      LEU   6   1.479  -0.054  -5.112
  193    HG   LEU   6           HG       LEU   6   2.616   2.778  -5.139
  194   HD11  LEU   6          1HD1      LEU   6   2.472   0.695  -2.938
  195   HD12  LEU   6          2HD1      LEU   6   3.272   2.281  -2.839
  196   HD13  LEU   6          3HD1      LEU   6   1.513   2.191  -3.037
  197   HD21  LEU   6          3HD2      LEU   6   4.183   1.212  -6.249
  198   HD22  LEU   6          1HD2      LEU   6   4.788   1.736  -4.678
  199   HD23  LEU   6          2HD2      LEU   6   4.070   0.120  -4.844
  200    H    CYS   7           H        CYS   7   0.503  -1.274  -6.404
  201    HA   CYS   7           HA       CYS   7  -2.069  -1.252  -6.448
  202    HB2  CYS   7           2HB      CYS   7  -2.079  -0.551  -8.959
  203    HB3  CYS   7           3HB      CYS   7  -1.725  -2.240  -9.273
  204    H    GLY   8           H        GLY   8  -3.158  -3.406  -6.406
  205    HA2  GLY   8           HA2      GLY   8  -3.244  -5.683  -5.990
  206    HA3  GLY   8           HA3      GLY   8  -1.957  -5.809  -7.196
  207    H    SER   9           H        SER   9  -0.261  -6.929  -6.489
  208    HA   SER   9           HA       SER   9   0.302  -7.437  -3.684
  209    HB2  SER   9           2HB      SER   9   2.281  -8.631  -4.662
  210    HB3  SER   9           3HB      SER   9   0.706  -9.172  -5.266
  211    HG   SER   9           HG       SER   9   2.247  -8.890  -6.970
  212    H    HIS  10           H        HIS  10   1.654  -5.184  -6.121
  213    HA   HIS  10           HA       HIS  10   4.057  -4.460  -4.887
  214    HB2  HIS  10           2HB      HIS  10   2.919  -3.757  -7.160
  215    HB3  HIS  10           3HB      HIS  10   2.251  -2.430  -6.207
  216    HD2  HIS  10           HD2      HIS  10   5.582  -2.666  -4.774
  217    HE1  HIS  10           HE1      HIS  10   6.178  -0.330  -8.276
  218    HE2  HIS  10           HE2      HIS  10   7.208  -1.058  -6.061
  219    H    LEU  11           H        LEU  11   0.774  -3.401  -4.176
  220    HA   LEU  11           HA       LEU  11   1.289  -1.316  -2.269
  221    HB2  LEU  11           2HB      LEU  11  -0.964  -3.346  -2.565
  222    HB3  LEU  11           3HB      LEU  11  -1.024  -2.025  -1.402
  223    HG   LEU  11           HG       LEU  11  -0.826  -1.662  -4.409
  224   HD11  LEU  11          1HD1      LEU  11  -3.227  -1.509  -2.532
  225   HD12  LEU  11          2HD1      LEU  11  -3.234  -1.002  -4.237
  226   HD13  LEU  11          3HD1      LEU  11  -2.960  -2.702  -3.819
  227   HD21  LEU  11          3HD2      LEU  11   0.055   0.239  -3.059
  228   HD22  LEU  11          1HD2      LEU  11  -1.422   0.640  -3.948
  229   HD23  LEU  11          2HD2      LEU  11  -1.480   0.313  -2.193
  230    H    VAL  12           H        VAL  12   1.141  -4.872  -1.910
  231    HA   VAL  12           HA       VAL  12   0.894  -4.739   0.961
  232    HB   VAL  12           HB       VAL  12   1.708  -7.051  -0.880
  233   HG11  VAL  12          1HG1      VAL  12   2.498  -7.599   1.377
  234   HG12  VAL  12          2HG1      VAL  12   0.887  -7.265   2.042
  235   HG13  VAL  12          3HG1      VAL  12   1.129  -8.611   0.920
  236   HG21  VAL  12          3HG2      VAL  12  -0.604  -7.839  -0.572
  237   HG22  VAL  12          1HG2      VAL  12  -0.973  -6.394   0.402
  238   HG23  VAL  12          2HG2      VAL  12  -0.570  -6.246  -1.324
  239    H    GLU  13           H        GLU  13   3.594  -5.392  -1.281
  240    HA   GLU  13           HA       GLU  13   5.589  -5.624   0.797
  241    HB2  GLU  13           2HB      GLU  13   7.240  -5.487  -0.988
  242    HB3  GLU  13           3HB      GLU  13   5.994  -6.693  -1.287
  243    HG2  GLU  13           2HG      GLU  13   4.895  -5.206  -2.916
  244    HG3  GLU  13           3HG      GLU  13   6.093  -3.943  -2.596
  245    H    ALA  14           H        ALA  14   4.465  -2.791  -1.163
  246    HA   ALA  14           HA       ALA  14   6.319  -0.916  -0.107
  247    HB1  ALA  14           3HB      ALA  14   4.642   0.731  -0.861
  248    HB2  ALA  14           1HB      ALA  14   4.849  -0.525  -2.093
  249    HB3  ALA  14           2HB      ALA  14   3.425  -0.542  -1.034
  250    H    LEU  15           H        LEU  15   2.992  -1.722   0.995
  251    HA   LEU  15           HA       LEU  15   2.940  -0.117   3.309
  252    HB2  LEU  15           2HB      LEU  15   1.568  -2.730   2.562
  253    HB3  LEU  15           3HB      LEU  15   1.295  -1.920   4.115
  254    HG   LEU  15           HG       LEU  15   0.689  -0.655   1.438
  255   HD11  LEU  15          1HD1      LEU  15  -0.673  -2.668   1.941
  256   HD12  LEU  15          2HD1      LEU  15  -1.147  -1.953   3.499
  257   HD13  LEU  15          3HD1      LEU  15  -1.650  -1.193   1.985
  258   HD21  LEU  15          3HD2      LEU  15  -0.002   0.136   4.304
  259   HD22  LEU  15          1HD2      LEU  15   1.109   0.997   3.234
  260   HD23  LEU  15          2HD2      LEU  15  -0.601   0.932   2.824
  261    H    TYR  16           H        TYR  16   4.143  -3.493   2.991
  262    HA   TYR  16           HA       TYR  16   4.861  -3.739   5.762
  263    HB2  TYR  16           2HB      TYR  16   4.648  -5.725   4.461
  264    HB3  TYR  16           3HB      TYR  16   5.788  -5.146   3.244
  265    HD1  TYR  16           HD1      TYR  16   5.594  -5.994   6.913
  266    HD2  TYR  16           HD2      TYR  16   8.076  -5.631   3.409
  267    HE1  TYR  16           HE1      TYR  16   7.557  -6.773   8.227
  268    HE2  TYR  16           HE2      TYR  16  10.046  -6.368   4.711
  269    HH   TYR  16           HH       TYR  16  10.830  -7.076   6.775
  270    H    LEU  17           H        LEU  17   6.832  -2.600   2.930
  271    HA   LEU  17           HA       LEU  17   9.216  -2.197   4.477
  272    HB2  LEU  17           2HB      LEU  17   8.227  -1.535   1.760
  273    HB3  LEU  17           3HB      LEU  17   9.302  -0.318   2.398
  274    HG   LEU  17           HG       LEU  17  10.446  -1.975   1.015
  275   HD11  LEU  17          1HD1      LEU  17  11.376  -2.068   3.918
  276   HD12  LEU  17          2HD1      LEU  17  12.363  -2.355   2.472
  277   HD13  LEU  17          3HD1      LEU  17  11.682  -0.747   2.769
  278   HD21  LEU  17          3HD2      LEU  17   9.112  -3.988   1.598
  279   HD22  LEU  17          1HD2      LEU  17  10.855  -4.254   1.754
  280   HD23  LEU  17          2HD2      LEU  17   9.872  -4.009   3.208
  281    H    VAL  18           H        VAL  18   6.493  -0.005   3.844
  282    HA   VAL  18           HA       VAL  18   7.643   2.252   5.251
  283    HB   VAL  18           HB       VAL  18   4.750   1.579   4.588
  284   HG11  VAL  18          1HG1      VAL  18   4.265   3.994   4.934
  285   HG12  VAL  18          2HG1      VAL  18   4.720   3.214   6.443
  286   HG13  VAL  18          3HG1      VAL  18   5.897   4.236   5.584
  287   HG21  VAL  18          3HG2      VAL  18   5.082   3.179   2.775
  288   HG22  VAL  18          1HG2      VAL  18   6.759   3.476   3.293
  289   HG23  VAL  18          2HG2      VAL  18   6.269   1.903   2.650
  290    H    CYS  19           H        CYS  19   5.135  -0.111   6.250
  291    HA   CYS  19           HA       CYS  19   4.893   0.994   8.913
  292    HB2  CYS  19           2HB      CYS  19   3.110  -0.146   7.488
  293    HB3  CYS  19           3HB      CYS  19   3.906  -1.669   7.838
  294    H    GLY  20           H        GLY  20   6.782  -1.692   7.637
  295    HA2  GLY  20           HA2      GLY  20   8.481  -2.942   8.608
  296    HA3  GLY  20           HA3      GLY  20   8.196  -2.150  10.169
  297    H    GLU  21           H        GLU  21   8.426  -4.219  11.117
  298    HA   GLU  21           HA       GLU  21   6.887  -6.517  10.500
  299    HB2  GLU  21           2HB      GLU  21   8.282  -5.716  13.085
  300    HB3  GLU  21           3HB      GLU  21   7.664  -7.333  12.725
  301    HG2  GLU  21           2HG      GLU  21   9.155  -7.456  10.731
  302    HG3  GLU  21           3HG      GLU  21   9.839  -5.884  11.156
  303    H    ARG  22           H        ARG  22   5.735  -3.691  11.961
  304    HA   ARG  22           HA       ARG  22   3.677  -4.668  13.717
  305    HB2  ARG  22           2HB      ARG  22   4.035  -2.147  12.052
  306    HB3  ARG  22           3HB      ARG  22   2.555  -2.449  12.943
  307    HG2  ARG  22           2HG      ARG  22   3.950  -1.027  14.258
  308    HG3  ARG  22           3HG      ARG  22   3.755  -2.582  15.057
  309    HD2  ARG  22           2HD      ARG  22   6.003  -1.750  15.337
  310    HD3  ARG  22           3HD      ARG  22   6.040  -3.237  14.391
  311    HE   ARG  22           HE       ARG  22   5.933  -1.128  12.519
  312   HH11  ARG  22          1HH1      ARG  22   8.235  -2.086  15.046
  313   HH12  ARG  22          2HH1      ARG  22   9.555  -1.289  14.246
  314   HH21  ARG  22          1HH2      ARG  22   7.627  -0.183  11.562
  315   HH22  ARG  22          2HH2      ARG  22   9.219  -0.188  12.290
  316    H    GLY  23           H        GLY  23   3.893  -4.496  10.193
  317    HA2  GLY  23           HA2      GLY  23   2.574  -5.465   8.547
  318    HA3  GLY  23           HA3      GLY  23   1.573  -6.205   9.811
  319    H    HIS  24           H        HIS  24   0.060  -5.610   7.929
  320    HA   HIS  24           HA       HIS  24  -1.368  -3.102   8.598
  321    HB2  HIS  24           2HB      HIS  24  -1.440  -2.465   6.197
  322    HB3  HIS  24           3HB      HIS  24   0.164  -2.363   6.913
  323    HD2  HIS  24           HD2      HIS  24   2.071  -3.780   5.823
  324    HE1  HIS  24           HE1      HIS  24  -0.230  -5.617   2.766
  325    HE2  HIS  24           HE2      HIS  24   2.135  -5.241   3.635
  326    H    PHE  25           H        PHE  25  -3.513  -2.971   7.748
  327    HA   PHE  25           HA       PHE  25  -4.837  -5.554   7.959
  328    HB2  PHE  25           2HB      PHE  25  -6.890  -4.151   8.038
  329    HB3  PHE  25           3HB      PHE  25  -5.684  -3.779   9.250
  330    HD1  PHE  25           HD2      PHE  25  -6.974  -2.617   5.907
  331    HD2  PHE  25           HD1      PHE  25  -4.920  -1.555   9.557
  332    HE1  PHE  25           HE2      PHE  25  -7.080  -0.221   5.275
  333    HE2  PHE  25           HE1      PHE  25  -5.085   0.841   8.943
  334    HZ   PHE  25           HZ       PHE  25  -6.190   1.515   6.819
  335    H    TYR  26           H        TYR  26  -3.909  -3.650   5.214
  336    HA   TYR  26           HA       TYR  26  -5.916  -4.840   3.411
  337    HB2  TYR  26           2HB      TYR  26  -5.239  -2.622   2.890
  338    HB3  TYR  26           3HB      TYR  26  -3.531  -3.030   2.998
  339    HD1  TYR  26           HD1      TYR  26  -6.636  -3.813   0.992
  340    HD2  TYR  26           HD2      TYR  26  -2.333  -3.776   1.119
  341    HE1  TYR  26           HE1      TYR  26  -6.548  -4.480  -1.410
  342    HE2  TYR  26           HE2      TYR  26  -2.229  -4.430  -1.235
  343    HH   TYR  26           HH       TYR  26  -3.435  -4.919  -3.152
  344    H    THR  27           H        THR  27  -5.640  -7.062   3.695
  345    HA   THR  27           HA       THR  27  -3.144  -8.233   2.501
  346    HB   THR  27           HB       THR  27  -3.683 -10.278   3.795
  347    HG1  THR  27           HG1      THR  27  -5.848  -9.744   4.298
  348   HG21  THR  27          1HG2      THR  27  -2.703  -9.404   5.872
  349   HG22  THR  27          2HG2      THR  27  -1.929  -8.627   4.480
  350   HG23  THR  27          3HG2      THR  27  -3.135  -7.742   5.424
  351    HA   PRO  28           HA       PRO  28  -6.542  -8.928  -0.483
  352    HB2  PRO  28           2HB      PRO  28  -5.195  -8.550  -2.789
  353    HB3  PRO  28           3HB      PRO  28  -5.552  -7.191  -1.685
  354    HG2  PRO  28           2HG      PRO  28  -2.994  -8.841  -1.806
  355    HG3  PRO  28           3HG      PRO  28  -3.136  -7.063  -1.930
  356    HD2  PRO  28           2HD      PRO  28  -2.618  -8.288   0.435
  357    HD3  PRO  28           3HD      PRO  28  -3.700  -6.862   0.363
  358    H    LYS  29           H        LYS  29  -6.664 -10.421  -2.494
  359    HA   LYS  29           HA       LYS  29  -5.626 -13.076  -1.835
  360    HB2  LYS  29           2HB      LYS  29  -8.021 -12.428  -2.518
  361    HB3  LYS  29           3HB      LYS  29  -7.408 -12.297  -4.170
  362    HG2  LYS  29           2HG      LYS  29  -6.688 -14.710  -4.036
  363    HG3  LYS  29           3HG      LYS  29  -7.305 -14.772  -2.377
  364    HD2  LYS  29           2HD      LYS  29  -9.595 -14.266  -3.209
  365    HD3  LYS  29           3HD      LYS  29  -8.964 -14.119  -4.852
  366    HE2  LYS  29           2HE      LYS  29  -9.973 -16.277  -4.685
  367    HE3  LYS  29           3HE      LYS  29  -8.225 -16.507  -4.778
  368    HZ1  LYS  29           HZ1      LYS  29  -8.217 -16.850  -2.365
  369    HZ2  LYS  29           HZ2      LYS  29  -9.833 -16.599  -2.278
  370    HZ3  LYS  29           HZ3      LYS  29  -9.246 -17.902  -3.068
  371    H    THR  30           H        THR  30  -3.481 -11.500  -2.434
  372    HA   THR  30           HA       THR  30  -2.188 -12.871  -4.646
  373    HB   THR  30           HB       THR  30  -3.350 -11.177  -5.919
  374    HG1  THR  30           HG1      THR  30  -1.565 -10.495  -7.019
  375   HG21  THR  30          1HG2      THR  30  -1.773  -9.070  -4.384
  376   HG22  THR  30          2HG2      THR  30  -2.800  -8.806  -5.806
  377   HG23  THR  30          3HG2      THR  30  -3.528  -9.334  -4.286
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -11.504   3.874  -1.053
    2    H2   GLY   1           2H       GLY   1 -11.009   4.701   0.278
    3    H3   GLY   1           3H       GLY   1 -12.175   3.552   0.405
    4    HA2  GLY   1           HA2      GLY   1 -10.157   2.640   1.258
    5    HA3  GLY   1           HA3      GLY   1 -10.604   1.830  -0.255
    6    H    ILE   2           H        ILE   2  -8.134   1.430   0.257
    7    HA   ILE   2           HA       ILE   2  -6.331   3.611  -0.527
    8    HB   ILE   2           HB       ILE   2  -5.838   2.126   1.338
    9   HG12  ILE   2          2HG1      ILE   2  -3.830   2.038  -0.945
   10   HG13  ILE   2          3HG1      ILE   2  -4.038   3.317   0.251
   11   HG21  ILE   2          1HG2      ILE   2  -5.221  -0.164   1.167
   12   HG22  ILE   2          2HG2      ILE   2  -6.763  -0.031   0.342
   13   HG23  ILE   2          3HG2      ILE   2  -5.254  -0.143  -0.601
   14   HD11  ILE   2          3HD1      ILE   2  -3.467   1.526   2.022
   15   HD12  ILE   2          1HD1      ILE   2  -2.974   0.509   0.660
   16   HD13  ILE   2          2HD1      ILE   2  -2.147   2.052   0.953
   17    H    VAL   3           H        VAL   3  -7.038   0.408  -2.008
   18    HA   VAL   3           HA       VAL   3  -5.057   0.746  -3.986
   19    HB   VAL   3           HB       VAL   3  -5.964  -1.414  -3.252
   20   HG11  VAL   3          1HG1      VAL   3  -7.955  -2.398  -4.249
   21   HG12  VAL   3          2HG1      VAL   3  -8.398  -0.934  -3.360
   22   HG13  VAL   3          3HG1      VAL   3  -8.305  -0.903  -5.134
   23   HG21  VAL   3          3HG2      VAL   3  -6.034  -1.104  -6.281
   24   HG22  VAL   3          1HG2      VAL   3  -4.558  -1.210  -5.297
   25   HG23  VAL   3          2HG2      VAL   3  -5.683  -2.577  -5.362
   26    H    GLU   4           H        GLU   4  -8.444   1.754  -4.085
   27    HA   GLU   4           HA       GLU   4  -8.535   2.396  -6.883
   28    HB2  GLU   4           2HB      GLU   4 -10.540   3.576  -6.399
   29    HB3  GLU   4           3HB      GLU   4 -10.516   2.122  -5.400
   30    HG2  GLU   4           2HG      GLU   4  -9.645   3.561  -3.491
   31    HG3  GLU   4           3HG      GLU   4  -9.922   4.977  -4.507
   32    H    GLN   5           H        GLN   5  -6.796   3.907  -4.318
   33    HA   GLN   5           HA       GLN   5  -6.427   6.450  -5.859
   34    HB2  GLN   5           2HB      GLN   5  -5.633   5.686  -3.008
   35    HB3  GLN   5           3HB      GLN   5  -5.280   7.221  -3.805
   36    HG2  GLN   5           2HG      GLN   5  -7.701   7.685  -4.039
   37    HG3  GLN   5           3HG      GLN   5  -8.086   6.142  -3.273
   38   HE21  GLN   5          2HE2      GLN   5  -7.967   5.955  -0.977
   39   HE22  GLN   5          1HE2      GLN   5  -7.580   7.351   0.030
   40    H    CYS   6           H        CYS   6  -4.440   3.902  -4.144
   41    HA   CYS   6           HA       CYS   6  -2.026   4.872  -5.325
   42    HB2  CYS   6           2HB      CYS   6  -2.615   2.119  -4.198
   43    HB3  CYS   6           3HB      CYS   6  -1.019   2.797  -4.507
   44    H    CYS   7           H        CYS   7  -4.288   2.449  -6.618
   45    HA   CYS   7           HA       CYS   7  -2.448   1.635  -8.741
   46    HB2  CYS   7           2HB      CYS   7  -4.536   0.426  -7.652
   47    HB3  CYS   7           3HB      CYS   7  -5.435   1.291  -8.891
   48    H    THR   8           H        THR   8  -4.202   4.460  -8.241
   49    HA   THR   8           HA       THR   8  -4.596   5.116 -11.137
   50    HB   THR   8           HB       THR   8  -5.885   6.308  -8.647
   51    HG1  THR   8           HG1      THR   8  -7.393   4.857  -8.869
   52   HG21  THR   8          1HG2      THR   8  -6.026   7.850 -10.550
   53   HG22  THR   8          2HG2      THR   8  -6.585   6.538 -11.612
   54   HG23  THR   8          3HG2      THR   8  -7.605   7.111 -10.274
   55    H    SER   9           H        SER   9  -3.172   6.284  -8.097
   56    HA   SER   9           HA       SER   9  -1.605   8.346  -9.553
   57    HB2  SER   9           2HB      SER   9  -3.784   9.265  -8.533
   58    HB3  SER   9           3HB      SER   9  -3.054   8.930  -6.956
   59    HG   SER   9           HG       SER   9  -2.653  11.102  -7.742
   60    H    ILE  10           H        ILE  10  -0.032   9.398  -7.847
   61    HA   ILE  10           HA       ILE  10   1.759   7.259  -7.083
   62    HB   ILE  10           HB       ILE  10   1.877  10.240  -6.485
   63   HG12  ILE  10          2HG1      ILE  10   1.943   9.759  -8.912
   64   HG13  ILE  10          3HG1      ILE  10   3.429  10.462  -8.302
   65   HG21  ILE  10          1HG2      ILE  10   4.353   9.809  -6.130
   66   HG22  ILE  10          2HG2      ILE  10   3.289   9.188  -4.872
   67   HG23  ILE  10          3HG2      ILE  10   3.976   8.071  -6.058
   68   HD11  ILE  10          3HD1      ILE  10   3.020   7.512  -8.938
   69   HD12  ILE  10          1HD1      ILE  10   3.904   8.689  -9.921
   70   HD13  ILE  10          2HD1      ILE  10   4.528   8.243  -8.324
   71    H    CYS  11           H        CYS  11   1.835   6.083  -5.348
   72    HA   CYS  11           HA       CYS  11   1.041   7.264  -2.717
   73    HB2  CYS  11           2HB      CYS  11   0.869   4.427  -3.706
   74    HB3  CYS  11           3HB      CYS  11   1.038   4.785  -1.980
   75    H    SER  12           H        SER  12   2.372   6.921  -0.959
   76    HA   SER  12           HA       SER  12   5.282   6.592  -1.457
   77    HB2  SER  12           2HB      SER  12   3.989   9.188  -0.530
   78    HB3  SER  12           3HB      SER  12   5.706   8.910  -0.842
   79    HG   SER  12           HG       SER  12   4.699  10.048  -2.550
   80    H    LEU  13           H        LEU  13   6.512   6.848   0.601
   81    HA   LEU  13           HA       LEU  13   5.524   5.342   2.660
   82    HB2  LEU  13           2HB      LEU  13   7.426   6.087   3.968
   83    HB3  LEU  13           3HB      LEU  13   7.845   5.773   2.293
   84    HG   LEU  13           HG       LEU  13   7.415   8.499   2.191
   85   HD11  LEU  13          1HD1      LEU  13   8.500   9.543   4.115
   86   HD12  LEU  13          2HD1      LEU  13   7.104   8.623   4.694
   87   HD13  LEU  13          3HD1      LEU  13   8.734   7.963   4.893
   88   HD21  LEU  13          3HD2      LEU  13   9.867   8.716   2.213
   89   HD22  LEU  13          1HD2      LEU  13  10.016   7.086   2.908
   90   HD23  LEU  13          2HD2      LEU  13   9.353   7.308   1.272
   91    H    TYR  14           H        TYR  14   5.329   8.903   2.673
   92    HA   TYR  14           HA       TYR  14   4.223   9.034   5.333
   93    HB2  TYR  14           2HB      TYR  14   3.706  11.423   4.585
   94    HB3  TYR  14           3HB      TYR  14   5.396  10.926   4.538
   95    HD1  TYR  14           HD2      TYR  14   2.386  11.597   2.441
   96    HD2  TYR  14           HD1      TYR  14   6.636  10.877   2.474
   97    HE1  TYR  14           HE2      TYR  14   2.478  12.091   0.015
   98    HE2  TYR  14           HE1      TYR  14   6.750  11.409   0.055
   99    HH   TYR  14           HH       TYR  14   3.840  12.371  -1.834
  100    H    GLN  15           H        GLN  15   2.757   8.441   2.258
  101    HA   GLN  15           HA       GLN  15  -0.044   8.979   3.178
  102    HB2  GLN  15           2HB      GLN  15   1.287   8.053   0.600
  103    HB3  GLN  15           3HB      GLN  15  -0.445   7.845   0.857
  104    HG2  GLN  15           2HG      GLN  15  -0.702  10.288   1.162
  105    HG3  GLN  15           3HG      GLN  15   1.015  10.491   0.806
  106   HE21  GLN  15          2HE2      GLN  15   1.779   9.738  -1.453
  107   HE22  GLN  15          1HE2      GLN  15   0.577   9.650  -2.734
  108    H    LEU  16           H        LEU  16   2.097   6.236   2.264
  109    HA   LEU  16           HA       LEU  16   0.308   4.123   2.785
  110    HB2  LEU  16           2HB      LEU  16   3.305   4.453   2.805
  111    HB3  LEU  16           3HB      LEU  16   2.581   2.871   3.031
  112    HG   LEU  16           HG       LEU  16   2.122   4.612   0.561
  113   HD11  LEU  16          1HD1      LEU  16   4.480   3.970   0.759
  114   HD12  LEU  16          2HD1      LEU  16   4.028   2.275   1.045
  115   HD13  LEU  16          3HD1      LEU  16   3.712   3.039  -0.534
  116   HD21  LEU  16          3HD2      LEU  16   1.617   1.651   1.006
  117   HD22  LEU  16          1HD2      LEU  16   0.339   2.890   1.019
  118   HD23  LEU  16          2HD2      LEU  16   1.266   2.579  -0.463
  119    H    GLU  17           H        GLU  17   2.463   5.849   5.033
  120    HA   GLU  17           HA       GLU  17   2.296   4.116   7.219
  121    HB2  GLU  17           2HB      GLU  17   3.725   6.186   6.906
  122    HB3  GLU  17           3HB      GLU  17   2.332   7.157   7.391
  123    HG2  GLU  17           2HG      GLU  17   2.291   5.995   9.578
  124    HG3  GLU  17           3HG      GLU  17   3.596   4.928   9.052
  125    H    ASN  18           H        ASN  18  -0.196   6.292   6.011
  126    HA   ASN  18           HA       ASN  18  -1.839   6.396   8.369
  127    HB2  ASN  18           2HB      ASN  18  -2.553   6.680   5.419
  128    HB3  ASN  18           3HB      ASN  18  -3.643   7.028   6.733
  129   HD21  ASN  18          2HD2      ASN  18  -0.935   8.188   4.944
  130   HD22  ASN  18          1HD2      ASN  18  -0.751   9.732   5.778
  131    H    TYR  19           H        TYR  19  -1.274   3.778   6.171
  132    HA   TYR  19           HA       TYR  19  -3.666   2.304   7.183
  133    HB2  TYR  19           2HB      TYR  19  -1.951   1.475   4.853
  134    HB3  TYR  19           3HB      TYR  19  -3.593   0.980   5.233
  135    HD1  TYR  19           HD2      TYR  19  -5.510   2.646   4.818
  136    HD2  TYR  19           HD1      TYR  19  -1.457   3.413   3.632
  137    HE1  TYR  19           HE2      TYR  19  -6.295   4.473   3.323
  138    HE2  TYR  19           HE1      TYR  19  -2.200   5.246   2.142
  139    HH   TYR  19           HH       TYR  19  -5.689   6.121   1.837
  140    H    CYS  20           H        CYS  20  -0.697   2.759   8.242
  141    HA   CYS  20           HA       CYS  20   0.351   0.064   8.585
  142    HB2  CYS  20           2HB      CYS  20   1.773   2.045   8.535
  143    HB3  CYS  20           3HB      CYS  20   0.967   2.693   9.961
  144    H    ASN  21           H        ASN  21   0.004  -1.376  10.275
  145    HA   ASN  21           HA       ASN  21  -2.269  -1.098  12.002
  146    HB2  ASN  21           2HB      ASN  21   0.083  -3.028  11.954
  147    HB3  ASN  21           3HB      ASN  21  -1.192  -3.141  13.157
  148   HD21  ASN  21          2HD2      ASN  21  -0.601  -5.203  11.682
  149   HD22  ASN  21          1HD2      ASN  21  -2.005  -5.513  10.682
  150    H1   PHE   1           H        PHE   1  11.775   0.526  -1.564
  151    HA   PHE   1           HA       PHE   1  10.707   0.059  -4.161
  152    HB2  PHE   1           2HB      PHE   1   8.403   0.279  -3.912
  153    HB3  PHE   1           3HB      PHE   1   8.870  -0.888  -2.696
  154    HD1  PHE   1           HD1      PHE   1   9.166  -0.076  -0.283
  155    HD2  PHE   1           HD2      PHE   1   7.297   2.299  -3.331
  156    HE1  PHE   1           HE1      PHE   1   8.109   1.335   1.477
  157    HE2  PHE   1           HE2      PHE   1   6.251   3.736  -1.585
  158    HZ   PHE   1           HZ       PHE   1   6.651   3.249   0.819
  159    H    VAL   2           H        VAL   2   9.496   2.077  -4.968
  160    HA   VAL   2           HA       VAL   2  10.312   4.622  -3.677
  161    HB   VAL   2           HB       VAL   2  10.936   5.630  -5.838
  162   HG11  VAL   2          1HG1      VAL   2  12.682   4.803  -4.290
  163   HG12  VAL   2          2HG1      VAL   2  12.704   3.247  -5.154
  164   HG13  VAL   2          3HG1      VAL   2  13.189   4.738  -5.986
  165   HG21  VAL   2          3HG2      VAL   2  10.919   2.799  -6.977
  166   HG22  VAL   2          1HG2      VAL   2   9.816   4.122  -7.427
  167   HG23  VAL   2          2HG2      VAL   2  11.540   4.252  -7.783
  168    H    ASN   3           H        ASN   3   9.053   6.436  -4.310
  169    HA   ASN   3           HA       ASN   3   6.283   6.075  -4.318
  170    HB2  ASN   3           2HB      ASN   3   7.852   8.481  -5.294
  171    HB3  ASN   3           3HB      ASN   3   6.168   8.478  -4.785
  172   HD21  ASN   3          2HD2      ASN   3   8.013  10.219  -3.616
  173   HD22  ASN   3          1HD2      ASN   3   8.289   9.718  -1.959
  174    H    GLN   4           H        GLN   4   4.843   5.424  -5.741
  175    HA   GLN   4           HA       GLN   4   4.846   6.059  -8.555
  176    HB2  GLN   4           2HB      GLN   4   5.370   3.963  -9.524
  177    HB3  GLN   4           3HB      GLN   4   6.712   4.412  -8.494
  178    HG2  GLN   4           2HG      GLN   4   5.681   2.892  -6.698
  179    HG3  GLN   4           3HG      GLN   4   4.573   2.311  -7.946
  180   HE21  GLN   4          2HE2      GLN   4   8.016   2.598  -7.060
  181   HE22  GLN   4          1HE2      GLN   4   8.567   1.275  -8.095
  182    H    HIS   5           H        HIS   5   3.244   4.342  -9.671
  183    HA   HIS   5           HA       HIS   5   0.721   4.579  -8.251
  184    HB2  HIS   5           2HB      HIS   5   1.347   3.385 -10.973
  185    HB3  HIS   5           3HB      HIS   5  -0.241   3.855 -10.361
  186    HD2  HIS   5           HD2      HIS   5   2.870   5.255 -12.017
  187    HE1  HIS   5           HE1      HIS   5   0.339   8.608 -11.340
  188    HE2  HIS   5           HE2      HIS   5   2.462   7.809 -12.500
  189    H    LEU   6           H        LEU   6   1.884   3.082  -6.576
  190    HA   LEU   6           HA       LEU   6   2.317   0.323  -6.897
  191    HB2  LEU   6           2HB      LEU   6   1.349   1.869  -4.457
  192    HB3  LEU   6           3HB      LEU   6   2.003   0.240  -4.396
  193    HG   LEU   6           HG       LEU   6   3.618   2.623  -5.400
  194   HD11  LEU   6          1HD1      LEU   6   3.402   1.417  -2.630
  195   HD12  LEU   6          2HD1      LEU   6   4.644   2.591  -3.136
  196   HD13  LEU   6          3HD1      LEU   6   2.936   3.056  -3.117
  197   HD21  LEU   6          3HD2      LEU   6   4.466  -0.143  -4.426
  198   HD22  LEU   6          1HD2      LEU   6   4.498   0.414  -6.116
  199   HD23  LEU   6          2HD2      LEU   6   5.556   1.165  -4.914
  200    H    CYS   7           H        CYS   7   1.070  -1.496  -6.982
  201    HA   CYS   7           HA       CYS   7  -1.772  -1.434  -6.159
  202    HB2  CYS   7           2HB      CYS   7  -1.537  -0.377  -8.435
  203    HB3  CYS   7           3HB      CYS   7  -0.991  -1.927  -9.056
  204    H    GLY   8           H        GLY   8  -2.535  -3.400  -5.554
  205    HA2  GLY   8           HA2      GLY   8  -2.566  -5.668  -5.043
  206    HA3  GLY   8           HA3      GLY   8  -1.604  -5.935  -6.503
  207    H    SER   9           H        SER   9   0.198  -7.010  -6.083
  208    HA   SER   9           HA       SER   9   1.376  -7.458  -3.534
  209    HB2  SER   9           2HB      SER   9   3.291  -8.333  -4.920
  210    HB3  SER   9           3HB      SER   9   1.705  -9.035  -5.274
  211    HG   SER   9           HG       SER   9   2.873  -8.481  -7.195
  212    H    HIS  10           H        HIS  10   2.285  -5.077  -6.084
  213    HA   HIS  10           HA       HIS  10   4.552  -3.934  -4.811
  214    HB2  HIS  10           2HB      HIS  10   2.457  -2.925  -6.740
  215    HB3  HIS  10           3HB      HIS  10   3.593  -1.796  -6.022
  216    HD2  HIS  10           HD2      HIS  10   5.248  -5.109  -6.675
  217    HE1  HIS  10           HE1      HIS  10   6.317  -2.551  -9.910
  218    HE2  HIS  10           HE2      HIS  10   6.812  -4.783  -8.771
  219    H    LEU  11           H        LEU  11   1.099  -3.223  -4.321
  220    HA   LEU  11           HA       LEU  11   1.553  -1.037  -2.477
  221    HB2  LEU  11           2HB      LEU  11  -0.602  -1.966  -3.944
  222    HB3  LEU  11           3HB      LEU  11  -1.018  -2.546  -2.345
  223    HG   LEU  11           HG       LEU  11  -0.518   0.322  -3.231
  224   HD11  LEU  11          1HD1      LEU  11  -2.903   0.597  -2.580
  225   HD12  LEU  11          2HD1      LEU  11  -2.705  -0.634  -3.838
  226   HD13  LEU  11          3HD1      LEU  11  -2.986  -1.116  -2.149
  227   HD21  LEU  11          3HD2      LEU  11   0.383   0.143  -0.958
  228   HD22  LEU  11          1HD2      LEU  11  -1.132   1.031  -0.953
  229   HD23  LEU  11          2HD2      LEU  11  -1.106  -0.668  -0.416
  230    H    VAL  12           H        VAL  12   0.794  -4.508  -2.055
  231    HA   VAL  12           HA       VAL  12   0.803  -4.510   0.803
  232    HB   VAL  12           HB       VAL  12   1.503  -6.710  -1.203
  233   HG11  VAL  12          1HG1      VAL  12   2.605  -7.395   0.866
  234   HG12  VAL  12          2HG1      VAL  12   1.129  -7.071   1.799
  235   HG13  VAL  12          3HG1      VAL  12   1.169  -8.379   0.604
  236   HG21  VAL  12          3HG2      VAL  12  -0.999  -6.237   0.465
  237   HG22  VAL  12          1HG2      VAL  12  -0.834  -6.003  -1.288
  238   HG23  VAL  12          2HG2      VAL  12  -0.710  -7.622  -0.613
  239    H    GLU  13           H        GLU  13   3.569  -5.196  -1.435
  240    HA   GLU  13           HA       GLU  13   5.380  -5.601   0.746
  241    HB2  GLU  13           2HB      GLU  13   7.120  -5.768  -0.799
  242    HB3  GLU  13           3HB      GLU  13   5.707  -6.497  -1.555
  243    HG2  GLU  13           2HG      GLU  13   5.401  -4.464  -2.923
  244    HG3  GLU  13           3HG      GLU  13   6.818  -3.727  -2.175
  245    H    ALA  14           H        ALA  14   4.543  -2.630  -1.077
  246    HA   ALA  14           HA       ALA  14   6.475  -0.920   0.157
  247    HB1  ALA  14           3HB      ALA  14   5.209  -0.349  -1.889
  248    HB2  ALA  14           1HB      ALA  14   3.688  -0.350  -0.956
  249    HB3  ALA  14           2HB      ALA  14   4.944   0.857  -0.624
  250    H    LEU  15           H        LEU  15   3.023  -1.582   1.029
  251    HA   LEU  15           HA       LEU  15   2.958  -0.017   3.379
  252    HB2  LEU  15           2HB      LEU  15   1.484  -2.531   2.540
  253    HB3  LEU  15           3HB      LEU  15   1.219  -1.772   4.117
  254    HG   LEU  15           HG       LEU  15   0.739  -0.353   1.498
  255   HD11  LEU  15          1HD1      LEU  15  -1.193  -1.720   3.421
  256   HD12  LEU  15          2HD1      LEU  15  -1.653  -0.770   1.999
  257   HD13  LEU  15          3HD1      LEU  15  -0.751  -2.279   1.790
  258   HD21  LEU  15          3HD2      LEU  15  -0.025   0.316   4.382
  259   HD22  LEU  15          1HD2      LEU  15   1.169   1.184   3.409
  260   HD23  LEU  15          2HD2      LEU  15  -0.531   1.228   2.937
  261    H    TYR  16           H        TYR  16   4.028  -3.410   2.983
  262    HA   TYR  16           HA       TYR  16   4.676  -3.808   5.759
  263    HB2  TYR  16           2HB      TYR  16   4.358  -5.721   4.390
  264    HB3  TYR  16           3HB      TYR  16   5.518  -5.160   3.187
  265    HD1  TYR  16           HD2      TYR  16   5.339  -6.111   6.835
  266    HD2  TYR  16           HD1      TYR  16   7.741  -5.872   3.264
  267    HE1  TYR  16           HE2      TYR  16   7.246  -7.123   8.060
  268    HE2  TYR  16           HE1      TYR  16   9.666  -6.848   4.483
  269    HH   TYR  16           HH       TYR  16   9.446  -7.816   7.946
  270    H    LEU  17           H        LEU  17   6.748  -2.641   3.008
  271    HA   LEU  17           HA       LEU  17   9.117  -2.432   4.644
  272    HB2  LEU  17           2HB      LEU  17   8.293  -1.697   1.892
  273    HB3  LEU  17           3HB      LEU  17   9.412  -0.551   2.610
  274    HG   LEU  17           HG       LEU  17  11.024  -2.330   3.089
  275   HD11  LEU  17          1HD1      LEU  17  10.751  -4.590   2.098
  276   HD12  LEU  17          2HD1      LEU  17   9.563  -4.280   3.365
  277   HD13  LEU  17          3HD1      LEU  17   9.078  -4.193   1.654
  278   HD21  LEU  17          3HD2      LEU  17  11.700  -2.757   0.760
  279   HD22  LEU  17          1HD2      LEU  17  10.077  -2.315   0.189
  280   HD23  LEU  17          2HD2      LEU  17  11.124  -1.094   0.951
  281    H    VAL  18           H        VAL  18   6.527  -0.090   3.990
  282    HA   VAL  18           HA       VAL  18   7.732   2.076   5.494
  283    HB   VAL  18           HB       VAL  18   4.829   1.495   4.784
  284   HG11  VAL  18          1HG1      VAL  18   4.777   3.012   6.721
  285   HG12  VAL  18          2HG1      VAL  18   6.013   4.051   5.969
  286   HG13  VAL  18          3HG1      VAL  18   4.398   3.905   5.248
  287   HG21  VAL  18          3HG2      VAL  18   5.177   3.183   3.073
  288   HG22  VAL  18          1HG2      VAL  18   6.841   3.479   3.637
  289   HG23  VAL  18          2HG2      VAL  18   6.397   1.934   2.899
  290    H    CYS  19           H        CYS  19   5.132  -0.232   6.371
  291    HA   CYS  19           HA       CYS  19   4.953   0.755   9.076
  292    HB2  CYS  19           2HB      CYS  19   3.126  -0.256   7.587
  293    HB3  CYS  19           3HB      CYS  19   3.822  -1.824   7.946
  294    H    GLY  20           H        GLY  20   6.777  -1.935   7.729
  295    HA2  GLY  20           HA2      GLY  20   8.429  -3.255   8.709
  296    HA3  GLY  20           HA3      GLY  20   8.081  -2.534  10.295
  297    H    GLU  21           H        GLU  21   8.269  -4.673  11.121
  298    HA   GLU  21           HA       GLU  21   6.708  -6.900  10.391
  299    HB2  GLU  21           2HB      GLU  21   7.431  -7.888  12.471
  300    HB3  GLU  21           3HB      GLU  21   8.758  -7.009  11.719
  301    HG2  GLU  21           2HG      GLU  21   8.369  -5.101  13.294
  302    HG3  GLU  21           3HG      GLU  21   7.059  -6.008  14.053
  303    H    ARG  22           H        ARG  22   5.539  -4.103  11.896
  304    HA   ARG  22           HA       ARG  22   3.344  -4.992  13.488
  305    HB2  ARG  22           2HB      ARG  22   3.854  -2.589  11.707
  306    HB3  ARG  22           3HB      ARG  22   2.354  -2.760  12.625
  307    HG2  ARG  22           2HG      ARG  22   3.543  -2.748  14.728
  308    HG3  ARG  22           3HG      ARG  22   5.119  -2.739  13.906
  309    HD2  ARG  22           2HD      ARG  22   4.720  -0.557  12.965
  310    HD3  ARG  22           3HD      ARG  22   3.036  -0.559  13.465
  311    HE   ARG  22           HE       ARG  22   5.420  -0.122  15.166
  312   HH11  ARG  22          1HH2      ARG  22   1.876  -0.378  15.094
  313   HH12  ARG  22          2HH2      ARG  22   1.722   0.280  16.699
  314   HH21  ARG  22          1HH1      ARG  22   5.126   0.743  17.206
  315   HH22  ARG  22          2HH1      ARG  22   3.528   0.921  17.864
  316    H    GLY  23           H        GLY  23   3.736  -4.807   9.956
  317    HA2  GLY  23           HA2      GLY  23   2.427  -5.638   8.217
  318    HA3  GLY  23           HA3      GLY  23   1.356  -6.398   9.409
  319    H    HIS  24           H        HIS  24  -0.191  -5.681   7.675
  320    HA   HIS  24           HA       HIS  24  -1.445  -3.112   8.423
  321    HB2  HIS  24           2HB      HIS  24  -1.574  -2.424   6.016
  322    HB3  HIS  24           3HB      HIS  24   0.026  -2.344   6.736
  323    HD2  HIS  24           HD2      HIS  24   1.939  -3.742   5.686
  324    HE1  HIS  24           HE1      HIS  24  -0.286  -5.580   2.560
  325    HE2  HIS  24           HE2      HIS  24   2.050  -5.182   3.480
  326    H    PHE  25           H        PHE  25  -3.586  -2.852   7.738
  327    HA   PHE  25           HA       PHE  25  -5.084  -5.347   7.736
  328    HB2  PHE  25           2HB      PHE  25  -7.016  -3.819   8.041
  329    HB3  PHE  25           3HB      PHE  25  -5.736  -3.601   9.215
  330    HD1  PHE  25           HD1      PHE  25  -7.148  -2.142   6.049
  331    HD2  PHE  25           HD2      PHE  25  -4.756  -1.458   9.579
  332    HE1  PHE  25           HE1      PHE  25  -7.096   0.286   5.549
  333    HE2  PHE  25           HE2      PHE  25  -4.745   0.971   9.092
  334    HZ   PHE  25           HZ       PHE  25  -5.938   1.853   7.094
  335    H    TYR  26           H        TYR  26  -3.943  -3.422   5.153
  336    HA   TYR  26           HA       TYR  26  -6.164  -3.492   3.371
  337    HB2  TYR  26           2HB      TYR  26  -4.422  -1.965   2.918
  338    HB3  TYR  26           3HB      TYR  26  -3.178  -3.199   3.055
  339    HD1  TYR  26           HD2      TYR  26  -6.292  -2.716   0.948
  340    HD2  TYR  26           HD1      TYR  26  -2.132  -3.830   1.088
  341    HE1  TYR  26           HE2      TYR  26  -6.340  -3.226  -1.486
  342    HE2  TYR  26           HE1      TYR  26  -2.148  -4.222  -1.350
  343    HH   TYR  26           HH       TYR  26  -3.400  -4.269  -3.267
  344    H    THR  27           H        THR  27  -3.669  -5.906   3.967
  345    HA   THR  27           HA       THR  27  -3.054  -7.346   1.966
  346    HB   THR  27           HB       THR  27  -3.410  -9.520   3.190
  347    HG1  THR  27           HG1      THR  27  -5.278  -8.799   4.336
  348   HG21  THR  27          1HG2      THR  27  -2.141  -7.201   4.717
  349   HG22  THR  27          2HG2      THR  27  -1.815  -8.929   4.958
  350   HG23  THR  27          3HG2      THR  27  -1.367  -8.152   3.431
  351    HA   PRO  28           HA       PRO  28  -6.949  -7.587  -0.178
  352    HB2  PRO  28           2HB      PRO  28  -6.099  -7.936  -2.749
  353    HB3  PRO  28           3HB      PRO  28  -5.921  -6.397  -1.849
  354    HG2  PRO  28           2HG      PRO  28  -3.857  -8.594  -2.214
  355    HG3  PRO  28           3HG      PRO  28  -3.647  -6.830  -2.465
  356    HD2  PRO  28           2HD      PRO  28  -2.915  -8.053  -0.149
  357    HD3  PRO  28           3HD      PRO  28  -3.632  -6.412  -0.138
  358    H    LYS  29           H        LYS  29  -8.268  -9.047  -1.438
  359    HA   LYS  29           HA       LYS  29  -7.344 -11.745  -2.065
  360    HB2  LYS  29           2HB      LYS  29  -7.857 -11.971   0.337
  361    HB3  LYS  29           3HB      LYS  29  -9.473 -11.291   0.077
  362    HG2  LYS  29           2HG      LYS  29 -10.047 -13.176  -1.380
  363    HG3  LYS  29           3HG      LYS  29  -8.425 -13.869  -1.179
  364    HD2  LYS  29           2HD      LYS  29  -8.911 -14.166   1.243
  365    HD3  LYS  29           3HD      LYS  29 -10.528 -13.481   1.005
  366    HE2  LYS  29           2HE      LYS  29  -9.424 -15.999  -0.338
  367    HE3  LYS  29           3HE      LYS  29 -10.533 -15.977   1.035
  368    HZ1  LYS  29           HZ1      LYS  29 -11.731 -16.319  -1.026
  369    HZ2  LYS  29           HZ2      LYS  29 -12.173 -14.877  -0.402
  370    HZ3  LYS  29           HZ3      LYS  29 -11.161 -14.941  -1.691
  371    H    THR  30           H        THR  30  -8.518 -12.717  -3.615
  372    HA   THR  30           HA       THR  30 -10.798 -11.363  -4.952
  373    HB   THR  30           HB       THR  30  -9.397 -13.985  -5.595
  374    HG1  THR  30           HG1      THR  30  -8.137 -12.079  -5.844
  375   HG21  THR  30          1HG2      THR  30 -10.480 -13.702  -7.825
  376   HG22  THR  30          2HG2      THR  30 -11.668 -13.967  -6.544
  377   HG23  THR  30          3HG2      THR  30 -11.412 -12.329  -7.187
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1 -11.338   5.788  -1.067
    2    H2   GLY   1           2H       GLY   1 -10.598   5.431  -2.480
    3    H3   GLY   1           3H       GLY   1  -9.773   6.232  -1.303
    4    HA2  GLY   1           HA2      GLY   1  -9.998   4.299   0.177
    5    HA3  GLY   1           HA3      GLY   1 -10.697   3.430  -1.203
    6    H    ILE   2           H        ILE   2  -8.336   2.632   0.201
    7    HA   ILE   2           HA       ILE   2  -5.941   3.729  -0.674
    8    HB   ILE   2           HB       ILE   2  -6.159   2.287   1.258
    9   HG12  ILE   2          2HG1      ILE   2  -4.036   1.448  -0.756
   10   HG13  ILE   2          3HG1      ILE   2  -3.973   2.797   0.375
   11   HG21  ILE   2          1HG2      ILE   2  -6.294  -0.080   1.243
   12   HG22  ILE   2          2HG2      ILE   2  -7.602   0.468   0.204
   13   HG23  ILE   2          3HG2      ILE   2  -6.103  -0.180  -0.512
   14   HD11  ILE   2          3HD1      ILE   2  -2.652   1.109   1.344
   15   HD12  ILE   2          1HD1      ILE   2  -4.182   1.007   2.239
   16   HD13  ILE   2          2HD1      ILE   2  -3.822  -0.171   0.959
   17    H    VAL   3           H        VAL   3  -7.187   0.672  -2.151
   18    HA   VAL   3           HA       VAL   3  -5.116   0.784  -4.150
   19    HB   VAL   3           HB       VAL   3  -6.150  -1.308  -3.360
   20   HG11  VAL   3          1HG1      VAL   3  -8.550  -0.661  -3.416
   21   HG12  VAL   3          2HG1      VAL   3  -8.494  -0.649  -5.193
   22   HG13  VAL   3          3HG1      VAL   3  -8.225  -2.157  -4.302
   23   HG21  VAL   3          3HG2      VAL   3  -6.257  -0.995  -6.386
   24   HG22  VAL   3          1HG2      VAL   3  -4.778  -1.214  -5.426
   25   HG23  VAL   3          2HG2      VAL   3  -6.004  -2.492  -5.472
   26    H    GLU   4           H        GLU   4  -8.417   2.021  -4.107
   27    HA   GLU   4           HA       GLU   4  -8.730   2.709  -6.867
   28    HB2  GLU   4           2HB      GLU   4 -10.573   2.703  -5.312
   29    HB3  GLU   4           3HB      GLU   4  -9.769   3.856  -4.261
   30    HG2  GLU   4           2HG      GLU   4  -9.998   5.609  -6.040
   31    HG3  GLU   4           3HG      GLU   4 -10.897   4.438  -7.017
   32    H    GLN   5           H        GLN   5  -7.001   4.312  -4.186
   33    HA   GLN   5           HA       GLN   5  -6.235   6.642  -5.835
   34    HB2  GLN   5           2HB      GLN   5  -5.638   5.735  -2.986
   35    HB3  GLN   5           3HB      GLN   5  -4.929   7.182  -3.711
   36    HG2  GLN   5           2HG      GLN   5  -7.043   8.262  -3.940
   37    HG3  GLN   5           3HG      GLN   5  -7.946   6.775  -3.665
   38   HE21  GLN   5          2HE2      GLN   5  -5.449   8.737  -1.853
   39   HE22  GLN   5          1HE2      GLN   5  -6.307   8.580  -0.329
   40    H    CYS   6           H        CYS   6  -4.382   3.963  -4.182
   41    HA   CYS   6           HA       CYS   6  -1.923   4.839  -5.329
   42    HB2  CYS   6           2HB      CYS   6  -2.637   2.109  -4.218
   43    HB3  CYS   6           3HB      CYS   6  -1.016   2.750  -4.454
   44    H    CYS   7           H        CYS   7  -4.294   2.576  -6.670
   45    HA   CYS   7           HA       CYS   7  -2.462   1.607  -8.742
   46    HB2  CYS   7           2HB      CYS   7  -4.570   0.496  -7.675
   47    HB3  CYS   7           3HB      CYS   7  -5.474   1.440  -8.854
   48    H    THR   8           H        THR   8  -4.081   4.532  -8.292
   49    HA   THR   8           HA       THR   8  -4.292   5.212 -11.203
   50    HB   THR   8           HB       THR   8  -5.660   6.476  -8.791
   51    HG1  THR   8           HG1      THR   8  -7.034   4.951  -8.964
   52   HG21  THR   8          1HG2      THR   8  -6.149   6.755 -11.794
   53   HG22  THR   8          2HG2      THR   8  -7.227   7.375 -10.521
   54   HG23  THR   8          3HG2      THR   8  -5.595   8.030 -10.683
   55    H    SER   9           H        SER   9  -2.946   6.273  -8.089
   56    HA   SER   9           HA       SER   9  -1.223   8.270  -9.465
   57    HB2  SER   9           2HB      SER   9  -3.388   9.272  -8.486
   58    HB3  SER   9           3HB      SER   9  -2.707   8.890  -6.898
   59    HG   SER   9           HG       SER   9  -2.198  11.051  -7.663
   60    H    ILE  10           H        ILE  10   0.288   9.259  -7.634
   61    HA   ILE  10           HA       ILE  10   1.991   7.073  -6.762
   62    HB   ILE  10           HB       ILE  10   2.111  10.034  -6.067
   63   HG12  ILE  10          2HG1      ILE  10   2.321   9.719  -8.491
   64   HG13  ILE  10          3HG1      ILE  10   3.808  10.295  -7.764
   65   HG21  ILE  10          1HG2      ILE  10   3.408   8.877  -4.420
   66   HG22  ILE  10          2HG2      ILE  10   4.160   7.818  -5.618
   67   HG23  ILE  10          3HG2      ILE  10   4.553   9.548  -5.576
   68   HD11  ILE  10          3HD1      ILE  10   3.271   7.425  -8.634
   69   HD12  ILE  10          1HD1      ILE  10   4.274   8.615  -9.475
   70   HD13  ILE  10          2HD1      ILE  10   4.781   8.020  -7.886
   71    H    CYS  11           H        CYS  11   2.111   6.015  -4.911
   72    HA   CYS  11           HA       CYS  11   0.975   7.256  -2.427
   73    HB2  CYS  11           2HB      CYS  11   0.865   4.393  -3.349
   74    HB3  CYS  11           3HB      CYS  11   0.845   4.805  -1.630
   75    H    SER  12           H        SER  12   2.673   8.174  -1.546
   76    HA   SER  12           HA       SER  12   5.299   6.818  -1.344
   77    HB2  SER  12           2HB      SER  12   4.296   9.537  -0.471
   78    HB3  SER  12           3HB      SER  12   5.989   9.009  -0.409
   79    HG   SER  12           HG       SER  12   5.399  10.279  -2.300
   80    H    LEU  13           H        LEU  13   6.444   7.143   0.854
   81    HA   LEU  13           HA       LEU  13   5.377   5.414   2.711
   82    HB2  LEU  13           2HB      LEU  13   7.178   6.125   4.183
   83    HB3  LEU  13           3HB      LEU  13   7.705   5.942   2.520
   84    HG   LEU  13           HG       LEU  13   7.201   8.651   2.568
   85   HD11  LEU  13          1HD1      LEU  13   8.349   7.984   5.319
   86   HD12  LEU  13          2HD1      LEU  13   8.110   9.601   4.623
   87   HD13  LEU  13          3HD1      LEU  13   6.713   8.603   5.048
   88   HD21  LEU  13          3HD2      LEU  13   9.788   7.266   3.381
   89   HD22  LEU  13          1HD2      LEU  13   9.238   7.578   1.720
   90   HD23  LEU  13          2HD2      LEU  13   9.638   8.934   2.783
   91    H    TYR  14           H        TYR  14   5.067   8.961   2.912
   92    HA   TYR  14           HA       TYR  14   3.839   8.921   5.517
   93    HB2  TYR  14           2HB      TYR  14   3.259  11.321   4.855
   94    HB3  TYR  14           3HB      TYR  14   4.968  10.886   4.906
   95    HD1  TYR  14           HD2      TYR  14   2.083  11.519   2.636
   96    HD2  TYR  14           HD1      TYR  14   6.352  11.016   2.945
   97    HE1  TYR  14           HE2      TYR  14   2.311  12.102   0.240
   98    HE2  TYR  14           HE1      TYR  14   6.609  11.695   0.573
   99    HH   TYR  14           HH       TYR  14   3.785  12.546  -1.491
  100    H    GLN  15           H        GLN  15   2.528   8.430   2.360
  101    HA   GLN  15           HA       GLN  15  -0.331   8.853   3.136
  102    HB2  GLN  15           2HB      GLN  15   1.179   7.874   0.687
  103    HB3  GLN  15           3HB      GLN  15  -0.573   7.764   0.788
  104    HG2  GLN  15           2HG      GLN  15  -0.850  10.118   0.718
  105    HG3  GLN  15           3HG      GLN  15   0.868  10.403   1.007
  106   HE21  GLN  15          2HE2      GLN  15  -1.507   9.522  -1.502
  107   HE22  GLN  15          1HE2      GLN  15  -0.313   9.388  -2.795
  108    H    LEU  16           H        LEU  16   1.925   6.173   2.267
  109    HA   LEU  16           HA       LEU  16   0.149   4.033   2.726
  110    HB2  LEU  16           2HB      LEU  16   3.145   4.400   2.761
  111    HB3  LEU  16           3HB      LEU  16   2.444   2.805   2.968
  112    HG   LEU  16           HG       LEU  16   1.945   4.572   0.526
  113   HD11  LEU  16          1HD1      LEU  16   4.303   3.981   0.688
  114   HD12  LEU  16          2HD1      LEU  16   3.899   2.270   0.971
  115   HD13  LEU  16          3HD1      LEU  16   3.548   3.032  -0.601
  116   HD21  LEU  16          3HD2      LEU  16   1.140   2.514  -0.522
  117   HD22  LEU  16          1HD2      LEU  16   1.486   1.596   0.954
  118   HD23  LEU  16          2HD2      LEU  16   0.193   2.820   0.948
  119    H    GLU  17           H        GLU  17   2.272   5.714   5.046
  120    HA   GLU  17           HA       GLU  17   2.086   3.897   7.160
  121    HB2  GLU  17           2HB      GLU  17   3.528   5.964   6.952
  122    HB3  GLU  17           3HB      GLU  17   2.137   6.926   7.461
  123    HG2  GLU  17           2HG      GLU  17   2.063   5.681   9.602
  124    HG3  GLU  17           3HG      GLU  17   3.364   4.622   9.052
  125    H    ASN  18           H        ASN  18  -0.390   6.111   6.016
  126    HA   ASN  18           HA       ASN  18  -2.072   6.128   8.342
  127    HB2  ASN  18           2HB      ASN  18  -2.753   6.427   5.384
  128    HB3  ASN  18           3HB      ASN  18  -3.869   6.741   6.681
  129   HD21  ASN  18          1HD2      ASN  18  -1.280   8.019   4.866
  130   HD22  ASN  18          2HD2      ASN  18  -1.094   9.542   5.735
  131    H    TYR  19           H        TYR  19  -1.414   3.545   6.131
  132    HA   TYR  19           HA       TYR  19  -3.806   2.040   7.081
  133    HB2  TYR  19           2HB      TYR  19  -2.084   1.258   4.750
  134    HB3  TYR  19           3HB      TYR  19  -3.726   0.761   5.110
  135    HD1  TYR  19           HD2      TYR  19  -5.619   2.533   4.832
  136    HD2  TYR  19           HD1      TYR  19  -1.603   3.126   3.434
  137    HE1  TYR  19           HE2      TYR  19  -6.407   4.373   3.357
  138    HE2  TYR  19           HE1      TYR  19  -2.355   4.972   1.961
  139    HH   TYR  19           HH       TYR  19  -5.817   5.971   1.809
  140    H    CYS  20           H        CYS  20  -0.825   2.504   8.123
  141    HA   CYS  20           HA       CYS  20   0.150  -0.239   8.525
  142    HB2  CYS  20           2HB      CYS  20   1.688   1.643   8.321
  143    HB3  CYS  20           3HB      CYS  20   0.948   2.431   9.712
  144    H    ASN  21           H        ASN  21  -0.234  -1.556  10.325
  145    HA   ASN  21           HA       ASN  21  -2.513  -0.953  11.992
  146    HB2  ASN  21           2HB      ASN  21  -0.441  -3.179  12.155
  147    HB3  ASN  21           3HB      ASN  21  -1.851  -3.062  13.196
  148   HD21  ASN  21          1HD2      ASN  21  -1.696  -5.359  11.865
  149   HD22  ASN  21          2HD2      ASN  21  -2.859  -5.391  10.553
  150    H1   PHE   1           H        PHE   1  10.637  -0.399  -3.050
  151    HA   PHE   1           HA       PHE   1   9.487   0.225  -5.081
  152    HB2  PHE   1           2HB      PHE   1   7.239   0.543  -4.344
  153    HB3  PHE   1           3HB      PHE   1   8.059  -0.580  -3.282
  154    HD1  PHE   1           HD2      PHE   1   6.600   2.784  -3.581
  155    HD2  PHE   1           HD1      PHE   1   8.600   0.024  -0.971
  156    HE1  PHE   1           HE2      PHE   1   5.876   4.136  -1.610
  157    HE2  PHE   1           HE1      PHE   1   7.882   1.361   1.011
  158    HZ   PHE   1           HZ       PHE   1   6.496   3.401   0.684
  159    H    VAL   2           H        VAL   2  10.787   2.738  -3.423
  160    HA   VAL   2           HA       VAL   2  11.665   4.649  -4.148
  161    HB   VAL   2           HB       VAL   2  10.358   4.041  -6.848
  162   HG11  VAL   2          1HG1      VAL   2  12.695   5.878  -6.174
  163   HG12  VAL   2          2HG1      VAL   2  12.236   5.371  -7.814
  164   HG13  VAL   2          3HG1      VAL   2  11.125   6.354  -6.867
  165   HG21  VAL   2          3HG2      VAL   2  13.131   3.327  -5.778
  166   HG22  VAL   2          1HG2      VAL   2  11.819   2.179  -6.120
  167   HG23  VAL   2          2HG2      VAL   2  12.569   3.067  -7.443
  168    H    ASN   3           H        ASN   3   8.316   4.449  -4.750
  169    HA   ASN   3           HA       ASN   3   6.682   5.947  -3.970
  170    HB2  ASN   3           2HB      ASN   3   8.453   8.279  -4.772
  171    HB3  ASN   3           3HB      ASN   3   6.798   8.363  -4.212
  172   HD21  ASN   3          2HD2      ASN   3   7.862   5.975  -2.202
  173   HD22  ASN   3          1HD2      ASN   3   8.533   6.971  -0.927
  174    H    GLN   4           H        GLN   4   5.227   5.367  -5.395
  175    HA   GLN   4           HA       GLN   4   5.438   5.876  -8.285
  176    HB2  GLN   4           2HB      GLN   4   7.148   4.089  -7.562
  177    HB3  GLN   4           3HB      GLN   4   5.776   3.075  -7.126
  178    HG2  GLN   4           2HG      GLN   4   5.075   2.996  -9.484
  179    HG3  GLN   4           3HG      GLN   4   6.275   4.226  -9.912
  180   HE21  GLN   4          2HE2      GLN   4   6.124   0.950  -8.317
  181   HE22  GLN   4          1HE2      GLN   4   7.621   0.401  -9.056
  182    H    HIS   5           H        HIS   5   3.656   4.572  -9.410
  183    HA   HIS   5           HA       HIS   5   1.136   4.363  -7.956
  184    HB2  HIS   5           2HB      HIS   5   1.960   3.136 -10.617
  185    HB3  HIS   5           3HB      HIS   5   0.321   3.366 -10.012
  186    HD2  HIS   5           HD2      HIS   5   3.196   5.212 -11.724
  187    HE1  HIS   5           HE1      HIS   5  -0.042   7.965 -11.556
  188    HE2  HIS   5           HE2      HIS   5   2.286   7.551 -12.504
  189    H    LEU   6           H        LEU   6   0.299   2.527  -6.987
  190    HA   LEU   6           HA       LEU   6   1.897  -0.003  -6.933
  191    HB2  LEU   6           2HB      LEU   6   0.916   1.548  -4.503
  192    HB3  LEU   6           3HB      LEU   6   1.677  -0.036  -4.463
  193    HG   LEU   6           HG       LEU   6   3.085   2.487  -5.426
  194   HD11  LEU   6          1HD1      LEU   6   4.158   2.426  -3.173
  195   HD12  LEU   6          2HD1      LEU   6   2.424   2.764  -3.120
  196   HD13  LEU   6          3HD1      LEU   6   3.006   1.148  -2.712
  197   HD21  LEU   6          3HD2      LEU   6   4.237  -0.202  -4.576
  198   HD22  LEU   6          1HD2      LEU   6   4.108   0.366  -6.257
  199   HD23  LEU   6          2HD2      LEU   6   5.142   1.228  -5.115
  200    H    CYS   7           H        CYS   7   0.624  -1.770  -7.021
  201    HA   CYS   7           HA       CYS   7  -2.237  -1.652  -6.241
  202    HB2  CYS   7           2HB      CYS   7  -1.771  -0.676  -8.581
  203    HB3  CYS   7           3HB      CYS   7  -1.422  -2.318  -9.091
  204    H    GLY   8           H        GLY   8  -2.831  -3.555  -5.349
  205    HA2  GLY   8           HA2      GLY   8  -2.842  -5.791  -4.741
  206    HA3  GLY   8           HA3      GLY   8  -2.043  -6.155  -6.280
  207    H    SER   9           H        SER   9  -0.178  -7.158  -6.028
  208    HA   SER   9           HA       SER   9   1.203  -7.621  -3.618
  209    HB2  SER   9           2HB      SER   9   1.383  -8.957  -5.711
  210    HB3  SER   9           3HB      SER   9   2.357  -7.662  -6.432
  211    HG   SER   9           HG       SER   9   3.637  -9.356  -5.484
  212    H    HIS  10           H        HIS  10   2.176  -5.239  -6.179
  213    HA   HIS  10           HA       HIS  10   4.347  -4.021  -4.895
  214    HB2  HIS  10           2HB      HIS  10   2.185  -3.059  -6.791
  215    HB3  HIS  10           3HB      HIS  10   3.303  -1.896  -6.100
  216    HD2  HIS  10           HD2      HIS  10   4.881  -5.252  -6.932
  217    HE1  HIS  10           HE1      HIS  10   6.008  -2.546 -10.020
  218    HE2  HIS  10           HE2      HIS  10   6.418  -4.865  -9.034
  219    H    LEU  11           H        LEU  11   0.895  -3.362  -4.318
  220    HA   LEU  11           HA       LEU  11   1.365  -1.146  -2.494
  221    HB2  LEU  11           2HB      LEU  11  -0.760  -2.003  -3.989
  222    HB3  LEU  11           3HB      LEU  11  -1.209  -2.675  -2.438
  223    HG   LEU  11           HG       LEU  11  -0.680   0.247  -3.116
  224   HD11  LEU  11          1HD1      LEU  11  -3.088   0.511  -2.675
  225   HD12  LEU  11          2HD1      LEU  11  -2.819  -0.693  -3.944
  226   HD13  LEU  11          3HD1      LEU  11  -3.229  -1.213  -2.294
  227   HD21  LEU  11          3HD2      LEU  11   0.045  -0.067  -0.813
  228   HD22  LEU  11          1HD2      LEU  11  -1.498   0.778  -0.829
  229   HD23  LEU  11          2HD2      LEU  11  -1.451  -0.955  -0.429
  230    H    VAL  12           H        VAL  12   0.623  -4.625  -2.047
  231    HA   VAL  12           HA       VAL  12   0.675  -4.591   0.824
  232    HB   VAL  12           HB       VAL  12   1.340  -6.815  -1.175
  233   HG11  VAL  12          1HG1      VAL  12   1.041  -8.469   0.644
  234   HG12  VAL  12          2HG1      VAL  12   2.468  -7.470   0.891
  235   HG13  VAL  12          3HG1      VAL  12   0.996  -7.156   1.832
  236   HG21  VAL  12          3HG2      VAL  12  -1.150  -6.322   0.505
  237   HG22  VAL  12          1HG2      VAL  12  -0.996  -6.137  -1.254
  238   HG23  VAL  12          2HG2      VAL  12  -0.861  -7.735  -0.535
  239    H    GLU  13           H        GLU  13   3.300  -5.217  -1.510
  240    HA   GLU  13           HA       GLU  13   5.409  -5.697   0.339
  241    HB2  GLU  13           2HB      GLU  13   5.401  -4.491  -2.459
  242    HB3  GLU  13           3HB      GLU  13   6.870  -4.933  -1.597
  243    HG2  GLU  13           2HG      GLU  13   4.677  -6.976  -2.146
  244    HG3  GLU  13           3HG      GLU  13   5.903  -6.572  -3.332
  245    H    ALA  14           H        ALA  14   4.349  -2.626  -1.220
  246    HA   ALA  14           HA       ALA  14   6.265  -0.935   0.031
  247    HB1  ALA  14           3HB      ALA  14   4.730   0.848  -0.701
  248    HB2  ALA  14           1HB      ALA  14   4.926  -0.362  -1.975
  249    HB3  ALA  14           2HB      ALA  14   3.447  -0.351  -0.975
  250    H    LEU  15           H        LEU  15   2.862  -1.679   0.995
  251    HA   LEU  15           HA       LEU  15   2.843  -0.110   3.356
  252    HB2  LEU  15           2HB      LEU  15   1.370  -2.642   2.539
  253    HB3  LEU  15           3HB      LEU  15   1.123  -1.869   4.115
  254    HG   LEU  15           HG       LEU  15   0.615  -0.483   1.481
  255   HD11  LEU  15          1HD1      LEU  15  -1.753  -0.919   1.967
  256   HD12  LEU  15          2HD1      LEU  15  -0.854  -2.437   1.870
  257   HD13  LEU  15          3HD1      LEU  15  -1.317  -1.772   3.456
  258   HD21  LEU  15          3HD2      LEU  15   1.071   1.092   3.336
  259   HD22  LEU  15          1HD2      LEU  15  -0.636   1.116   2.901
  260   HD23  LEU  15          2HD2      LEU  15  -0.094   0.244   4.360
  261    H    TYR  16           H        TYR  16   3.889  -3.515   2.941
  262    HA   TYR  16           HA       TYR  16   4.637  -3.918   5.682
  263    HB2  TYR  16           2HB      TYR  16   4.396  -5.821   4.283
  264    HB3  TYR  16           3HB      TYR  16   5.478  -5.173   3.057
  265    HD1  TYR  16           HD2      TYR  16   5.453  -6.250   6.660
  266    HD2  TYR  16           HD1      TYR  16   7.770  -5.700   3.064
  267    HE1  TYR  16           HE2      TYR  16   7.435  -7.228   7.795
  268    HE2  TYR  16           HE1      TYR  16   9.764  -6.657   4.195
  269    HH   TYR  16           HH       TYR  16   9.658  -7.814   7.601
  270    H    LEU  17           H        LEU  17   6.586  -2.685   2.891
  271    HA   LEU  17           HA       LEU  17   9.016  -2.421   4.398
  272    HB2  LEU  17           2HB      LEU  17   7.990  -1.184   1.827
  273    HB3  LEU  17           3HB      LEU  17   9.587  -0.804   2.460
  274    HG   LEU  17           HG       LEU  17   8.696  -3.662   1.879
  275   HD11  LEU  17          1HD1      LEU  17   8.616  -2.332  -0.190
  276   HD12  LEU  17          2HD1      LEU  17  10.265  -1.734   0.115
  277   HD13  LEU  17          3HD1      LEU  17   9.982  -3.459  -0.219
  278   HD21  LEU  17          3HD2      LEU  17  11.135  -4.111   1.843
  279   HD22  LEU  17          1HD2      LEU  17  11.451  -2.429   2.315
  280   HD23  LEU  17          2HD2      LEU  17  10.607  -3.533   3.424
  281    H    VAL  18           H        VAL  18   6.378  -0.101   3.861
  282    HA   VAL  18           HA       VAL  18   7.610   2.079   5.326
  283    HB   VAL  18           HB       VAL  18   4.705   1.461   4.661
  284   HG11  VAL  18          1HG1      VAL  18   4.653   2.963   6.609
  285   HG12  VAL  18          2HG1      VAL  18   5.848   4.035   5.842
  286   HG13  VAL  18          3HG1      VAL  18   4.224   3.848   5.148
  287   HG21  VAL  18          3HG2      VAL  18   6.676   3.475   3.498
  288   HG22  VAL  18          1HG2      VAL  18   6.245   1.926   2.758
  289   HG23  VAL  18          2HG2      VAL  18   5.012   3.159   2.953
  290    H    CYS  19           H        CYS  19   5.080  -0.273   6.254
  291    HA   CYS  19           HA       CYS  19   4.875   0.644   8.969
  292    HB2  CYS  19           2HB      CYS  19   3.170  -0.519   7.462
  293    HB3  CYS  19           3HB      CYS  19   3.978  -2.028   7.848
  294    H    GLY  20           H        GLY  20   7.079  -1.630   7.563
  295    HA2  GLY  20           HA2      GLY  20   9.082  -2.395   8.475
  296    HA3  GLY  20           HA3      GLY  20   8.611  -1.723  10.049
  297    H    GLU  21           H        GLU  21   8.731  -3.320  11.484
  298    HA   GLU  21           HA       GLU  21   8.254  -6.120  10.856
  299    HB2  GLU  21           2HB      GLU  21   8.688  -4.705  13.524
  300    HB3  GLU  21           3HB      GLU  21   8.684  -6.457  13.280
  301    HG2  GLU  21           2HG      GLU  21  10.597  -6.230  11.693
  302    HG3  GLU  21           3HG      GLU  21  10.659  -4.500  12.040
  303    H    ARG  22           H        ARG  22   6.047  -3.685  11.315
  304    HA   ARG  22           HA       ARG  22   3.944  -5.416  12.538
  305    HB2  ARG  22           2HB      ARG  22   3.923  -2.434  11.958
  306    HB3  ARG  22           3HB      ARG  22   2.678  -3.337  12.814
  307    HG2  ARG  22           2HG      ARG  22   5.536  -2.836  13.787
  308    HG3  ARG  22           3HG      ARG  22   4.087  -1.993  14.302
  309    HD2  ARG  22           2HD      ARG  22   4.616  -3.519  16.009
  310    HD3  ARG  22           3HD      ARG  22   3.174  -4.151  15.193
  311    HE   ARG  22           HE       ARG  22   5.290  -5.412  13.928
  312   HH11  ARG  22          1HH2      ARG  22   4.251  -5.346  17.313
  313   HH12  ARG  22          2HH2      ARG  22   4.880  -6.941  17.607
  314   HH21  ARG  22          2HH1      ARG  22   6.025  -7.383  14.334
  315   HH22  ARG  22          1HH1      ARG  22   5.897  -8.100  15.925
  316    H    GLY  23           H        GLY  23   1.942  -5.618  11.556
  317    HA2  GLY  23           HA2      GLY  23   2.024  -5.866   8.615
  318    HA3  GLY  23           HA3      GLY  23   0.780  -6.487   9.715
  319    H    HIS  24           H        HIS  24  -0.298  -5.605   7.648
  320    HA   HIS  24           HA       HIS  24  -1.520  -2.981   8.323
  321    HB2  HIS  24           2HB      HIS  24  -1.475  -2.367   5.921
  322    HB3  HIS  24           3HB      HIS  24   0.114  -2.421   6.673
  323    HD2  HIS  24           HD2      HIS  24   1.920  -3.941   5.589
  324    HE1  HIS  24           HE1      HIS  24  -0.480  -5.690   2.551
  325    HE2  HIS  24           HE2      HIS  24   1.896  -5.417   3.417
  326    H    PHE  25           H        PHE  25  -3.659  -2.713   7.653
  327    HA   PHE  25           HA       PHE  25  -5.161  -5.204   7.654
  328    HB2  PHE  25           2HB      PHE  25  -7.098  -3.697   7.974
  329    HB3  PHE  25           3HB      PHE  25  -5.809  -3.469   9.134
  330    HD1  PHE  25           HD2      PHE  25  -7.107  -2.030   5.888
  331    HD2  PHE  25           HD1      PHE  25  -5.035  -1.294   9.606
  332    HE1  PHE  25           HE2      PHE  25  -7.103   0.399   5.410
  333    HE2  PHE  25           HE1      PHE  25  -5.096   1.141   9.148
  334    HZ   PHE  25           HZ       PHE  25  -6.168   1.997   7.076
  335    H    TYR  26           H        TYR  26  -4.026  -3.335   5.051
  336    HA   TYR  26           HA       TYR  26  -6.255  -3.376   3.278
  337    HB2  TYR  26           2HB      TYR  26  -4.474  -1.902   2.804
  338    HB3  TYR  26           3HB      TYR  26  -3.265  -3.168   2.966
  339    HD1  TYR  26           HD1      TYR  26  -6.330  -2.580   0.819
  340    HD2  TYR  26           HD2      TYR  26  -2.235  -3.905   1.029
  341    HE1  TYR  26           HE1      TYR  26  -6.381  -3.128  -1.602
  342    HE2  TYR  26           HE2      TYR  26  -2.246  -4.339  -1.401
  343    HH   TYR  26           HH       TYR  26  -5.174  -3.862  -3.425
  344    H    THR  27           H        THR  27  -3.872  -5.870   3.951
  345    HA   THR  27           HA       THR  27  -3.261  -7.354   1.978
  346    HB   THR  27           HB       THR  27  -3.774  -9.502   3.246
  347    HG1  THR  27           HG1      THR  27  -4.431  -9.158   5.384
  348   HG21  THR  27          1HG2      THR  27  -1.629  -8.273   3.372
  349   HG22  THR  27          2HG2      THR  27  -2.293  -7.226   4.645
  350   HG23  THR  27          3HG2      THR  27  -2.072  -8.963   4.939
  351    HA   PRO  28           HA       PRO  28  -7.091  -7.486  -0.270
  352    HB2  PRO  28           2HB      PRO  28  -6.182  -7.867  -2.810
  353    HB3  PRO  28           3HB      PRO  28  -5.958  -6.341  -1.903
  354    HG2  PRO  28           2HG      PRO  28  -3.985  -8.630  -2.203
  355    HG3  PRO  28           3HG      PRO  28  -3.692  -6.877  -2.461
  356    HD2  PRO  28           2HD      PRO  28  -3.084  -8.118  -0.116
  357    HD3  PRO  28           3HD      PRO  28  -3.722  -6.444  -0.139
  358    H    LYS  29           H        LYS  29  -8.453  -8.939  -1.471
  359    HA   LYS  29           HA       LYS  29  -8.036 -11.735  -0.762
  360    HB2  LYS  29           2HB      LYS  29 -10.152 -10.260  -0.440
  361    HB3  LYS  29           3HB      LYS  29 -10.440 -10.490  -2.152
  362    HG2  LYS  29           2HG      LYS  29 -11.784 -12.004  -0.791
  363    HG3  LYS  29           3HG      LYS  29 -10.699 -12.919  -1.817
  364    HD2  LYS  29           2HD      LYS  29 -10.889 -13.896   0.418
  365    HD3  LYS  29           3HD      LYS  29  -9.228 -13.409   0.089
  366    HE2  LYS  29           2HE      LYS  29  -9.569 -11.330   1.422
  367    HE3  LYS  29           3HE      LYS  29 -11.255 -11.785   1.703
  368    HZ1  LYS  29           HZ1      LYS  29 -10.459 -13.747   2.900
  369    HZ2  LYS  29           HZ2      LYS  29  -8.898 -13.330   2.639
  370    HZ3  LYS  29           HZ3      LYS  29  -9.850 -12.392   3.578
  371    H    THR  30           H        THR  30  -6.300 -10.788  -2.776
  372    HA   THR  30           HA       THR  30  -6.919 -11.534  -5.453
  373    HB   THR  30           HB       THR  30  -4.193 -11.567  -4.110
  374    HG1  THR  30           HG1      THR  30  -4.143  -9.400  -4.826
  375   HG21  THR  30          1HG2      THR  30  -5.041 -11.105  -7.011
  376   HG22  THR  30          2HG2      THR  30  -3.389 -10.921  -6.376
  377   HG23  THR  30          3HG2      THR  30  -4.151 -12.515  -6.393
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1 -11.215   4.083  -1.406
    2    H2   GLY   1           2H       GLY   1 -10.707   5.159  -0.271
    3    H3   GLY   1           3H       GLY   1 -11.908   4.095   0.074
    4    HA2  GLY   1           HA2      GLY   1  -9.953   3.313   1.146
    5    HA3  GLY   1           HA3      GLY   1 -10.371   2.230  -0.193
    6    H    ILE   2           H        ILE   2  -7.978   1.765   0.308
    7    HA   ILE   2           HA       ILE   2  -5.992   3.718  -0.482
    8    HB   ILE   2           HB       ILE   2  -5.658   2.044   1.276
    9   HG12  ILE   2          2HG1      ILE   2  -3.638   1.977  -1.002
   10   HG13  ILE   2          3HG1      ILE   2  -3.772   3.187   0.272
   11   HG21  ILE   2          1HG2      ILE   2  -5.280  -0.088  -0.864
   12   HG22  ILE   2          2HG2      ILE   2  -5.208  -0.276   0.892
   13   HG23  ILE   2          3HG2      ILE   2  -6.751   0.065   0.127
   14   HD11  ILE   2          3HD1      ILE   2  -2.910   0.292   0.515
   15   HD12  ILE   2          1HD1      ILE   2  -1.993   1.755   0.926
   16   HD13  ILE   2          2HD1      ILE   2  -3.363   1.252   1.936
   17    H    VAL   3           H        VAL   3  -7.156   0.788  -2.171
   18    HA   VAL   3           HA       VAL   3  -5.240   0.923  -4.268
   19    HB   VAL   3           HB       VAL   3  -8.019  -0.311  -4.458
   20   HG11  VAL   3          1HG1      VAL   3  -6.888  -0.227  -6.655
   21   HG12  VAL   3          2HG1      VAL   3  -5.426  -0.955  -5.943
   22   HG13  VAL   3          3HG1      VAL   3  -6.933  -1.886  -6.056
   23   HG21  VAL   3          3HG2      VAL   3  -6.891  -2.433  -3.750
   24   HG22  VAL   3          1HG2      VAL   3  -5.418  -1.503  -3.399
   25   HG23  VAL   3          2HG2      VAL   3  -6.910  -1.219  -2.473
   26    H    GLU   4           H        GLU   4  -8.360   2.495  -3.904
   27    HA   GLU   4           HA       GLU   4  -8.682   3.579  -6.541
   28    HB2  GLU   4           2HB      GLU   4  -9.704   4.521  -3.832
   29    HB3  GLU   4           3HB      GLU   4 -10.300   5.091  -5.393
   30    HG2  GLU   4           2HG      GLU   4 -11.114   2.858  -5.969
   31    HG3  GLU   4           3HG      GLU   4 -10.479   2.194  -4.459
   32    H    GLN   5           H        GLN   5  -6.247   4.281  -4.316
   33    HA   GLN   5           HA       GLN   5  -5.741   6.983  -5.528
   34    HB2  GLN   5           2HB      GLN   5  -5.224   5.995  -2.682
   35    HB3  GLN   5           3HB      GLN   5  -4.604   7.509  -3.349
   36    HG2  GLN   5           2HG      GLN   5  -6.862   8.380  -3.663
   37    HG3  GLN   5           3HG      GLN   5  -7.580   6.841  -3.181
   38   HE21  GLN   5          2HE2      GLN   5  -7.576   6.209  -0.933
   39   HE22  GLN   5          1HE2      GLN   5  -7.212   7.409   0.308
   40    H    CYS   6           H        CYS   6  -4.145   4.161  -3.889
   41    HA   CYS   6           HA       CYS   6  -1.532   4.841  -4.888
   42    HB2  CYS   6           2HB      CYS   6  -2.773   2.414  -3.575
   43    HB3  CYS   6           3HB      CYS   6  -1.127   2.363  -4.186
   44    H    CYS   7           H        CYS   7  -4.031   2.680  -6.257
   45    HA   CYS   7           HA       CYS   7  -2.094   1.754  -8.314
   46    HB2  CYS   7           2HB      CYS   7  -3.624   0.204  -7.125
   47    HB3  CYS   7           3HB      CYS   7  -4.997   1.008  -7.884
   48    H    THR   8           H        THR   8  -4.539   4.184  -7.997
   49    HA   THR   8           HA       THR   8  -4.933   4.579 -10.903
   50    HB   THR   8           HB       THR   8  -6.478   6.373 -10.136
   51    HG1  THR   8           HG1      THR   8  -6.859   6.321  -7.795
   52   HG21  THR   8          1HG2      THR   8  -8.184   4.941  -9.145
   53   HG22  THR   8          2HG2      THR   8  -7.315   4.027 -10.389
   54   HG23  THR   8          3HG2      THR   8  -6.972   3.734  -8.670
   55    H    SER   9           H        SER   9  -3.128   6.043  -8.236
   56    HA   SER   9           HA       SER   9  -1.675   7.777 -10.147
   57    HB2  SER   9           2HB      SER   9  -3.683   9.009  -9.190
   58    HB3  SER   9           3HB      SER   9  -2.904   8.881  -7.604
   59    HG   SER   9           HG       SER   9  -2.449  10.873  -8.782
   60    H    ILE  10           H        ILE  10  -0.175   9.199  -8.337
   61    HA   ILE  10           HA       ILE  10   1.758   7.200  -7.365
   62    HB   ILE  10           HB       ILE  10   1.696  10.224  -6.989
   63   HG12  ILE  10          2HG1      ILE  10   1.786   9.707  -9.391
   64   HG13  ILE  10          3HG1      ILE  10   3.262  10.451  -8.807
   65   HG21  ILE  10          1HG2      ILE  10   3.915   8.187  -6.512
   66   HG22  ILE  10          2HG2      ILE  10   4.180   9.944  -6.618
   67   HG23  ILE  10          3HG2      ILE  10   3.168   9.284  -5.340
   68   HD11  ILE  10          3HD1      ILE  10   3.730   8.645 -10.405
   69   HD12  ILE  10          1HD1      ILE  10   4.417   8.281  -8.813
   70   HD13  ILE  10          2HD1      ILE  10   2.917   7.473  -9.355
   71    H    CYS  11           H        CYS  11   2.095   6.508  -5.300
   72    HA   CYS  11           HA       CYS  11   1.174   8.204  -3.103
   73    HB2  CYS  11           2HB      CYS  11   0.023   6.622  -1.848
   74    HB3  CYS  11           3HB      CYS  11  -0.639   6.489  -3.466
   75    H    SER  12           H        SER  12   2.160   7.576  -0.992
   76    HA   SER  12           HA       SER  12   4.982   6.661  -1.314
   77    HB2  SER  12           2HB      SER  12   4.068   9.456  -0.544
   78    HB3  SER  12           3HB      SER  12   5.741   8.882  -0.496
   79    HG   SER  12           HG       SER  12   5.187  10.099  -2.414
   80    H    LEU  13           H        LEU  13   6.196   6.797   0.734
   81    HA   LEU  13           HA       LEU  13   5.140   5.249   2.691
   82    HB2  LEU  13           2HB      LEU  13   7.087   5.816   4.023
   83    HB3  LEU  13           3HB      LEU  13   7.473   5.597   2.327
   84    HG   LEU  13           HG       LEU  13   7.180   8.340   2.411
   85   HD11  LEU  13          1HD1      LEU  13   8.491   7.565   5.059
   86   HD12  LEU  13          2HD1      LEU  13   8.324   9.202   4.387
   87   HD13  LEU  13          3HD1      LEU  13   6.893   8.311   4.922
   88   HD21  LEU  13          3HD2      LEU  13   9.053   7.117   1.399
   89   HD22  LEU  13          1HD2      LEU  13   9.642   8.432   2.428
   90   HD23  LEU  13          2HD2      LEU  13   9.710   6.754   3.012
   91    H    TYR  14           H        TYR  14   5.108   8.813   2.955
   92    HA   TYR  14           HA       TYR  14   4.074   8.800   5.648
   93    HB2  TYR  14           2HB      TYR  14   3.643  11.253   5.090
   94    HB3  TYR  14           3HB      TYR  14   5.308  10.689   4.960
   95    HD1  TYR  14           HD1      TYR  14   2.291  11.651   3.006
   96    HD2  TYR  14           HD2      TYR  14   6.497  10.729   2.871
   97    HE1  TYR  14           HE1      TYR  14   2.342  12.284   0.605
   98    HE2  TYR  14           HE2      TYR  14   6.579  11.408   0.488
   99    HH   TYR  14           HH       TYR  14   3.664  12.584  -1.268
  100    H    GLN  15           H        GLN  15   2.504   8.499   2.568
  101    HA   GLN  15           HA       GLN  15  -0.225   8.969   3.705
  102    HB2  GLN  15           2HB      GLN  15   0.912   8.476   0.929
  103    HB3  GLN  15           3HB      GLN  15  -0.797   8.204   1.252
  104    HG2  GLN  15           2HG      GLN  15   0.637  10.845   1.683
  105    HG3  GLN  15           3HG      GLN  15  -0.353  10.434   0.290
  106   HE21  GLN  15          2HE2      GLN  15  -2.739  10.032   0.685
  107   HE22  GLN  15          1HE2      GLN  15  -3.469  10.811   2.079
  108    H    LEU  16           H        LEU  16   1.855   6.328   2.431
  109    HA   LEU  16           HA       LEU  16   0.027   4.198   2.824
  110    HB2  LEU  16           2HB      LEU  16   3.037   4.425   2.831
  111    HB3  LEU  16           3HB      LEU  16   2.246   2.872   3.012
  112    HG   LEU  16           HG       LEU  16   1.972   4.695   0.581
  113   HD11  LEU  16          1HD1      LEU  16   4.205   3.739   0.795
  114   HD12  LEU  16          2HD1      LEU  16   3.538   2.107   1.046
  115   HD13  LEU  16          3HD1      LEU  16   3.347   2.927  -0.521
  116   HD21  LEU  16          3HD2      LEU  16   0.931   1.885   1.110
  117   HD22  LEU  16          1HD2      LEU  16  -0.051   3.338   0.818
  118   HD23  LEU  16          2HD2      LEU  16   0.956   2.671  -0.473
  119    H    GLU  17           H        GLU  17   2.205   5.765   5.169
  120    HA   GLU  17           HA       GLU  17   2.036   3.909   7.233
  121    HB2  GLU  17           2HB      GLU  17   3.444   6.024   7.051
  122    HB3  GLU  17           3HB      GLU  17   2.054   6.904   7.699
  123    HG2  GLU  17           2HG      GLU  17   2.108   5.460   9.725
  124    HG3  GLU  17           3HG      GLU  17   3.417   4.509   9.025
  125    H    ASN  18           H        ASN  18  -0.477   6.107   6.189
  126    HA   ASN  18           HA       ASN  18  -2.105   6.046   8.557
  127    HB2  ASN  18           2HB      ASN  18  -2.835   6.475   5.628
  128    HB3  ASN  18           3HB      ASN  18  -3.922   6.735   6.968
  129   HD21  ASN  18          2HD2      ASN  18  -1.303   8.054   5.179
  130   HD22  ASN  18          1HD2      ASN  18  -1.137   9.561   6.086
  131    H    TYR  19           H        TYR  19  -1.484   3.541   6.252
  132    HA   TYR  19           HA       TYR  19  -3.910   2.038   7.109
  133    HB2  TYR  19           2HB      TYR  19  -2.072   1.301   4.843
  134    HB3  TYR  19           3HB      TYR  19  -3.701   0.727   5.147
  135    HD1  TYR  19           HD1      TYR  19  -5.670   2.391   4.839
  136    HD2  TYR  19           HD2      TYR  19  -1.657   3.216   3.558
  137    HE1  TYR  19           HE1      TYR  19  -6.514   4.230   3.394
  138    HE2  TYR  19           HE2      TYR  19  -2.462   5.077   2.131
  139    HH   TYR  19           HH       TYR  19  -5.965   5.906   1.927
  140    H    CYS  20           H        CYS  20  -0.881   2.423   8.266
  141    HA   CYS  20           HA       CYS  20  -0.018  -0.320   8.579
  142    HB2  CYS  20           2HB      CYS  20   0.750   2.263   9.963
  143    HB3  CYS  20           3HB      CYS  20   1.500   0.721  10.267
  144    H    ASN  21           H        ASN  21  -0.100  -1.626  10.423
  145    HA   ASN  21           HA       ASN  21  -2.498  -1.486  12.036
  146    HB2  ASN  21           2HB      ASN  21   0.023  -3.183  12.203
  147    HB3  ASN  21           3HB      ASN  21  -1.337  -3.380  13.300
  148   HD21  ASN  21          1HD2      ASN  21  -0.391  -5.461  11.653
  149   HD22  ASN  21          2HD2      ASN  21  -1.699  -5.865  10.544
  150    H1   PHE   1           H        PHE   1  11.704   2.565  -0.972
  151    HA   PHE   1           HA       PHE   1  11.750   1.527  -3.686
  152    HB2  PHE   1           2HB      PHE   1   9.369   1.170  -3.925
  153    HB3  PHE   1           3HB      PHE   1  10.057   0.097  -2.720
  154    HD1  PHE   1           HD2      PHE   1   9.637   0.466  -0.312
  155    HD2  PHE   1           HD1      PHE   1   7.752   2.883  -3.322
  156    HE1  PHE   1           HE2      PHE   1   7.984   1.267   1.379
  157    HE2  PHE   1           HE1      PHE   1   6.087   3.686  -1.645
  158    HZ   PHE   1           HZ       PHE   1   6.222   2.882   0.708
  159    H    VAL   2           H        VAL   2  10.749   2.921  -5.240
  160    HA   VAL   2           HA       VAL   2  10.818   5.803  -4.477
  161    HB   VAL   2           HB       VAL   2  10.894   4.512  -7.230
  162   HG11  VAL   2          1HG1      VAL   2  10.069   6.808  -7.417
  163   HG12  VAL   2          2HG1      VAL   2  11.379   7.402  -6.370
  164   HG13  VAL   2          3HG1      VAL   2  11.733   6.753  -7.986
  165   HG21  VAL   2          3HG2      VAL   2  13.308   5.149  -7.229
  166   HG22  VAL   2          1HG2      VAL   2  13.160   5.667  -5.536
  167   HG23  VAL   2          2HG2      VAL   2  12.949   3.959  -5.980
  168    H    ASN   3           H        ASN   3   9.130   7.203  -4.925
  169    HA   ASN   3           HA       ASN   3   6.431   6.349  -4.883
  170    HB2  ASN   3           2HB      ASN   3   5.901   8.673  -5.254
  171    HB3  ASN   3           3HB      ASN   3   7.186   8.509  -4.083
  172   HD21  ASN   3          2HD2      ASN   3   6.277  10.004  -7.083
  173   HD22  ASN   3          1HD2      ASN   3   7.844  10.713  -7.422
  174    H    GLN   4           H        GLN   4   5.062   5.630  -6.324
  175    HA   GLN   4           HA       GLN   4   5.026   6.161  -9.150
  176    HB2  GLN   4           2HB      GLN   4   5.745   4.056 -10.012
  177    HB3  GLN   4           3HB      GLN   4   7.046   4.707  -9.038
  178    HG2  GLN   4           2HG      GLN   4   6.157   3.205  -7.121
  179    HG3  GLN   4           3HG      GLN   4   5.165   2.422  -8.355
  180   HE21  GLN   4          2HE2      GLN   4   8.433   2.868  -7.123
  181   HE22  GLN   4          1HE2      GLN   4   9.186   1.672  -8.184
  182    H    HIS   5           H        HIS   5   3.550   4.168 -10.133
  183    HA   HIS   5           HA       HIS   5   1.082   4.132  -8.546
  184    HB2  HIS   5           2HB      HIS   5   1.751   2.802 -11.199
  185    HB3  HIS   5           3HB      HIS   5   0.150   2.988 -10.488
  186    HD2  HIS   5           HD2      HIS   5   2.895   4.975 -12.311
  187    HE1  HIS   5           HE1      HIS   5  -0.545   7.474 -12.208
  188    HE2  HIS   5           HE2      HIS   5   1.810   7.218 -13.143
  189    H    LEU   6           H        LEU   6   0.596   2.628  -7.096
  190    HA   LEU   6           HA       LEU   6   2.071   0.015  -6.969
  191    HB2  LEU   6           2HB      LEU   6   1.319   2.117  -4.962
  192    HB3  LEU   6           3HB      LEU   6   1.089   0.455  -4.460
  193    HG   LEU   6           HG       LEU   6   3.369  -0.112  -4.680
  194   HD11  LEU   6          1HD1      LEU   6   4.099   1.087  -6.668
  195   HD12  LEU   6          2HD1      LEU   6   3.879   2.653  -5.844
  196   HD13  LEU   6          3HD1      LEU   6   5.133   1.512  -5.305
  197   HD21  LEU   6          3HD2      LEU   6   2.670   1.039  -2.647
  198   HD22  LEU   6          1HD2      LEU   6   4.344   1.487  -3.052
  199   HD23  LEU   6          2HD2      LEU   6   3.023   2.622  -3.378
  200    H    CYS   7           H        CYS   7   0.874  -1.647  -7.479
  201    HA   CYS   7           HA       CYS   7  -2.024  -1.770  -6.705
  202    HB2  CYS   7           2HB      CYS   7  -0.728  -2.850  -9.230
  203    HB3  CYS   7           3HB      CYS   7  -2.432  -2.964  -8.816
  204    H    GLY   8           H        GLY   8  -2.661  -3.702  -5.785
  205    HA2  GLY   8           HA2      GLY   8  -2.568  -5.840  -4.880
  206    HA3  GLY   8           HA3      GLY   8  -1.690  -6.230  -6.355
  207    H    SER   9           H        SER   9   0.148  -7.219  -6.030
  208    HA   SER   9           HA       SER   9   1.435  -7.684  -3.563
  209    HB2  SER   9           2HB      SER   9   1.685  -9.026  -5.647
  210    HB3  SER   9           3HB      SER   9   2.689  -7.735  -6.332
  211    HG   SER   9           HG       SER   9   3.931  -9.428  -5.333
  212    H    HIS  10           H        HIS  10   2.459  -5.275  -6.092
  213    HA   HIS  10           HA       HIS  10   4.653  -4.190  -4.750
  214    HB2  HIS  10           2HB      HIS  10   3.417  -3.685  -7.113
  215    HB3  HIS  10           3HB      HIS  10   2.812  -2.301  -6.191
  216    HD2  HIS  10           HD2      HIS  10   5.542  -1.617  -4.562
  217    HE1  HIS  10           HE1      HIS  10   7.216  -1.070  -8.432
  218    HE2  HIS  10           HE2      HIS  10   7.506  -0.570  -5.950
  219    H    LEU  11           H        LEU  11   1.209  -3.355  -4.342
  220    HA   LEU  11           HA       LEU  11   1.675  -1.185  -2.483
  221    HB2  LEU  11           2HB      LEU  11  -0.301  -1.376  -3.962
  222    HB3  LEU  11           3HB      LEU  11  -0.831  -2.811  -3.101
  223    HG   LEU  11           HG       LEU  11  -1.269  -1.529  -1.081
  224   HD11  LEU  11          1HD1      LEU  11   0.501   0.151  -1.099
  225   HD12  LEU  11          2HD1      LEU  11  -0.143   0.869  -2.592
  226   HD13  LEU  11          3HD1      LEU  11  -1.058   0.968  -1.083
  227   HD21  LEU  11          3HD2      LEU  11  -2.357  -0.087  -3.545
  228   HD22  LEU  11          1HD2      LEU  11  -2.981  -1.615  -2.898
  229   HD23  LEU  11          2HD2      LEU  11  -3.102  -0.136  -1.935
  230    H    VAL  12           H        VAL  12   0.860  -4.643  -2.045
  231    HA   VAL  12           HA       VAL  12   0.785  -4.560   0.836
  232    HB   VAL  12           HB       VAL  12   1.373  -6.816  -1.135
  233   HG11  VAL  12          1HG1      VAL  12   1.008  -7.112   1.876
  234   HG12  VAL  12          2HG1      VAL  12   0.968  -8.440   0.702
  235   HG13  VAL  12          3HG1      VAL  12   2.455  -7.527   0.933
  236   HG21  VAL  12          3HG2      VAL  12  -0.878  -7.592  -0.566
  237   HG22  VAL  12          1HG2      VAL  12  -1.079  -6.237   0.570
  238   HG23  VAL  12          2HG2      VAL  12  -0.939  -5.938  -1.171
  239    H    GLU  13           H        GLU  13   3.458  -5.256  -1.415
  240    HA   GLU  13           HA       GLU  13   5.500  -5.749   0.522
  241    HB2  GLU  13           2HB      GLU  13   5.631  -4.639  -2.311
  242    HB3  GLU  13           3HB      GLU  13   7.043  -5.127  -1.380
  243    HG2  GLU  13           2HG      GLU  13   4.786  -7.092  -1.941
  244    HG3  GLU  13           3HG      GLU  13   6.036  -6.756  -3.123
  245    H    ALA  14           H        ALA  14   4.555  -2.703  -1.180
  246    HA   ALA  14           HA       ALA  14   6.472  -0.992   0.048
  247    HB1  ALA  14           3HB      ALA  14   4.885   0.778  -0.692
  248    HB2  ALA  14           1HB      ALA  14   5.179  -0.425  -1.966
  249    HB3  ALA  14           2HB      ALA  14   3.664  -0.462  -1.027
  250    H    LEU  15           H        LEU  15   3.046  -1.690   0.976
  251    HA   LEU  15           HA       LEU  15   3.037  -0.145   3.348
  252    HB2  LEU  15           2HB      LEU  15   1.513  -2.623   2.490
  253    HB3  LEU  15           3HB      LEU  15   1.325  -1.912   4.107
  254    HG   LEU  15           HG       LEU  15   0.872  -0.314   1.612
  255   HD11  LEU  15          1HD1      LEU  15  -1.531  -0.759   1.962
  256   HD12  LEU  15          2HD1      LEU  15  -0.628  -2.249   1.654
  257   HD13  LEU  15          3HD1      LEU  15  -1.142  -1.839   3.309
  258   HD21  LEU  15          3HD2      LEU  15  -0.044   0.073   4.507
  259   HD22  LEU  15          1HD2      LEU  15   1.253   0.987   3.728
  260   HD23  LEU  15          2HD2      LEU  15  -0.405   1.154   3.140
  261    H    TYR  16           H        TYR  16   4.000  -3.629   2.982
  262    HA   TYR  16           HA       TYR  16   4.741  -3.952   5.711
  263    HB2  TYR  16           2HB      TYR  16   4.549  -5.889   4.350
  264    HB3  TYR  16           3HB      TYR  16   5.688  -5.272   3.155
  265    HD1  TYR  16           HD2      TYR  16   5.489  -6.205   6.794
  266    HD2  TYR  16           HD1      TYR  16   7.981  -5.777   3.301
  267    HE1  TYR  16           HE2      TYR  16   7.445  -7.009   8.102
  268    HE2  TYR  16           HE1      TYR  16   9.944  -6.575   4.597
  269    HH   TYR  16           HH       TYR  16  10.717  -7.321   6.643
  270    H    LEU  17           H        LEU  17   6.712  -2.622   2.994
  271    HA   LEU  17           HA       LEU  17   9.110  -2.370   4.598
  272    HB2  LEU  17           2HB      LEU  17   8.204  -1.141   1.979
  273    HB3  LEU  17           3HB      LEU  17   9.788  -0.817   2.681
  274    HG   LEU  17           HG       LEU  17   8.815  -3.628   2.011
  275   HD11  LEU  17          1HD1      LEU  17  10.226  -3.450   0.005
  276   HD12  LEU  17          2HD1      LEU  17   8.942  -2.230  -0.021
  277   HD13  LEU  17          3HD1      LEU  17  10.604  -1.758   0.404
  278   HD21  LEU  17          3HD2      LEU  17  11.585  -2.536   2.669
  279   HD22  LEU  17          1HD2      LEU  17  10.617  -3.636   3.678
  280   HD23  LEU  17          2HD2      LEU  17  11.233  -4.188   2.120
  281    H    VAL  18           H        VAL  18   6.410  -0.152   4.027
  282    HA   VAL  18           HA       VAL  18   7.546   2.098   5.495
  283    HB   VAL  18           HB       VAL  18   4.670   1.320   4.862
  284   HG11  VAL  18          1HG1      VAL  18   5.716   3.987   5.939
  285   HG12  VAL  18          2HG1      VAL  18   4.088   3.707   5.291
  286   HG13  VAL  18          3HG1      VAL  18   4.593   2.885   6.768
  287   HG21  VAL  18          3HG2      VAL  18   6.494   3.459   3.638
  288   HG22  VAL  18          1HG2      VAL  18   6.201   1.891   2.903
  289   HG23  VAL  18          2HG2      VAL  18   4.861   3.015   3.094
  290    H    CYS  19           H        CYS  19   5.067  -0.318   6.332
  291    HA   CYS  19           HA       CYS  19   4.642   0.552   9.008
  292    HB2  CYS  19           2HB      CYS  19   3.960  -1.947   7.434
  293    HB3  CYS  19           3HB      CYS  19   3.250  -1.576   9.000
  294    H    GLY  20           H        GLY  20   6.778  -1.960   7.722
  295    HA2  GLY  20           HA2      GLY  20   8.479  -3.152   8.784
  296    HA3  GLY  20           HA3      GLY  20   8.016  -2.430  10.343
  297    H    GLU  21           H        GLU  21   8.384  -4.604  11.132
  298    HA   GLU  21           HA       GLU  21   6.836  -6.868  10.457
  299    HB2  GLU  21           2HB      GLU  21   7.623  -7.825  12.528
  300    HB3  GLU  21           3HB      GLU  21   8.923  -6.944  11.729
  301    HG2  GLU  21           2HG      GLU  21   8.560  -5.021  13.292
  302    HG3  GLU  21           3HG      GLU  21   7.281  -5.931  14.097
  303    H    ARG  22           H        ARG  22   5.704  -4.057  11.998
  304    HA   ARG  22           HA       ARG  22   3.540  -5.059  13.615
  305    HB2  ARG  22           2HB      ARG  22   3.831  -2.478  12.022
  306    HB3  ARG  22           3HB      ARG  22   2.553  -2.802  13.196
  307    HG2  ARG  22           2HG      ARG  22   4.198  -3.040  15.004
  308    HG3  ARG  22           3HG      ARG  22   5.532  -2.747  13.878
  309    HD2  ARG  22           2HD      ARG  22   3.278  -0.774  14.434
  310    HD3  ARG  22           3HD      ARG  22   4.866  -0.753  15.223
  311    HE   ARG  22           HE       ARG  22   5.264  -0.775  12.400
  312   HH11  ARG  22          1HH1      ARG  22   4.065   1.506  14.831
  313   HH12  ARG  22          2HH1      ARG  22   4.579   2.885  13.901
  314   HH21  ARG  22          1HH2      ARG  22   5.919   0.976  11.309
  315   HH22  ARG  22          2HH2      ARG  22   5.622   2.592  11.904
  316    H    GLY  23           H        GLY  23   3.925  -4.512  10.138
  317    HA2  GLY  23           HA2      GLY  23   2.670  -5.210   8.320
  318    HA3  GLY  23           HA3      GLY  23   1.585  -6.072   9.426
  319    H    HIS  24           H        HIS  24  -0.000  -5.392   7.922
  320    HA   HIS  24           HA       HIS  24  -1.331  -2.833   8.523
  321    HB2  HIS  24           2HB      HIS  24  -1.427  -2.277   6.084
  322    HB3  HIS  24           3HB      HIS  24   0.187  -2.172   6.774
  323    HD2  HIS  24           HD2      HIS  24   2.047  -3.774   5.839
  324    HE1  HIS  24           HE1      HIS  24  -0.251  -5.537   2.731
  325    HE2  HIS  24           HE2      HIS  24   2.096  -5.281   3.677
  326    H    PHE  25           H        PHE  25  -3.498  -2.718   7.585
  327    HA   PHE  25           HA       PHE  25  -4.807  -5.344   7.730
  328    HB2  PHE  25           2HB      PHE  25  -6.877  -3.968   7.870
  329    HB3  PHE  25           3HB      PHE  25  -5.691  -3.681   9.122
  330    HD1  PHE  25           HD1      PHE  25  -6.818  -2.282   5.798
  331    HD2  PHE  25           HD2      PHE  25  -5.056  -1.482   9.661
  332    HE1  PHE  25           HE1      PHE  25  -6.916   0.150   5.343
  333    HE2  PHE  25           HE2      PHE  25  -5.220   0.951   9.222
  334    HZ   PHE  25           HZ       PHE  25  -6.199   1.775   7.089
  335    H    TYR  26           H        TYR  26  -3.751  -3.417   5.093
  336    HA   TYR  26           HA       TYR  26  -5.795  -4.407   3.214
  337    HB2  TYR  26           2HB      TYR  26  -4.895  -2.234   2.777
  338    HB3  TYR  26           3HB      TYR  26  -3.244  -2.835   2.849
  339    HD1  TYR  26           HD2      TYR  26  -6.452  -3.329   0.907
  340    HD2  TYR  26           HD1      TYR  26  -2.151  -3.523   0.883
  341    HE1  TYR  26           HE2      TYR  26  -6.479  -3.889  -1.524
  342    HE2  TYR  26           HE1      TYR  26  -2.158  -4.005  -1.526
  343    HH   TYR  26           HH       TYR  26  -3.455  -4.378  -3.395
  344    H    THR  27           H        THR  27  -5.628  -6.645   3.720
  345    HA   THR  27           HA       THR  27  -3.341  -8.052   2.384
  346    HB   THR  27           HB       THR  27  -4.107 -10.026   3.750
  347    HG1  THR  27           HG1      THR  27  -5.254  -9.511   5.627
  348   HG21  THR  27          1HG2      THR  27  -3.011  -7.562   5.213
  349   HG22  THR  27          2HG2      THR  27  -2.829  -9.253   5.723
  350   HG23  THR  27          3HG2      THR  27  -2.058  -8.690   4.233
  351    HA   PRO  28           HA       PRO  28  -6.973  -8.211  -0.376
  352    HB2  PRO  28           2HB      PRO  28  -5.667  -8.308  -2.790
  353    HB3  PRO  28           3HB      PRO  28  -5.911  -6.808  -1.845
  354    HG2  PRO  28           2HG      PRO  28  -3.466  -8.609  -1.884
  355    HG3  PRO  28           3HG      PRO  28  -3.527  -6.829  -2.077
  356    HD2  PRO  28           2HD      PRO  28  -2.981  -7.968   0.312
  357    HD3  PRO  28           3HD      PRO  28  -4.011  -6.506   0.217
  358    H    LYS  29           H        LYS  29  -7.133 -11.691  -1.453
  359    HA   LYS  29           HA       LYS  29  -8.677  -9.445  -0.459
  360    HB2  LYS  29           2HB      LYS  29  -9.758  -8.974  -2.711
  361    HB3  LYS  29           3HB      LYS  29  -8.141  -8.376  -2.500
  362    HG2  LYS  29           2HG      LYS  29  -8.406  -9.227  -4.724
  363    HG3  LYS  29           3HG      LYS  29  -7.210 -10.195  -3.872
  364    HD2  LYS  29           2HD      LYS  29  -8.855 -12.010  -3.567
  365    HD3  LYS  29           3HD      LYS  29 -10.122 -11.003  -4.311
  366    HE2  LYS  29           2HE      LYS  29  -8.791 -10.917  -6.413
  367    HE3  LYS  29           3HE      LYS  29  -7.542 -11.922  -5.668
  368    HZ1  LYS  29           HZ1      LYS  29  -9.060 -13.243  -7.018
  369    HZ2  LYS  29           HZ2      LYS  29  -9.193 -13.699  -5.457
  370    HZ3  LYS  29           HZ3      LYS  29 -10.351 -12.765  -6.141
  371    H    THR  30           H        THR  30  -8.449 -12.242   0.048
  372    HA   THR  30           HA       THR  30 -10.787 -13.685  -0.908
  373    HB   THR  30           HB       THR  30 -10.189 -15.265   0.987
  374    HG1  THR  30           HG1      THR  30  -9.073 -13.659   2.223
  375   HG21  THR  30          1HG2      THR  30  -7.979 -14.578  -1.003
  376   HG22  THR  30          2HG2      THR  30  -8.183 -16.117  -0.138
  377   HG23  THR  30          3HG2      THR  30  -9.392 -15.608  -1.327
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -11.099   5.257   0.362
    2    H2   GLY   1           2H       GLY   1 -10.553   5.248   1.907
    3    H3   GLY   1           3H       GLY   1 -12.049   4.679   1.566
    4    HA2  GLY   1           HA2      GLY   1 -10.541   2.848   1.971
    5    HA3  GLY   1           HA3      GLY   1 -11.168   2.841   0.313
    6    H    ILE   2           H        ILE   2  -8.808   1.551   1.147
    7    HA   ILE   2           HA       ILE   2  -6.405   3.026   0.536
    8    HB   ILE   2           HB       ILE   2  -6.214   1.201   1.997
    9   HG12  ILE   2          2HG1      ILE   2  -4.581  -0.344   1.011
   10   HG13  ILE   2          3HG1      ILE   2  -5.028   0.165  -0.612
   11   HG21  ILE   2          1HG2      ILE   2  -6.763  -1.108   1.602
   12   HG22  ILE   2          2HG2      ILE   2  -8.209  -0.153   1.368
   13   HG23  ILE   2          3HG2      ILE   2  -7.315  -0.778  -0.039
   14   HD11  ILE   2          3HD1      ILE   2  -4.202   2.480  -0.062
   15   HD12  ILE   2          1HD1      ILE   2  -3.754   1.877   1.550
   16   HD13  ILE   2          2HD1      ILE   2  -2.954   1.238   0.116
   17    H    VAL   3           H        VAL   3  -7.831   0.384  -1.413
   18    HA   VAL   3           HA       VAL   3  -6.053   0.833  -3.562
   19    HB   VAL   3           HB       VAL   3  -7.305  -1.271  -2.952
   20   HG11  VAL   3          1HG1      VAL   3  -9.534  -0.152  -4.698
   21   HG12  VAL   3          2HG1      VAL   3  -9.443  -1.768  -3.979
   22   HG13  VAL   3          3HG1      VAL   3  -9.613  -0.349  -2.934
   23   HG21  VAL   3          3HG2      VAL   3  -7.286  -0.577  -5.913
   24   HG22  VAL   3          1HG2      VAL   3  -5.890  -1.124  -4.952
   25   HG23  VAL   3          2HG2      VAL   3  -7.274  -2.199  -5.195
   26    H    GLU   4           H        GLU   4  -8.960   2.497  -2.816
   27    HA   GLU   4           HA       GLU   4  -9.661   3.484  -5.428
   28    HB2  GLU   4           2HB      GLU   4 -11.084   3.347  -3.290
   29    HB3  GLU   4           3HB      GLU   4 -10.201   4.757  -2.718
   30    HG2  GLU   4           2HG      GLU   4 -12.317   5.454  -3.620
   31    HG3  GLU   4           3HG      GLU   4 -11.058   6.057  -4.682
   32    H    GLN   5           H        GLN   5  -7.112   4.387  -3.166
   33    HA   GLN   5           HA       GLN   5  -6.523   6.821  -4.826
   34    HB2  GLN   5           2HB      GLN   5  -6.066   8.119  -2.905
   35    HB3  GLN   5           3HB      GLN   5  -7.651   7.391  -2.670
   36    HG2  GLN   5           2HG      GLN   5  -6.487   5.610  -1.234
   37    HG3  GLN   5           3HG      GLN   5  -5.026   6.593  -1.336
   38   HE21  GLN   5          2HE2      GLN   5  -8.131   6.222   0.187
   39   HE22  GLN   5          1HE2      GLN   5  -8.038   7.679   1.188
   40    H    CYS   6           H        CYS   6  -5.078   4.085  -3.046
   41    HA   CYS   6           HA       CYS   6  -2.421   5.002  -4.054
   42    HB2  CYS   6           2HB      CYS   6  -3.092   2.699  -2.227
   43    HB3  CYS   6           3HB      CYS   6  -1.492   3.229  -2.728
   44    H    CYS   7           H        CYS   7  -4.718   3.715  -5.748
   45    HA   CYS   7           HA       CYS   7  -2.793   2.236  -7.358
   46    HB2  CYS   7           2HB      CYS   7  -3.451   0.443  -5.970
   47    HB3  CYS   7           3HB      CYS   7  -5.154   0.854  -6.112
   48    H    THR   8           H        THR   8  -4.811   3.407 -10.110
   49    HA   THR   8           HA       THR   8  -2.082   2.732  -9.233
   50    HB   THR   8           HB       THR   8  -1.521   3.970 -11.380
   51    HG1  THR   8           HG1      THR   8  -3.510   5.106 -11.525
   52   HG21  THR   8          1HG2      THR   8  -3.368   1.551 -11.579
   53   HG22  THR   8          2HG2      THR   8  -2.256   2.126 -12.839
   54   HG23  THR   8          3HG2      THR   8  -1.608   1.523 -11.308
   55    H    SER   9           H        SER   9  -0.834   4.055  -8.075
   56    HA   SER   9           HA       SER   9  -0.630   6.879  -8.505
   57    HB2  SER   9           2HB      SER   9  -2.681   7.007  -7.192
   58    HB3  SER   9           3HB      SER   9  -1.973   6.026  -5.915
   59    HG   SER   9           HG       SER   9  -1.936   8.335  -5.543
   60    H    ILE  10           H        ILE  10   0.992   7.808  -6.874
   61    HA   ILE  10           HA       ILE  10   3.145   5.858  -6.251
   62    HB   ILE  10           HB       ILE  10   3.038   8.781  -5.421
   63   HG12  ILE  10          2HG1      ILE  10   2.734   8.874  -7.829
   64   HG13  ILE  10          3HG1      ILE  10   4.322   9.443  -7.362
   65   HG21  ILE  10          1HG2      ILE  10   4.748   7.466  -4.303
   66   HG22  ILE  10          2HG2      ILE  10   5.332   6.815  -5.841
   67   HG23  ILE  10          3HG2      ILE  10   5.525   8.543  -5.465
   68   HD11  ILE  10          3HD1      ILE  10   5.333   7.299  -8.091
   69   HD12  ILE  10          1HD1      ILE  10   3.714   6.716  -8.552
   70   HD13  ILE  10          2HD1      ILE  10   4.440   8.092  -9.398
   71    H    CYS  11           H        CYS  11   0.711   7.807  -4.630
   72    HA   CYS  11           HA       CYS  11   0.097   8.294  -2.543
   73    HB2  CYS  11           2HB      CYS  11   0.410   5.366  -2.472
   74    HB3  CYS  11           3HB      CYS  11   0.504   6.140  -0.888
   75    H    SER  12           H        SER  12   3.099   6.465  -2.093
   76    HA   SER  12           HA       SER  12   5.074   6.930  -1.063
   77    HB2  SER  12           2HB      SER  12   4.108   9.743  -0.509
   78    HB3  SER  12           3HB      SER  12   5.753   9.148  -0.374
   79    HG   SER  12           HG       SER  12   5.319  10.263  -2.380
   80    H    LEU  13           H        LEU  13   6.093   7.484   1.059
   81    HA   LEU  13           HA       LEU  13   5.123   5.837   2.984
   82    HB2  LEU  13           2HB      LEU  13   6.839   6.773   4.442
   83    HB3  LEU  13           3HB      LEU  13   7.395   6.553   2.794
   84    HG   LEU  13           HG       LEU  13   6.663   9.205   2.692
   85   HD11  LEU  13          1HD1      LEU  13   7.848   8.803   5.475
   86   HD12  LEU  13          2HD1      LEU  13   7.457  10.347   4.684
   87   HD13  LEU  13          3HD1      LEU  13   6.162   9.247   5.173
   88   HD21  LEU  13          3HD2      LEU  13   9.350   8.092   3.593
   89   HD22  LEU  13          1HD2      LEU  13   8.791   8.263   1.913
   90   HD23  LEU  13          2HD2      LEU  13   9.064   9.706   2.903
   91    H    TYR  14           H        TYR  14   4.517   9.359   3.064
   92    HA   TYR  14           HA       TYR  14   3.286   9.299   5.669
   93    HB2  TYR  14           2HB      TYR  14   2.534  11.630   4.937
   94    HB3  TYR  14           3HB      TYR  14   4.271  11.319   4.919
   95    HD1  TYR  14           HD2      TYR  14   1.257  11.593   2.717
   96    HD2  TYR  14           HD1      TYR  14   5.563  11.490   2.938
   97    HE1  TYR  14           HE2      TYR  14   1.384  12.086   0.292
   98    HE2  TYR  14           HE1      TYR  14   5.708  12.048   0.532
   99    HH   TYR  14           HH       TYR  14   2.774  12.542  -1.500
  100    H    GLN  15           H        GLN  15   2.016   8.601   2.516
  101    HA   GLN  15           HA       GLN  15  -0.827   8.699   3.424
  102    HB2  GLN  15           2HB      GLN  15   0.631   8.203   0.829
  103    HB3  GLN  15           3HB      GLN  15  -0.966   7.523   1.017
  104    HG2  GLN  15           2HG      GLN  15  -0.487  10.474   1.526
  105    HG3  GLN  15           3HG      GLN  15  -0.779   9.836  -0.091
  106   HE21  GLN  15          2HE2      GLN  15  -2.864   8.812  -0.572
  107   HE22  GLN  15          1HE2      GLN  15  -4.252   9.119   0.455
  108    H    LEU  16           H        LEU  16   1.679   6.334   2.381
  109    HA   LEU  16           HA       LEU  16   0.102   4.011   2.760
  110    HB2  LEU  16           2HB      LEU  16   3.060   4.598   2.679
  111    HB3  LEU  16           3HB      LEU  16   2.473   2.941   2.793
  112    HG   LEU  16           HG       LEU  16   1.825   4.875   0.519
  113   HD11  LEU  16          1HD1      LEU  16   3.350   3.430  -0.823
  114   HD12  LEU  16          2HD1      LEU  16   4.196   4.247   0.501
  115   HD13  LEU  16          3HD1      LEU  16   3.773   2.522   0.644
  116   HD21  LEU  16          3HD2      LEU  16   0.090   3.040   0.917
  117   HD22  LEU  16          1HD2      LEU  16   0.914   2.970  -0.655
  118   HD23  LEU  16          2HD2      LEU  16   1.406   1.879   0.649
  119    H    GLU  17           H        GLU  17   2.083   5.789   5.096
  120    HA   GLU  17           HA       GLU  17   2.048   3.885   7.179
  121    HB2  GLU  17           2HB      GLU  17   3.412   5.960   7.038
  122    HB3  GLU  17           3HB      GLU  17   1.980   6.925   7.412
  123    HG2  GLU  17           2HG      GLU  17   1.797   5.874   9.600
  124    HG3  GLU  17           3HG      GLU  17   3.057   4.701   9.199
  125    H    ASN  18           H        ASN  18  -0.531   6.026   6.064
  126    HA   ASN  18           HA       ASN  18  -2.161   5.959   8.422
  127    HB2  ASN  18           2HB      ASN  18  -3.004   6.237   5.507
  128    HB3  ASN  18           3HB      ASN  18  -4.025   6.564   6.887
  129   HD21  ASN  18          2HD2      ASN  18  -3.063   8.396   4.696
  130   HD22  ASN  18          1HD2      ASN  18  -2.328   9.735   5.559
  131    H    TYR  19           H        TYR  19  -1.521   3.448   6.120
  132    HA   TYR  19           HA       TYR  19  -3.880   1.868   7.022
  133    HB2  TYR  19           2HB      TYR  19  -1.994   1.237   4.755
  134    HB3  TYR  19           3HB      TYR  19  -3.595   0.564   5.046
  135    HD1  TYR  19           HD2      TYR  19  -5.644   2.092   4.632
  136    HD2  TYR  19           HD1      TYR  19  -1.632   3.245   3.630
  137    HE1  TYR  19           HE2      TYR  19  -6.527   3.906   3.170
  138    HE2  TYR  19           HE1      TYR  19  -2.480   5.033   2.146
  139    HH   TYR  19           HH       TYR  19  -4.347   6.078   1.320
  140    H    CYS  20           H        CYS  20  -0.874   2.375   8.128
  141    HA   CYS  20           HA       CYS  20   0.190  -0.297   8.493
  142    HB2  CYS  20           2HB      CYS  20   1.538   1.759   8.457
  143    HB3  CYS  20           3HB      CYS  20   0.750   2.306   9.932
  144    H    ASN  21           H        ASN  21  -0.195  -1.757  10.172
  145    HA   ASN  21           HA       ASN  21  -2.583  -1.463  11.748
  146    HB2  ASN  21           2HB      ASN  21  -0.317  -3.495  11.864
  147    HB3  ASN  21           3HB      ASN  21  -1.759  -3.589  12.862
  148   HD21  ASN  21          1HD2      ASN  21  -0.940  -5.607  10.976
  149   HD22  ASN  21          2HD2      ASN  21  -2.265  -5.732   9.828
  150    H1   PHE   1           H        PHE   1  11.453   1.088  -1.656
  151    HA   PHE   1           HA       PHE   1  10.749  -0.798  -3.743
  152    HB2  PHE   1           2HB      PHE   1   8.375  -0.188  -3.887
  153    HB3  PHE   1           3HB      PHE   1   8.787  -1.069  -2.436
  154    HD1  PHE   1           HD1      PHE   1   9.113   0.214  -0.270
  155    HD2  PHE   1           HD2      PHE   1   7.268   1.941  -3.744
  156    HE1  PHE   1           HE1      PHE   1   7.959   1.868   1.184
  157    HE2  PHE   1           HE2      PHE   1   6.106   3.611  -2.298
  158    HZ   PHE   1           HZ       PHE   1   6.412   3.531   0.173
  159    H    VAL   2           H        VAL   2  10.182   0.174  -5.739
  160    HA   VAL   2           HA       VAL   2  11.597   2.625  -6.334
  161    HB   VAL   2           HB       VAL   2   9.696   1.014  -8.099
  162   HG11  VAL   2          1HG1      VAL   2  11.787   3.116  -8.842
  163   HG12  VAL   2          2HG1      VAL   2  10.924   2.077  -9.997
  164   HG13  VAL   2          3HG1      VAL   2  10.030   3.261  -9.050
  165   HG21  VAL   2          3HG2      VAL   2  11.781   0.055  -9.069
  166   HG22  VAL   2          1HG2      VAL   2  12.739   0.910  -7.841
  167   HG23  VAL   2          2HG2      VAL   2  11.603  -0.372  -7.368
  168    H    ASN   3           H        ASN   3  10.835   4.663  -6.739
  169    HA   ASN   3           HA       ASN   3   8.210   5.483  -5.825
  170    HB2  ASN   3           2HB      ASN   3   9.007   7.755  -6.422
  171    HB3  ASN   3           3HB      ASN   3  10.074   6.875  -5.351
  172   HD21  ASN   3          2HD2      ASN   3   9.653   7.843  -8.790
  173   HD22  ASN   3          1HD2      ASN   3  11.375   7.817  -9.159
  174    H    GLN   4           H        GLN   4   7.766   3.684  -7.786
  175    HA   GLN   4           HA       GLN   4   6.853   5.071 -10.257
  176    HB2  GLN   4           2HB      GLN   4   6.335   2.794 -11.030
  177    HB3  GLN   4           3HB      GLN   4   8.020   2.908 -10.536
  178    HG2  GLN   4           2HG      GLN   4   7.550   1.741  -8.434
  179    HG3  GLN   4           3HG      GLN   4   5.819   1.788  -8.727
  180   HE21  GLN   4          2HE2      GLN   4   4.901   0.434 -10.410
  181   HE22  GLN   4          1HE2      GLN   4   5.816  -0.973 -10.964
  182    H    HIS   5           H        HIS   5   4.583   4.443 -10.975
  183    HA   HIS   5           HA       HIS   5   2.588   4.646  -8.863
  184    HB2  HIS   5           2HB      HIS   5   2.393   3.956 -11.816
  185    HB3  HIS   5           3HB      HIS   5   1.009   4.061 -10.723
  186    HD2  HIS   5           HD2      HIS   5   3.205   6.243 -12.855
  187    HE1  HIS   5           HE1      HIS   5   1.155   8.939 -10.275
  188    HE2  HIS   5           HE2      HIS   5   2.630   8.761 -12.351
  189    H    LEU   6           H        LEU   6   1.687   3.089  -7.711
  190    HA   LEU   6           HA       LEU   6   2.389   0.229  -8.252
  191    HB2  LEU   6           2HB      LEU   6   2.613  -0.030  -5.808
  192    HB3  LEU   6           3HB      LEU   6   3.838   0.923  -6.627
  193    HG   LEU   6           HG       LEU   6   2.991   2.998  -5.684
  194   HD11  LEU   6          1HD1      LEU   6   0.605   2.576  -5.482
  195   HD12  LEU   6          2HD1      LEU   6   0.897   1.206  -4.397
  196   HD13  LEU   6          3HD1      LEU   6   1.239   2.873  -3.863
  197   HD21  LEU   6          3HD2      LEU   6   3.328   0.794  -3.641
  198   HD22  LEU   6          1HD2      LEU   6   4.650   1.658  -4.457
  199   HD23  LEU   6          2HD2      LEU   6   3.578   2.530  -3.346
  200    H    CYS   7           H        CYS   7   1.113  -1.333  -7.183
  201    HA   CYS   7           HA       CYS   7  -1.679  -0.952  -6.476
  202    HB2  CYS   7           2HB      CYS   7  -0.853  -1.742  -9.283
  203    HB3  CYS   7           3HB      CYS   7  -2.272  -2.483  -8.573
  204    H    GLY   8           H        GLY   8  -2.678  -3.059  -5.991
  205    HA2  GLY   8           HA2      GLY   8  -2.704  -5.249  -5.215
  206    HA3  GLY   8           HA3      GLY   8  -1.804  -5.543  -6.701
  207    H    SER   9           H        SER   9  -0.144  -6.863  -6.311
  208    HA   SER   9           HA       SER   9   1.147  -7.407  -3.887
  209    HB2  SER   9           2HB      SER   9   2.360  -7.513  -6.673
  210    HB3  SER   9           3HB      SER   9   2.905  -8.406  -5.241
  211    HG   SER   9           HG       SER   9   1.562  -9.696  -6.612
  212    H    HIS  10           H        HIS  10   2.260  -5.020  -6.395
  213    HA   HIS  10           HA       HIS  10   4.570  -4.141  -5.001
  214    HB2  HIS  10           2HB      HIS  10   3.606  -3.629  -7.436
  215    HB3  HIS  10           3HB      HIS  10   2.945  -2.205  -6.619
  216    HD2  HIS  10           HD2      HIS  10   6.112  -3.719  -7.920
  217    HE1  HIS  10           HE1      HIS  10   7.288  -0.005  -6.192
  218    HE2  HIS  10           HE2      HIS  10   8.060  -1.946  -7.671
  219    H    LEU  11           H        LEU  11   1.174  -3.058  -4.771
  220    HA   LEU  11           HA       LEU  11   1.684  -0.886  -2.937
  221    HB2  LEU  11           2HB      LEU  11  -0.320  -0.894  -4.273
  222    HB3  LEU  11           3HB      LEU  11  -0.846  -2.435  -3.598
  223    HG   LEU  11           HG       LEU  11  -1.225  -1.427  -1.413
  224   HD11  LEU  11          1HD1      LEU  11  -1.064   0.976  -1.012
  225   HD12  LEU  11          2HD1      LEU  11   0.526   0.379  -1.468
  226   HD13  LEU  11          3HD1      LEU  11  -0.465   1.250  -2.651
  227   HD21  LEU  11          3HD2      LEU  11  -3.146  -0.017  -2.040
  228   HD22  LEU  11          1HD2      LEU  11  -2.491   0.180  -3.676
  229   HD23  LEU  11          2HD2      LEU  11  -3.025  -1.414  -3.122
  230    H    VAL  12           H        VAL  12   0.718  -4.317  -2.441
  231    HA   VAL  12           HA       VAL  12   0.687  -4.270   0.419
  232    HB   VAL  12           HB       VAL  12   1.300  -6.507  -1.560
  233   HG11  VAL  12          1HG1      VAL  12   0.935  -6.828   1.446
  234   HG12  VAL  12          2HG1      VAL  12   0.910  -8.146   0.261
  235   HG13  VAL  12          3HG1      VAL  12   2.389  -7.220   0.504
  236   HG21  VAL  12          3HG2      VAL  12  -0.927  -7.302  -1.062
  237   HG22  VAL  12          1HG2      VAL  12  -1.159  -6.033   0.160
  238   HG23  VAL  12          2HG2      VAL  12  -1.032  -5.611  -1.550
  239    H    GLU  13           H        GLU  13   3.392  -4.948  -1.819
  240    HA   GLU  13           HA       GLU  13   5.435  -5.397   0.115
  241    HB2  GLU  13           3HB      GLU  13   5.550  -4.234  -2.701
  242    HB3  GLU  13           2HB      GLU  13   6.973  -4.659  -1.765
  243    HG2  GLU  13           2HG      GLU  13   4.827  -6.740  -2.312
  244    HG3  GLU  13           3HG      GLU  13   6.005  -6.316  -3.536
  245    H    ALA  14           H        ALA  14   4.431  -2.342  -1.523
  246    HA   ALA  14           HA       ALA  14   6.289  -0.619  -0.263
  247    HB1  ALA  14           3HB      ALA  14   3.492  -0.103  -1.390
  248    HB2  ALA  14           1HB      ALA  14   4.716   1.132  -1.076
  249    HB3  ALA  14           2HB      ALA  14   5.007  -0.102  -2.318
  250    H    LEU  15           H        LEU  15   2.878  -1.351   0.613
  251    HA   LEU  15           HA       LEU  15   2.731   0.234   2.942
  252    HB2  LEU  15           2HB      LEU  15   1.356  -2.336   2.040
  253    HB3  LEU  15           3HB      LEU  15   1.002  -1.598   3.612
  254    HG   LEU  15           HG       LEU  15   0.665  -0.135   1.005
  255   HD11  LEU  15          1HD1      LEU  15  -0.758  -2.115   1.069
  256   HD12  LEU  15          2HD1      LEU  15  -1.413  -1.618   2.649
  257   HD13  LEU  15          3HD1      LEU  15  -1.728  -0.636   1.199
  258   HD21  LEU  15          3HD2      LEU  15  -0.266   0.351   3.864
  259   HD22  LEU  15          1HD2      LEU  15   0.854   1.357   2.946
  260   HD23  LEU  15          2HD2      LEU  15  -0.847   1.287   2.459
  261    H    TYR  16           H        TYR  16   3.817  -3.177   2.649
  262    HA   TYR  16           HA       TYR  16   4.444  -3.515   5.435
  263    HB2  TYR  16           2HB      TYR  16   4.212  -5.458   4.095
  264    HB3  TYR  16           3HB      TYR  16   5.336  -4.866   2.877
  265    HD1  TYR  16           HD1      TYR  16   5.213  -5.893   6.502
  266    HD2  TYR  16           HD2      TYR  16   7.612  -5.433   2.944
  267    HE1  TYR  16           HE1      TYR  16   7.140  -6.921   7.678
  268    HE2  TYR  16           HE2      TYR  16   9.555  -6.438   4.123
  269    HH   TYR  16           HH       TYR  16   9.351  -7.565   7.532
  270    H    LEU  17           H        LEU  17   6.473  -2.365   2.684
  271    HA   LEU  17           HA       LEU  17   8.874  -2.129   4.253
  272    HB2  LEU  17           2HB      LEU  17   7.939  -1.060   1.577
  273    HB3  LEU  17           3HB      LEU  17   9.510  -0.605   2.216
  274    HG   LEU  17           HG       LEU  17   8.644  -3.514   1.855
  275   HD11  LEU  17          1HD1      LEU  17   9.963  -3.536  -0.203
  276   HD12  LEU  17          2HD1      LEU  17   8.663  -2.341  -0.324
  277   HD13  LEU  17          3HD1      LEU  17  10.334  -1.808  -0.014
  278   HD21  LEU  17          3HD2      LEU  17  10.506  -3.271   3.445
  279   HD22  LEU  17          1HD2      LEU  17  11.088  -3.969   1.934
  280   HD23  LEU  17          2HD2      LEU  17  11.389  -2.254   2.285
  281    H    VAL  18           H        VAL  18   6.297   0.223   3.583
  282    HA   VAL  18           HA       VAL  18   7.557   2.403   5.037
  283    HB   VAL  18           HB       VAL  18   4.635   1.851   4.384
  284   HG11  VAL  18          1HG1      VAL  18   4.658   3.375   6.317
  285   HG12  VAL  18          2HG1      VAL  18   5.879   4.398   5.522
  286   HG13  VAL  18          3HG1      VAL  18   4.240   4.257   4.855
  287   HG21  VAL  18          3HG2      VAL  18   6.101   2.234   2.448
  288   HG22  VAL  18          1HG2      VAL  18   4.996   3.567   2.668
  289   HG23  VAL  18          2HG2      VAL  18   6.694   3.745   3.166
  290    H    CYS  19           H        CYS  19   4.980   0.085   5.966
  291    HA   CYS  19           HA       CYS  19   4.671   1.077   8.620
  292    HB2  CYS  19           2HB      CYS  19   2.997  -0.199   7.274
  293    HB3  CYS  19           3HB      CYS  19   3.978  -1.643   7.455
  294    H    GLY  20           H        GLY  20   6.656  -1.650   7.447
  295    HA2  GLY  20           HA2      GLY  20   8.459  -2.732   8.475
  296    HA3  GLY  20           HA3      GLY  20   8.207  -1.773   9.951
  297    H    GLU  21           H        GLU  21   7.957  -3.226  11.532
  298    HA   GLU  21           HA       GLU  21   6.764  -5.830  11.276
  299    HB2  GLU  21           2HB      GLU  21   7.353  -4.130  13.736
  300    HB3  GLU  21           3HB      GLU  21   6.828  -5.818  13.777
  301    HG2  GLU  21           2HG      GLU  21   8.837  -6.477  12.464
  302    HG3  GLU  21           3HG      GLU  21   9.399  -4.804  12.490
  303    H    ARG  22           H        ARG  22   4.894  -6.621  12.305
  304    HA   ARG  22           HA       ARG  22   2.756  -6.819  12.931
  305    HB2  ARG  22           2HB      ARG  22   2.501  -3.802  13.189
  306    HB3  ARG  22           3HB      ARG  22   1.409  -5.021  13.809
  307    HG2  ARG  22           2HG      ARG  22   4.260  -4.548  14.774
  308    HG3  ARG  22           3HG      ARG  22   2.770  -4.080  15.592
  309    HD2  ARG  22           2HD      ARG  22   2.125  -6.477  15.785
  310    HD3  ARG  22           3HD      ARG  22   3.661  -6.936  15.018
  311    HE   ARG  22           HE       ARG  22   4.232  -5.240  17.219
  312   HH11  ARG  22          1HH1      ARG  22   3.028  -8.527  16.697
  313   HH12  ARG  22          2HH1      ARG  22   3.641  -9.093  18.222
  314   HH21  ARG  22          1HH2      ARG  22   4.997  -6.034  19.172
  315   HH22  ARG  22          2HH2      ARG  22   4.740  -7.697  19.602
  316    H    GLY  23           H        GLY  23   3.593  -4.852  10.233
  317    HA2  GLY  23           HA2      GLY  23   2.783  -4.948   8.068
  318    HA3  GLY  23           HA3      GLY  23   1.675  -6.226   8.594
  319    H    HIS  24           H        HIS  24   0.215  -5.305   7.082
  320    HA   HIS  24           HA       HIS  24  -1.376  -2.996   8.115
  321    HB2  HIS  24           2HB      HIS  24  -1.609  -2.240   5.754
  322    HB3  HIS  24           3HB      HIS  24   0.038  -2.125   6.368
  323    HD2  HIS  24           HD2      HIS  24   1.894  -3.588   5.213
  324    HE1  HIS  24           HE1      HIS  24  -0.504  -5.254   2.139
  325    HE2  HIS  24           HE2      HIS  24   1.878  -4.966   2.973
  326    H    PHE  25           H        PHE  25  -3.568  -2.906   7.270
  327    HA   PHE  25           HA       PHE  25  -4.797  -5.553   7.357
  328    HB2  PHE  25           2HB      PHE  25  -6.904  -4.210   7.504
  329    HB3  PHE  25           3HB      PHE  25  -5.720  -3.928   8.759
  330    HD1  PHE  25           HD1      PHE  25  -6.897  -2.489   5.473
  331    HD2  PHE  25           HD2      PHE  25  -5.081  -1.731   9.318
  332    HE1  PHE  25           HE1      PHE  25  -7.024  -0.050   5.056
  333    HE2  PHE  25           HE2      PHE  25  -5.265   0.707   8.916
  334    HZ   PHE  25           HZ       PHE  25  -6.266   1.554   6.807
  335    H    TYR  26           H        TYR  26  -3.845  -3.576   4.716
  336    HA   TYR  26           HA       TYR  26  -5.905  -4.576   2.861
  337    HB2  TYR  26           2HB      TYR  26  -5.066  -2.364   2.494
  338    HB3  TYR  26           3HB      TYR  26  -3.403  -2.919   2.502
  339    HD1  TYR  26           HD1      TYR  26  -6.630  -3.536   0.609
  340    HD2  TYR  26           HD2      TYR  26  -2.332  -3.405   0.486
  341    HE1  TYR  26           HE1      TYR  26  -6.681  -3.957  -1.840
  342    HE2  TYR  26           HE2      TYR  26  -2.361  -3.722  -1.953
  343    HH   TYR  26           HH       TYR  26  -5.443  -4.144  -3.780
  344    H    THR  27           H        THR  27  -5.658  -6.839   3.225
  345    HA   THR  27           HA       THR  27  -3.310  -8.063   1.806
  346    HB   THR  27           HB       THR  27  -3.852 -10.125   3.069
  347    HG1  THR  27           HG1      THR  27  -5.961  -9.536   3.711
  348   HG21  THR  27          1HG2      THR  27  -2.727  -9.353   5.113
  349   HG22  THR  27          2HG2      THR  27  -2.004  -8.562   3.704
  350   HG23  THR  27          3HG2      THR  27  -3.119  -7.662   4.742
  351    HA   PRO  28           HA       PRO  28  -6.946  -8.363  -0.939
  352    HB2  PRO  28           2HB      PRO  28  -5.674  -8.183  -3.358
  353    HB3  PRO  28           3HB      PRO  28  -5.999  -6.770  -2.306
  354    HG2  PRO  28           2HG      PRO  28  -3.445  -8.409  -2.485
  355    HG3  PRO  28           3HG      PRO  28  -3.617  -6.627  -2.580
  356    HD2  PRO  28           2HD      PRO  28  -2.974  -7.859  -0.259
  357    HD3  PRO  28           3HD      PRO  28  -4.089  -6.457  -0.269
  358    H    LYS  29           H        LYS  29  -6.777 -11.678  -2.494
  359    HA   LYS  29           HA       LYS  29  -7.971  -9.065  -2.991
  360    HB2  LYS  29           2HB      LYS  29  -8.005 -10.981  -4.568
  361    HB3  LYS  29           3HB      LYS  29  -9.035 -11.878  -3.442
  362    HG2  LYS  29           2HG      LYS  29 -10.771 -10.096  -3.632
  363    HG3  LYS  29           3HG      LYS  29  -9.740  -9.210  -4.763
  364    HD2  LYS  29           2HD      LYS  29 -10.868 -12.012  -5.207
  365    HD3  LYS  29           3HD      LYS  29 -11.547 -10.517  -5.864
  366    HE2  LYS  29           2HE      LYS  29  -9.414 -10.090  -7.090
  367    HE3  LYS  29           3HE      LYS  29  -8.764 -11.615  -6.474
  368    HZ1  LYS  29           HZ1      LYS  29 -10.556 -12.775  -7.638
  369    HZ2  LYS  29           HZ2      LYS  29 -11.157 -11.365  -8.212
  370    HZ3  LYS  29           HZ3      LYS  29  -9.686 -11.883  -8.694
  371    H    THR  30           H        THR  30  -9.536  -8.058  -1.892
  372    HA   THR  30           HA       THR  30 -10.139  -8.666   0.812
  373    HB   THR  30           HB       THR  30 -11.637  -6.751  -1.008
  374    HG1  THR  30           HG1      THR  30 -10.037  -5.283  -0.392
  375   HG21  THR  30          1HG2      THR  30 -11.058  -6.714   1.994
  376   HG22  THR  30          2HG2      THR  30 -11.865  -5.420   1.078
  377   HG23  THR  30          3HG2      THR  30 -12.642  -6.999   1.241
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -11.524   2.403  -1.328
    2    H2   GLY   1           2H       GLY   1 -12.122   3.447  -0.214
    3    H3   GLY   1           3H       GLY   1 -11.206   2.176   0.262
    4    HA2  GLY   1           HA2      GLY   1 -10.277   4.477  -1.340
    5    HA3  GLY   1           HA3      GLY   1  -9.899   4.190   0.367
    6    H    ILE   2           H        ILE   2  -7.739   3.869   0.275
    7    HA   ILE   2           HA       ILE   2  -5.689   3.083  -0.256
    8    HB   ILE   2           HB       ILE   2  -6.367   1.579   1.392
    9   HG12  ILE   2          2HG1      ILE   2  -4.982  -0.373   1.038
   10   HG13  ILE   2          3HG1      ILE   2  -4.923  -0.095  -0.699
   11   HG21  ILE   2          1HG2      ILE   2  -8.441   0.626   0.548
   12   HG22  ILE   2          2HG2      ILE   2  -7.553  -0.338  -0.650
   13   HG23  ILE   2          3HG2      ILE   2  -7.333  -0.629   1.078
   14   HD11  ILE   2          3HD1      ILE   2  -3.875   1.844   1.404
   15   HD12  ILE   2          1HD1      ILE   2  -2.892   0.648   0.555
   16   HD13  ILE   2          2HD1      ILE   2  -3.643   1.970  -0.355
   17    H    VAL   3           H        VAL   3  -6.986   0.379  -2.119
   18    HA   VAL   3           HA       VAL   3  -5.063   0.774  -4.215
   19    HB   VAL   3           HB       VAL   3  -7.656  -0.823  -4.353
   20   HG11  VAL   3          1HG1      VAL   3  -6.630  -0.587  -6.583
   21   HG12  VAL   3          2HG1      VAL   3  -5.050  -1.086  -5.927
   22   HG13  VAL   3          3HG1      VAL   3  -6.404  -2.233  -5.994
   23   HG21  VAL   3          3HG2      VAL   3  -4.890  -1.708  -3.427
   24   HG22  VAL   3          1HG2      VAL   3  -6.343  -1.572  -2.413
   25   HG23  VAL   3          2HG2      VAL   3  -6.282  -2.779  -3.695
   26    H    GLU   4           H        GLU   4  -8.378   1.935  -3.761
   27    HA   GLU   4           HA       GLU   4  -8.913   2.837  -6.418
   28    HB2  GLU   4           2HB      GLU   4 -10.490   2.489  -4.402
   29    HB3  GLU   4           3HB      GLU   4  -9.935   4.057  -3.829
   30    HG2  GLU   4           2HG      GLU   4 -12.037   4.335  -4.950
   31    HG3  GLU   4           3HG      GLU   4 -10.810   5.094  -5.946
   32    H    GLN   5           H        GLN   5  -6.719   4.074  -4.030
   33    HA   GLN   5           HA       GLN   5  -6.322   6.621  -5.579
   34    HB2  GLN   5           2HB      GLN   5  -5.567   5.796  -2.733
   35    HB3  GLN   5           3HB      GLN   5  -4.828   7.154  -3.574
   36    HG2  GLN   5           2HG      GLN   5  -6.573   8.003  -2.159
   37    HG3  GLN   5           3HG      GLN   5  -7.014   8.246  -3.842
   38   HE21  GLN   5          2HE2      GLN   5  -9.212   7.882  -4.171
   39   HE22  GLN   5          1HE2      GLN   5 -10.155   6.707  -3.274
   40    H    CYS   6           H        CYS   6  -4.412   3.972  -3.947
   41    HA   CYS   6           HA       CYS   6  -2.007   4.854  -5.132
   42    HB2  CYS   6           2HB      CYS   6  -2.673   2.097  -4.072
   43    HB3  CYS   6           3HB      CYS   6  -1.059   2.738  -4.354
   44    H    CYS   7           H        CYS   7  -4.389   2.729  -6.597
   45    HA   CYS   7           HA       CYS   7  -2.497   1.729  -8.611
   46    HB2  CYS   7           2HB      CYS   7  -4.634   0.604  -7.590
   47    HB3  CYS   7           3HB      CYS   7  -5.499   1.530  -8.812
   48    H    THR   8           H        THR   8  -4.402   4.601  -8.326
   49    HA   THR   8           HA       THR   8  -4.189   5.187 -11.264
   50    HB   THR   8           HB       THR   8  -6.088   6.740 -10.881
   51    HG1  THR   8           HG1      THR   8  -7.236   6.416  -8.883
   52   HG21  THR   8          1HG2      THR   8  -7.836   5.053 -10.741
   53   HG22  THR   8          2HG2      THR   8  -6.484   4.404 -11.683
   54   HG23  THR   8          3HG2      THR   8  -6.724   3.883 -10.000
   55    H    SER   9           H        SER   9  -3.296   6.303  -8.080
   56    HA   SER   9           HA       SER   9  -1.567   8.372  -9.315
   57    HB2  SER   9           2HB      SER   9  -3.788   9.377  -8.418
   58    HB3  SER   9           3HB      SER   9  -3.194   8.937  -6.810
   59    HG   SER   9           HG       SER   9  -2.616  11.111  -7.454
   60    H    ILE  10           H        ILE  10   0.090   9.137  -7.688
   61    HA   ILE  10           HA       ILE  10   1.309   6.633  -6.831
   62    HB   ILE  10           HB       ILE  10   2.368   9.452  -7.130
   63   HG12  ILE  10          2HG1      ILE  10   2.379   6.838  -8.698
   64   HG13  ILE  10          3HG1      ILE  10   1.780   8.414  -9.195
   65   HG21  ILE  10          1HG2      ILE  10   4.631   8.497  -6.775
   66   HG22  ILE  10          2HG2      ILE  10   3.657   8.425  -5.320
   67   HG23  ILE  10          3HG2      ILE  10   3.892   6.956  -6.279
   68   HD11  ILE  10          3HD1      ILE  10   4.086   9.242  -9.321
   69   HD12  ILE  10          1HD1      ILE  10   4.671   7.600  -8.887
   70   HD13  ILE  10          2HD1      ILE  10   3.750   7.849 -10.386
   71    H    CYS  11           H        CYS  11   1.589   5.789  -5.009
   72    HA   CYS  11           HA       CYS  11   1.011   7.278  -2.494
   73    HB2  CYS  11           2HB      CYS  11   0.875   4.351  -3.224
   74    HB3  CYS  11           3HB      CYS  11   0.938   4.894  -1.543
   75    H    SER  12           H        SER  12   2.403   7.185  -0.781
   76    HA   SER  12           HA       SER  12   5.259   6.472  -1.187
   77    HB2  SER  12           2HB      SER  12   4.210   9.276  -0.614
   78    HB3  SER  12           3HB      SER  12   5.912   8.808  -0.681
   79    HG   SER  12           HG       SER  12   4.981   9.831  -2.636
   80    H    LEU  13           H        LEU  13   6.470   6.862   0.889
   81    HA   LEU  13           HA       LEU  13   5.472   5.522   2.989
   82    HB2  LEU  13           2HB      LEU  13   7.211   6.613   4.389
   83    HB3  LEU  13           3HB      LEU  13   7.792   5.957   2.876
   84    HG   LEU  13           HG       LEU  13   7.085   8.883   2.865
   85   HD11  LEU  13          1HD1      LEU  13   9.590   7.839   4.230
   86   HD12  LEU  13          2HD1      LEU  13   9.224   9.538   3.841
   87   HD13  LEU  13          3HD1      LEU  13   8.230   8.671   5.023
   88   HD21  LEU  13          3HD2      LEU  13   9.094   9.045   1.456
   89   HD22  LEU  13          1HD2      LEU  13   9.447   7.327   1.726
   90   HD23  LEU  13          2HD2      LEU  13   8.003   7.816   0.816
   91    H    TYR  14           H        TYR  14   5.165   9.088   2.920
   92    HA   TYR  14           HA       TYR  14   3.865   9.240   5.490
   93    HB2  TYR  14           2HB      TYR  14   3.336  11.595   4.631
   94    HB3  TYR  14           3HB      TYR  14   5.037  11.142   4.729
   95    HD1  TYR  14           HD2      TYR  14   2.183  11.602   2.364
   96    HD2  TYR  14           HD1      TYR  14   6.448  11.173   2.806
   97    HE1  TYR  14           HE2      TYR  14   2.469  12.018  -0.068
   98    HE2  TYR  14           HE1      TYR  14   6.757  11.632   0.394
   99    HH   TYR  14           HH       TYR  14   5.718  12.137  -1.613
  100    H    GLN  15           H        GLN  15   2.594   8.563   2.326
  101    HA   GLN  15           HA       GLN  15  -0.264   9.005   3.109
  102    HB2  GLN  15           2HB      GLN  15   1.214   8.126   0.599
  103    HB3  GLN  15           3HB      GLN  15  -0.513   7.846   0.778
  104    HG2  GLN  15           2HG      GLN  15  -0.916  10.261   1.024
  105    HG3  GLN  15           3HG      GLN  15   0.811  10.569   0.822
  106   HE21  GLN  15          2HE2      GLN  15   1.820   9.937  -1.341
  107   HE22  GLN  15          1HE2      GLN  15   0.766   9.733  -2.733
  108    H    LEU  16           H        LEU  16   2.040   6.352   2.346
  109    HA   LEU  16           HA       LEU  16   0.302   4.166   2.756
  110    HB2  LEU  16           2HB      LEU  16   3.280   4.628   2.922
  111    HB3  LEU  16           3HB      LEU  16   2.624   3.020   3.131
  112    HG   LEU  16           HG       LEU  16   2.225   4.722   0.627
  113   HD11  LEU  16          1HD1      LEU  16   3.901   3.205  -0.390
  114   HD12  LEU  16          2HD1      LEU  16   4.592   4.121   0.958
  115   HD13  LEU  16          3HD1      LEU  16   4.146   2.416   1.189
  116   HD21  LEU  16          3HD2      LEU  16   1.753   1.753   1.085
  117   HD22  LEU  16          1HD2      LEU  16   0.459   2.970   0.964
  118   HD23  LEU  16          2HD2      LEU  16   1.504   2.637  -0.429
  119    H    GLU  17           H        GLU  17   2.270   5.972   5.115
  120    HA   GLU  17           HA       GLU  17   2.006   4.274   7.314
  121    HB2  GLU  17           2HB      GLU  17   3.365   6.402   7.054
  122    HB3  GLU  17           3HB      GLU  17   1.905   7.315   7.445
  123    HG2  GLU  17           2HG      GLU  17   1.785   6.169   9.638
  124    HG3  GLU  17           3HG      GLU  17   3.164   5.157   9.202
  125    H    ASN  18           H        ASN  18  -0.492   6.313   5.893
  126    HA   ASN  18           HA       ASN  18  -2.285   6.362   8.150
  127    HB2  ASN  18           2HB      ASN  18  -2.833   6.618   5.163
  128    HB3  ASN  18           3HB      ASN  18  -4.009   6.916   6.414
  129   HD21  ASN  18          2HD2      ASN  18  -1.233   8.183   4.796
  130   HD22  ASN  18          1HD2      ASN  18  -1.172   9.737   5.629
  131    H    TYR  19           H        TYR  19  -1.463   3.773   6.007
  132    HA   TYR  19           HA       TYR  19  -3.828   2.190   6.908
  133    HB2  TYR  19           2HB      TYR  19  -1.993   1.381   4.673
  134    HB3  TYR  19           3HB      TYR  19  -3.635   0.857   4.990
  135    HD1  TYR  19           HD2      TYR  19  -5.568   2.474   4.459
  136    HD2  TYR  19           HD1      TYR  19  -1.485   3.309   3.424
  137    HE1  TYR  19           HE2      TYR  19  -6.328   4.241   2.879
  138    HE2  TYR  19           HE1      TYR  19  -2.204   5.070   1.845
  139    HH   TYR  19           HH       TYR  19  -5.693   5.869   1.372
  140    H    CYS  20           H        CYS  20  -0.900   2.797   8.047
  141    HA   CYS  20           HA       CYS  20   0.241   0.140   8.474
  142    HB2  CYS  20           2HB      CYS  20   1.628   2.118   8.360
  143    HB3  CYS  20           3HB      CYS  20   0.765   2.850   9.711
  144    H    ASN  21           H        ASN  21   0.060  -1.182  10.287
  145    HA   ASN  21           HA       ASN  21  -2.247  -0.952  12.023
  146    HB2  ASN  21           2HB      ASN  21   0.224  -2.732  12.060
  147    HB3  ASN  21           3HB      ASN  21  -1.027  -2.820  13.291
  148   HD21  ASN  21          1HD2      ASN  21  -0.420  -5.070  11.761
  149   HD22  ASN  21          2HD2      ASN  21  -1.836  -5.423  10.783
  150    H1   PHE   1           H        PHE   1  11.775   0.172  -1.459
  151    HA   PHE   1           HA       PHE   1  10.506  -0.595  -3.877
  152    HB2  PHE   1           2HB      PHE   1   8.243  -0.120  -3.561
  153    HB3  PHE   1           3HB      PHE   1   8.691  -1.165  -2.235
  154    HD1  PHE   1           HD2      PHE   1   9.274  -0.034   0.025
  155    HD2  PHE   1           HD1      PHE   1   7.231   1.977  -3.170
  156    HE1  PHE   1           HE2      PHE   1   8.320   1.579   1.666
  157    HE2  PHE   1           HE1      PHE   1   6.289   3.614  -1.546
  158    HZ   PHE   1           HZ       PHE   1   6.812   3.393   0.881
  159    H    VAL   2           H        VAL   2   9.387   1.373  -4.934
  160    HA   VAL   2           HA       VAL   2  10.553   3.991  -4.170
  161    HB   VAL   2           HB       VAL   2  11.172   4.508  -6.498
  162   HG11  VAL   2          1HG1      VAL   2  12.895   3.769  -4.880
  163   HG12  VAL   2          2HG1      VAL   2  12.698   2.093  -5.446
  164   HG13  VAL   2          3HG1      VAL   2  13.300   3.343  -6.550
  165   HG21  VAL   2          3HG2      VAL   2  10.774   1.542  -7.089
  166   HG22  VAL   2          1HG2      VAL   2   9.808   2.885  -7.745
  167   HG23  VAL   2          2HG2      VAL   2  11.513   2.736  -8.171
  168    H    ASN   3           H        ASN   3   9.505   5.797  -5.153
  169    HA   ASN   3           HA       ASN   3   6.705   5.738  -4.972
  170    HB2  ASN   3           2HB      ASN   3   8.368   7.817  -6.437
  171    HB3  ASN   3           3HB      ASN   3   6.793   8.045  -5.679
  172   HD21  ASN   3          2HD2      ASN   3   6.689   8.118  -3.277
  173   HD22  ASN   3          1HD2      ASN   3   8.173   8.387  -2.379
  174    H    GLN   4           H        GLN   4   5.156   5.035  -6.273
  175    HA   GLN   4           HA       GLN   4   5.077   5.336  -9.139
  176    HB2  GLN   4           2HB      GLN   4   5.265   3.036  -9.805
  177    HB3  GLN   4           3HB      GLN   4   6.723   3.450  -8.922
  178    HG2  GLN   4           2HG      GLN   4   5.582   2.404  -6.847
  179    HG3  GLN   4           3HG      GLN   4   4.368   1.772  -7.962
  180   HE21  GLN   4          1HE2      GLN   4   7.838   1.729  -7.144
  181   HE22  GLN   4          2HE2      GLN   4   8.178   0.197  -7.955
  182    H    HIS   5           H        HIS   5   3.144   3.902  -9.985
  183    HA   HIS   5           HA       HIS   5   0.853   4.459  -8.296
  184    HB2  HIS   5           2HB      HIS   5   1.074   3.132 -11.022
  185    HB3  HIS   5           3HB      HIS   5  -0.429   3.596 -10.228
  186    HD2  HIS   5           HD2      HIS   5   2.408   5.021 -12.300
  187    HE1  HIS   5           HE1      HIS   5  -0.167   8.293 -11.424
  188    HE2  HIS   5           HE2      HIS   5   1.828   7.534 -12.813
  189    H    LEU   6           H        LEU   6   1.866   2.976  -6.600
  190    HA   LEU   6           HA       LEU   6   2.290   0.245  -6.722
  191    HB2  LEU   6           2HB      LEU   6   1.157   1.896  -4.430
  192    HB3  LEU   6           3HB      LEU   6   1.768   0.258  -4.246
  193    HG   LEU   6           HG       LEU   6   3.486   2.597  -5.185
  194   HD11  LEU   6          1HD1      LEU   6   4.391   2.468  -2.851
  195   HD12  LEU   6          2HD1      LEU   6   2.694   2.975  -2.908
  196   HD13  LEU   6          3HD1      LEU   6   3.096   1.307  -2.463
  197   HD21  LEU   6          3HD2      LEU   6   4.235  -0.186  -4.169
  198   HD22  LEU   6          1HD2      LEU   6   4.347   0.344  -5.859
  199   HD23  LEU   6          2HD2      LEU   6   5.367   1.100  -4.630
  200    H    CYS   7           H        CYS   7   1.132  -1.526  -7.069
  201    HA   CYS   7           HA       CYS   7  -1.658  -1.877  -6.303
  202    HB2  CYS   7           2HB      CYS   7  -1.656  -0.186  -8.220
  203    HB3  CYS   7           3HB      CYS   7  -1.112  -1.481  -9.268
  204    H    GLY   8           H        GLY   8  -2.585  -3.900  -7.199
  205    HA2  GLY   8           HA2      GLY   8  -2.593  -6.100  -7.873
  206    HA3  GLY   8           HA3      GLY   8  -0.992  -5.851  -8.603
  207    H    SER   9           H        SER   9   0.577  -5.277  -6.539
  208    HA   SER   9           HA       SER   9   0.335  -7.105  -4.250
  209    HB2  SER   9           2HB      SER   9   1.084  -8.611  -6.104
  210    HB3  SER   9           3HB      SER   9   2.513  -7.589  -6.325
  211    HG   SER   9           HG       SER   9   2.906  -9.430  -4.964
  212    H    HIS  10           H        HIS  10   2.460  -4.929  -6.188
  213    HA   HIS  10           HA       HIS  10   4.457  -4.406  -4.409
  214    HB2  HIS  10           2HB      HIS  10   3.580  -3.357  -6.854
  215    HB3  HIS  10           3HB      HIS  10   3.552  -1.953  -5.793
  216    HD2  HIS  10           HD2      HIS  10   5.841  -4.503  -7.401
  217    HE1  HIS  10           HE1      HIS  10   8.450  -1.786  -5.418
  218    HE2  HIS  10           HE2      HIS  10   8.350  -3.753  -7.035
  219    H    LEU  11           H        LEU  11   1.221  -3.058  -4.189
  220    HA   LEU  11           HA       LEU  11   1.690  -1.026  -2.241
  221    HB2  LEU  11           2HB      LEU  11  -0.468  -1.940  -3.734
  222    HB3  LEU  11           3HB      LEU  11  -0.892  -2.519  -2.136
  223    HG   LEU  11           HG       LEU  11  -0.410   0.347  -3.038
  224   HD11  LEU  11          1HD1      LEU  11  -2.848  -1.113  -1.924
  225   HD12  LEU  11          2HD1      LEU  11  -2.792   0.603  -2.359
  226   HD13  LEU  11          3HD1      LEU  11  -2.591  -0.629  -3.616
  227   HD21  LEU  11          3HD2      LEU  11  -0.945  -0.621  -0.206
  228   HD22  LEU  11          1HD2      LEU  11   0.520   0.211  -0.780
  229   HD23  LEU  11          2HD2      LEU  11  -1.010   1.074  -0.750
  230    H    VAL  12           H        VAL  12   1.260  -4.546  -1.876
  231    HA   VAL  12           HA       VAL  12   0.994  -4.498   1.034
  232    HB   VAL  12           HB       VAL  12   1.881  -6.763  -0.835
  233   HG11  VAL  12          1HG1      VAL  12   0.887  -7.006   2.031
  234   HG12  VAL  12          2HG1      VAL  12   1.257  -8.337   0.930
  235   HG13  VAL  12          3HG1      VAL  12   2.552  -7.277   1.479
  236   HG21  VAL  12          3HG2      VAL  12  -0.389  -6.054  -1.410
  237   HG22  VAL  12          1HG2      VAL  12  -0.428  -7.626  -0.618
  238   HG23  VAL  12          2HG2      VAL  12  -0.877  -6.169   0.300
  239    H    GLU  13           H        GLU  13   3.637  -5.073  -1.266
  240    HA   GLU  13           HA       GLU  13   5.735  -5.546   0.598
  241    HB2  GLU  13           2HB      GLU  13   5.943  -4.211  -2.142
  242    HB3  GLU  13           3HB      GLU  13   7.250  -4.970  -1.243
  243    HG2  GLU  13           2HG      GLU  13   4.798  -6.415  -2.359
  244    HG3  GLU  13           3HG      GLU  13   6.377  -6.338  -3.114
  245    H    ALA  14           H        ALA  14   4.664  -2.490  -0.959
  246    HA   ALA  14           HA       ALA  14   6.489  -0.751   0.339
  247    HB1  ALA  14           3HB      ALA  14   5.176  -0.241  -1.708
  248    HB2  ALA  14           1HB      ALA  14   3.679  -0.238  -0.739
  249    HB3  ALA  14           2HB      ALA  14   4.936   0.980  -0.452
  250    H    LEU  15           H        LEU  15   3.058  -1.536   1.237
  251    HA   LEU  15           HA       LEU  15   3.050   0.038   3.594
  252    HB2  LEU  15           2HB      LEU  15   1.487  -2.425   2.764
  253    HB3  LEU  15           3HB      LEU  15   1.242  -1.635   4.329
  254    HG   LEU  15           HG       LEU  15   0.831  -0.253   1.678
  255   HD11  LEU  15          1HD1      LEU  15  -1.581  -0.484   2.204
  256   HD12  LEU  15          2HD1      LEU  15  -0.793  -2.062   2.031
  257   HD13  LEU  15          3HD1      LEU  15  -1.180  -1.432   3.648
  258   HD21  LEU  15          3HD2      LEU  15   1.372   1.299   3.538
  259   HD22  LEU  15          1HD2      LEU  15  -0.311   1.443   3.050
  260   HD23  LEU  15          2HD2      LEU  15   0.121   0.552   4.536
  261    H    TYR  16           H        TYR  16   4.095  -3.355   3.159
  262    HA   TYR  16           HA       TYR  16   4.715  -3.818   5.931
  263    HB2  TYR  16           2HB      TYR  16   4.502  -5.684   4.458
  264    HB3  TYR  16           3HB      TYR  16   5.679  -5.031   3.323
  265    HD1  TYR  16           HD2      TYR  16   5.367  -6.254   6.861
  266    HD2  TYR  16           HD1      TYR  16   7.965  -5.572   3.486
  267    HE1  TYR  16           HE2      TYR  16   7.243  -7.314   8.096
  268    HE2  TYR  16           HE1      TYR  16   9.856  -6.598   4.725
  269    HH   TYR  16           HH       TYR  16  10.538  -7.612   6.686
  270    H    LEU  17           H        LEU  17   6.747  -2.530   3.233
  271    HA   LEU  17           HA       LEU  17   9.110  -2.290   4.875
  272    HB2  LEU  17           2HB      LEU  17   8.266  -1.172   2.187
  273    HB3  LEU  17           3HB      LEU  17   9.827  -0.777   2.896
  274    HG   LEU  17           HG       LEU  17   8.907  -3.646   2.403
  275   HD11  LEU  17          1HD1      LEU  17   9.053  -2.423   0.269
  276   HD12  LEU  17          2HD1      LEU  17  10.702  -1.892   0.683
  277   HD13  LEU  17          3HD1      LEU  17  10.354  -3.614   0.417
  278   HD21  LEU  17          3HD2      LEU  17  10.692  -3.513   4.088
  279   HD22  LEU  17          1HD2      LEU  17  11.334  -4.163   2.580
  280   HD23  LEU  17          2HD2      LEU  17  11.655  -2.472   3.016
  281    H    VAL  18           H        VAL  18   6.507   0.021   4.170
  282    HA   VAL  18           HA       VAL  18   7.703   2.218   5.652
  283    HB   VAL  18           HB       VAL  18   4.812   1.622   4.910
  284   HG11  VAL  18          1HG1      VAL  18   4.343   4.026   5.377
  285   HG12  VAL  18          2HG1      VAL  18   4.728   3.140   6.851
  286   HG13  VAL  18          3HG1      VAL  18   5.952   4.196   6.105
  287   HG21  VAL  18          3HG2      VAL  18   6.837   3.610   3.793
  288   HG22  VAL  18          1HG2      VAL  18   6.398   2.068   3.044
  289   HG23  VAL  18          2HG2      VAL  18   5.180   3.324   3.212
  290    H    CYS  19           H        CYS  19   5.109  -0.104   6.525
  291    HA   CYS  19           HA       CYS  19   4.871   0.932   9.202
  292    HB2  CYS  19           2HB      CYS  19   3.098  -0.198   7.697
  293    HB3  CYS  19           3HB      CYS  19   3.817  -1.721   8.185
  294    H    GLY  20           H        GLY  20   6.722  -1.799   7.951
  295    HA2  GLY  20           HA2      GLY  20   8.498  -2.909   9.023
  296    HA3  GLY  20           HA3      GLY  20   7.971  -2.283  10.597
  297    H    GLU  21           H        GLU  21   8.418  -4.488  11.233
  298    HA   GLU  21           HA       GLU  21   7.248  -6.783  10.183
  299    HB2  GLU  21           2HB      GLU  21   8.033  -7.921  12.153
  300    HB3  GLU  21           3HB      GLU  21   9.224  -6.746  11.606
  301    HG2  GLU  21           2HG      GLU  21   8.456  -5.163  13.392
  302    HG3  GLU  21           3HG      GLU  21   7.297  -6.373  13.946
  303    H    ARG  22           H        ARG  22   5.588  -4.488  12.125
  304    HA   ARG  22           HA       ARG  22   3.626  -6.332  13.244
  305    HB2  ARG  22           2HB      ARG  22   2.533  -4.395  14.135
  306    HB3  ARG  22           3HB      ARG  22   4.263  -4.355  14.462
  307    HG2  ARG  22           2HG      ARG  22   4.576  -2.692  12.629
  308    HG3  ARG  22           3HG      ARG  22   2.828  -2.737  12.300
  309    HD2  ARG  22           2HD      ARG  22   2.364  -2.002  14.608
  310    HD3  ARG  22           3HD      ARG  22   4.086  -1.973  14.976
  311    HE   ARG  22           HE       ARG  22   2.525  -0.057  13.372
  312   HH11  ARG  22          1HH2      ARG  22   5.811  -1.000  14.310
  313   HH12  ARG  22          2HH2      ARG  22   6.462   0.569  13.946
  314   HH21  ARG  22          1HH1      ARG  22   3.438   1.929  12.913
  315   HH22  ARG  22          2HH1      ARG  22   5.136   2.205  13.173
  316    H    GLY  23           H        GLY  23   3.972  -5.068  10.119
  317    HA2  GLY  23           HA2      GLY  23   2.696  -5.467   8.234
  318    HA3  GLY  23           HA3      GLY  23   1.592  -6.412   9.245
  319    H    HIS  24           H        HIS  24  -0.000  -5.567   7.764
  320    HA   HIS  24           HA       HIS  24  -1.216  -3.013   8.634
  321    HB2  HIS  24           2HB      HIS  24  -1.404  -2.285   6.241
  322    HB3  HIS  24           3HB      HIS  24   0.225  -2.247   6.901
  323    HD2  HIS  24           HD2      HIS  24   2.052  -3.736   5.801
  324    HE1  HIS  24           HE1      HIS  24  -0.318  -5.339   2.654
  325    HE2  HIS  24           HE2      HIS  24   2.054  -5.110   3.551
  326    H    PHE  25           H        PHE  25  -3.401  -2.705   7.845
  327    HA   PHE  25           HA       PHE  25  -4.875  -5.221   7.940
  328    HB2  PHE  25           2HB      PHE  25  -6.828  -3.767   8.212
  329    HB3  PHE  25           3HB      PHE  25  -5.545  -3.409   9.346
  330    HD1  PHE  25           HD1      PHE  25  -7.080  -2.230   6.119
  331    HD2  PHE  25           HD2      PHE  25  -4.712  -1.192   9.577
  332    HE1  PHE  25           HE1      PHE  25  -7.207   0.164   5.490
  333    HE2  PHE  25           HE2      PHE  25  -4.885   1.204   8.965
  334    HZ   PHE  25           HZ       PHE  25  -6.152   1.890   6.936
  335    H    TYR  26           H        TYR  26  -3.764  -3.348   5.283
  336    HA   TYR  26           HA       TYR  26  -5.986  -3.647   3.501
  337    HB2  TYR  26           2HB      TYR  26  -4.384  -2.014   2.950
  338    HB3  TYR  26           3HB      TYR  26  -3.037  -3.121   3.160
  339    HD1  TYR  26           HD1      TYR  26  -6.176  -3.054   1.038
  340    HD2  TYR  26           HD2      TYR  26  -1.926  -3.759   1.224
  341    HE1  TYR  26           HE1      TYR  26  -6.191  -3.806  -1.330
  342    HE2  TYR  26           HE2      TYR  26  -1.924  -4.370  -1.178
  343    HH   TYR  26           HH       TYR  26  -4.919  -4.507  -3.129
  344    H    THR  27           H        THR  27  -3.334  -5.844   4.246
  345    HA   THR  27           HA       THR  27  -2.648  -7.406   2.349
  346    HB   THR  27           HB       THR  27  -2.890  -9.489   3.750
  347    HG1  THR  27           HG1      THR  27  -4.775  -8.769   4.860
  348   HG21  THR  27          1HG2      THR  27  -1.308  -8.684   5.444
  349   HG22  THR  27          2HG2      THR  27  -0.908  -8.022   3.851
  350   HG23  THR  27          3HG2      THR  27  -1.711  -7.000   5.062
  351    HA   PRO  28           HA       PRO  28  -6.564  -8.054   0.301
  352    HB2  PRO  28           2HB      PRO  28  -5.720  -8.541  -2.252
  353    HB3  PRO  28           3HB      PRO  28  -5.654  -6.925  -1.480
  354    HG2  PRO  28           2HG      PRO  28  -3.428  -8.978  -1.707
  355    HG3  PRO  28           3HG      PRO  28  -3.362  -7.229  -2.104
  356    HD2  PRO  28           2HD      PRO  28  -2.502  -8.185   0.288
  357    HD3  PRO  28           3HD      PRO  28  -3.366  -6.619   0.183
  358    H    LYS  29           H        LYS  29  -7.833  -9.726  -0.678
  359    HA   LYS  29           HA       LYS  29  -7.071 -12.465  -0.029
  360    HB2  LYS  29           2HB      LYS  29  -9.364 -11.540   0.233
  361    HB3  LYS  29           3HB      LYS  29  -9.492 -11.377  -1.525
  362    HG2  LYS  29           2HG      LYS  29  -9.176 -13.841  -1.764
  363    HG3  LYS  29           3HG      LYS  29  -9.065 -13.997  -0.006
  364    HD2  LYS  29           2HD      LYS  29 -11.487 -12.959  -1.549
  365    HD3  LYS  29           3HD      LYS  29 -11.293 -14.606  -0.931
  366    HE2  LYS  29           2HE      LYS  29 -11.124 -13.710   1.394
  367    HE3  LYS  29           3HE      LYS  29 -11.378 -12.073   0.774
  368    HZ1  LYS  29           HZ1      LYS  29 -13.557 -12.789  -0.037
  369    HZ2  LYS  29           HZ2      LYS  29 -13.323 -14.302   0.540
  370    HZ3  LYS  29           HZ3      LYS  29 -13.445 -13.042   1.572
  371    H    THR  30           H        THR  30  -6.082 -13.881  -1.281
  372    HA   THR  30           HA       THR  30  -4.914 -13.379  -3.792
  373    HB   THR  30           HB       THR  30  -5.547 -16.111  -2.622
  374    HG1  THR  30           HG1      THR  30  -3.585 -15.846  -1.540
  375   HG21  THR  30          1HG2      THR  30  -4.582 -16.205  -4.898
  376   HG22  THR  30          2HG2      THR  30  -3.271 -15.111  -4.404
  377   HG23  THR  30          3HG2      THR  30  -3.396 -16.742  -3.703
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1 -11.379   2.047  -0.639
    2    H2   GLY   1           2H       GLY   1 -10.879   3.070   0.541
    3    H3   GLY   1           3H       GLY   1 -11.789   1.761   0.920
    4    HA2  GLY   1           HA2      GLY   1  -9.512   1.346   1.539
    5    HA3  GLY   1           HA3      GLY   1 -10.039   0.255   0.243
    6    H    ILE   2           H        ILE   2  -7.315   1.214   0.962
    7    HA   ILE   2           HA       ILE   2  -6.365   3.340  -0.554
    8    HB   ILE   2           HB       ILE   2  -5.223   2.178   1.302
    9   HG12  ILE   2          2HG1      ILE   2  -3.471   2.535  -1.168
   10   HG13  ILE   2          3HG1      ILE   2  -4.104   3.838  -0.156
   11   HG21  ILE   2          1HG2      ILE   2  -4.242   0.131  -0.737
   12   HG22  ILE   2          2HG2      ILE   2  -3.893   0.192   1.000
   13   HG23  ILE   2          3HG2      ILE   2  -5.520  -0.189   0.457
   14   HD11  ILE   2          3HD1      ILE   2  -2.937   2.750   1.814
   15   HD12  ILE   2          1HD1      ILE   2  -2.125   1.687   0.681
   16   HD13  ILE   2          2HD1      ILE   2  -1.872   3.440   0.569
   17    H    VAL   3           H        VAL   3  -6.762   0.061  -1.738
   18    HA   VAL   3           HA       VAL   3  -5.375   0.234  -4.172
   19    HB   VAL   3           HB       VAL   3  -6.387  -1.786  -3.092
   20   HG11  VAL   3          1HG1      VAL   3  -8.708  -0.957  -2.779
   21   HG12  VAL   3          2HG1      VAL   3  -8.957  -1.040  -4.537
   22   HG13  VAL   3          3HG1      VAL   3  -8.631  -2.516  -3.614
   23   HG21  VAL   3          3HG2      VAL   3  -6.922  -1.518  -6.075
   24   HG22  VAL   3          1HG2      VAL   3  -5.363  -1.911  -5.308
   25   HG23  VAL   3          2HG2      VAL   3  -6.725  -3.030  -5.168
   26    H    GLU   4           H        GLU   4  -8.470   1.718  -3.341
   27    HA   GLU   4           HA       GLU   4  -9.327   2.211  -6.083
   28    HB2  GLU   4           2HB      GLU   4 -10.218   3.458  -3.453
   29    HB3  GLU   4           3HB      GLU   4 -11.022   3.651  -5.009
   30    HG2  GLU   4           2HG      GLU   4 -11.502   1.242  -5.117
   31    HG3  GLU   4           3HG      GLU   4 -10.665   0.976  -3.586
   32    H    GLN   5           H        GLN   5  -6.944   3.656  -4.062
   33    HA   GLN   5           HA       GLN   5  -6.977   6.236  -5.575
   34    HB2  GLN   5           2HB      GLN   5  -6.860   6.362  -3.105
   35    HB3  GLN   5           3HB      GLN   5  -5.406   5.361  -3.105
   36    HG2  GLN   5           2HG      GLN   5  -4.222   7.119  -4.447
   37    HG3  GLN   5           3HG      GLN   5  -5.685   8.110  -4.402
   38   HE21  GLN   5          2HE2      GLN   5  -3.159   6.593  -2.307
   39   HE22  GLN   5          1HE2      GLN   5  -3.369   7.748  -1.000
   40    H    CYS   6           H        CYS   6  -4.511   3.808  -4.468
   41    HA   CYS   6           HA       CYS   6  -2.660   5.031  -6.314
   42    HB2  CYS   6           2HB      CYS   6  -2.336   2.703  -4.429
   43    HB3  CYS   6           3HB      CYS   6  -1.030   3.470  -5.337
   44    H    CYS   7           H        CYS   7  -4.796   2.517  -6.956
   45    HA   CYS   7           HA       CYS   7  -3.153   1.550  -9.269
   46    HB2  CYS   7           2HB      CYS   7  -5.781   0.636  -8.097
   47    HB3  CYS   7           3HB      CYS   7  -5.117   0.020  -9.603
   48    H    THR   8           H        THR   8  -4.966   3.964 -11.323
   49    HA   THR   8           HA       THR   8  -2.314   3.344 -10.093
   50    HB   THR   8           HB       THR   8  -1.457   4.310 -12.281
   51    HG1  THR   8           HG1      THR   8  -2.875   4.041 -14.030
   52   HG21  THR   8          1HG2      THR   8  -2.907   1.620 -12.288
   53   HG22  THR   8          2HG2      THR   8  -1.590   2.106 -13.379
   54   HG23  THR   8          3HG2      THR   8  -1.276   1.927 -11.647
   55    H    SER   9           H        SER   9  -1.677   4.850  -8.764
   56    HA   SER   9           HA       SER   9  -1.363   7.593  -9.530
   57    HB2  SER   9           2HB      SER   9  -3.820   7.562  -8.754
   58    HB3  SER   9           3HB      SER   9  -3.176   7.232  -7.133
   59    HG   SER   9           HG       SER   9  -3.481   9.510  -7.600
   60    H    ILE  10           H        ILE  10  -0.170   8.802  -7.743
   61    HA   ILE  10           HA       ILE  10   1.929   7.046  -6.843
   62    HB   ILE  10           HB       ILE  10   1.464   9.958  -6.137
   63   HG12  ILE  10          2HG1      ILE  10   1.728   9.666  -8.573
   64   HG13  ILE  10          3HG1      ILE  10   3.067  10.534  -7.845
   65   HG21  ILE  10          1HG2      ILE  10   3.891   8.151  -5.718
   66   HG22  ILE  10          2HG2      ILE  10   3.952   9.928  -5.646
   67   HG23  ILE  10          3HG2      ILE  10   2.953   9.031  -4.507
   68   HD11  ILE  10          3HD1      ILE  10   4.477   8.493  -7.942
   69   HD12  ILE  10          1HD1      ILE  10   3.119   7.608  -8.693
   70   HD13  ILE  10          2HD1      ILE  10   3.873   8.969  -9.539
   71    H    CYS  11           H        CYS  11   2.007   5.791  -5.196
   72    HA   CYS  11           HA       CYS  11   0.836   6.603  -2.555
   73    HB2  CYS  11           2HB      CYS  11   1.299   3.992  -3.880
   74    HB3  CYS  11           3HB      CYS  11   1.909   4.082  -2.237
   75    H    SER  12           H        SER  12   2.248   7.097  -0.898
   76    HA   SER  12           HA       SER  12   5.193   6.859  -1.348
   77    HB2  SER  12           2HB      SER  12   3.781   9.372  -0.390
   78    HB3  SER  12           3HB      SER  12   5.515   9.160  -0.633
   79    HG   SER  12           HG       SER  12   4.412  10.292  -2.363
   80    H    LEU  13           H        LEU  13   6.453   6.921   0.563
   81    HA   LEU  13           HA       LEU  13   5.565   5.371   2.624
   82    HB2  LEU  13           2HB      LEU  13   7.615   5.932   3.762
   83    HB3  LEU  13           3HB      LEU  13   7.847   5.729   2.031
   84    HG   LEU  13           HG       LEU  13   7.557   8.470   2.171
   85   HD11  LEU  13          1HD1      LEU  13   9.110   7.662   4.675
   86   HD12  LEU  13          2HD1      LEU  13   8.887   9.307   4.046
   87   HD13  LEU  13          3HD1      LEU  13   7.506   8.412   4.696
   88   HD21  LEU  13          3HD2      LEU  13   9.324   7.268   0.968
   89   HD22  LEU  13          1HD2      LEU  13  10.007   8.573   1.951
   90   HD23  LEU  13          2HD2      LEU  13  10.137   6.887   2.504
   91    H    TYR  14           H        TYR  14   5.573   8.936   2.849
   92    HA   TYR  14           HA       TYR  14   4.723   8.940   5.606
   93    HB2  TYR  14           2HB      TYR  14   4.272  11.403   5.056
   94    HB3  TYR  14           3HB      TYR  14   5.921  10.824   4.834
   95    HD1  TYR  14           HD2      TYR  14   2.792  11.765   3.048
   96    HD2  TYR  14           HD1      TYR  14   6.990  10.872   2.676
   97    HE1  TYR  14           HE2      TYR  14   2.702  12.374   0.637
   98    HE2  TYR  14           HE1      TYR  14   6.931  11.543   0.288
   99    HH   TYR  14           HH       TYR  14   5.634  12.334  -1.449
  100    H    GLN  15           H        GLN  15   2.948   8.636   2.641
  101    HA   GLN  15           HA       GLN  15   0.304   9.177   3.920
  102    HB2  GLN  15           2HB      GLN  15   1.272   8.559   1.110
  103    HB3  GLN  15           3HB      GLN  15  -0.424   8.343   1.536
  104    HG2  GLN  15           2HG      GLN  15   1.098  10.958   1.792
  105    HG3  GLN  15           3HG      GLN  15   0.037  10.524   0.462
  106   HE21  GLN  15          2HE2      GLN  15  -2.326  10.355   0.899
  107   HE22  GLN  15          1HE2      GLN  15  -2.976  11.141   2.329
  108    H    LEU  16           H        LEU  16   2.202   6.457   2.542
  109    HA   LEU  16           HA       LEU  16   0.417   4.337   3.056
  110    HB2  LEU  16           2HB      LEU  16   3.422   4.619   2.946
  111    HB3  LEU  16           3HB      LEU  16   2.676   3.041   3.140
  112    HG   LEU  16           HG       LEU  16   2.166   4.878   0.751
  113   HD11  LEU  16          1HD1      LEU  16   4.521   4.139   0.808
  114   HD12  LEU  16          2HD1      LEU  16   4.011   2.458   1.071
  115   HD13  LEU  16          3HD1      LEU  16   3.648   3.277  -0.468
  116   HD21  LEU  16          3HD2      LEU  16   1.229   2.859  -0.276
  117   HD22  LEU  16          1HD2      LEU  16   1.605   1.934   1.177
  118   HD23  LEU  16          2HD2      LEU  16   0.359   3.210   1.236
  119    H    GLU  17           H        GLU  17   2.646   5.959   5.295
  120    HA   GLU  17           HA       GLU  17   2.543   4.089   7.383
  121    HB2  GLU  17           2HB      GLU  17   3.970   6.221   7.090
  122    HB3  GLU  17           3HB      GLU  17   2.622   7.094   7.825
  123    HG2  GLU  17           2HG      GLU  17   2.795   5.588   9.822
  124    HG3  GLU  17           3HG      GLU  17   4.122   4.729   9.040
  125    H    ASN  18           H        ASN  18   0.033   6.350   6.375
  126    HA   ASN  18           HA       ASN  18  -1.477   6.402   8.828
  127    HB2  ASN  18           2HB      ASN  18  -2.307   6.874   5.933
  128    HB3  ASN  18           3HB      ASN  18  -3.351   7.151   7.302
  129   HD21  ASN  18          2HD2      ASN  18  -0.582   8.338   5.567
  130   HD22  ASN  18          1HD2      ASN  18  -0.409   9.854   6.453
  131    H    TYR  19           H        TYR  19  -1.105   3.880   6.488
  132    HA   TYR  19           HA       TYR  19  -3.562   2.471   7.423
  133    HB2  TYR  19           2HB      TYR  19  -1.785   1.722   5.114
  134    HB3  TYR  19           3HB      TYR  19  -3.420   1.170   5.435
  135    HD1  TYR  19           HD1      TYR  19  -1.319   3.946   4.252
  136    HD2  TYR  19           HD2      TYR  19  -5.358   2.573   4.731
  137    HE1  TYR  19           HE1      TYR  19  -2.058   5.741   2.744
  138    HE2  TYR  19           HE2      TYR  19  -6.150   4.411   3.247
  139    HH   TYR  19           HH       TYR  19  -3.894   6.771   1.753
  140    H    CYS  20           H        CYS  20  -0.491   2.741   8.444
  141    HA   CYS  20           HA       CYS  20   0.404   0.010   8.766
  142    HB2  CYS  20           2HB      CYS  20   1.876   1.972   8.777
  143    HB3  CYS  20           3HB      CYS  20   1.100   2.563  10.243
  144    H    ASN  21           H        ASN  21  -0.032  -1.450  10.444
  145    HA   ASN  21           HA       ASN  21  -2.384  -1.126  12.043
  146    HB2  ASN  21           2HB      ASN  21  -0.052  -3.070  12.206
  147    HB3  ASN  21           3HB      ASN  21  -1.422  -3.149  13.300
  148   HD21  ASN  21          1HD2      ASN  21  -0.691  -5.279  11.617
  149   HD22  ASN  21          2HD2      ASN  21  -2.048  -5.544  10.527
  150    H1   PHE   1           H        PHE   1  11.835  -0.017  -2.084
  151    HA   PHE   1           HA       PHE   1  10.590  -0.191  -4.134
  152    HB2  PHE   1           2HB      PHE   1   8.307  -0.398  -3.410
  153    HB3  PHE   1           3HB      PHE   1   9.383  -1.001  -2.162
  154    HD1  PHE   1           HD2      PHE   1   7.253   1.846  -3.179
  155    HD2  PHE   1           HD1      PHE   1   9.435   0.027   0.031
  156    HE1  PHE   1           HE2      PHE   1   6.179   3.431  -1.570
  157    HE2  PHE   1           HE1      PHE   1   8.343   1.570   1.656
  158    HZ   PHE   1           HZ       PHE   1   6.705   3.271   0.846
  159    H    VAL   2           H        VAL   2  10.796   2.887  -2.864
  160    HA   VAL   2           HA       VAL   2  10.494   4.984  -3.473
  161    HB   VAL   2           HB       VAL   2  10.801   5.719  -5.718
  162   HG11  VAL   2          1HG1      VAL   2  12.993   4.755  -6.128
  163   HG12  VAL   2          2HG1      VAL   2  12.737   4.957  -4.387
  164   HG13  VAL   2          3HG1      VAL   2  12.605   3.344  -5.124
  165   HG21  VAL   2          3HG2      VAL   2  10.734   2.893  -6.777
  166   HG22  VAL   2          1HG2      VAL   2   9.417   4.086  -6.974
  167   HG23  VAL   2          2HG2      VAL   2  11.015   4.394  -7.661
  168    H    ASN   3           H        ASN   3   9.230   6.735  -4.219
  169    HA   ASN   3           HA       ASN   3   6.356   6.340  -4.011
  170    HB2  ASN   3           2HB      ASN   3   7.977   8.780  -4.809
  171    HB3  ASN   3           3HB      ASN   3   6.272   8.766  -4.371
  172   HD21  ASN   3          2HD2      ASN   3   8.219  10.393  -3.074
  173   HD22  ASN   3          1HD2      ASN   3   8.385   9.821  -1.423
  174    H    GLN   4           H        GLN   4   5.172   5.464  -5.578
  175    HA   GLN   4           HA       GLN   4   5.218   6.407  -8.313
  176    HB2  GLN   4           2HB      GLN   4   5.969   4.487  -9.452
  177    HB3  GLN   4           3HB      GLN   4   7.228   4.946  -8.326
  178    HG2  GLN   4           2HG      GLN   4   6.488   3.130  -6.776
  179    HG3  GLN   4           3HG      GLN   4   5.259   2.644  -7.951
  180   HE21  GLN   4          2HE2      GLN   4   8.404   1.915  -6.925
  181   HE22  GLN   4          1HE2      GLN   4   9.013   1.274  -8.436
  182    H    HIS   5           H        HIS   5   3.859   4.623  -9.670
  183    HA   HIS   5           HA       HIS   5   1.233   4.744  -8.508
  184    HB2  HIS   5           2HB      HIS   5   2.178   3.628 -11.163
  185    HB3  HIS   5           3HB      HIS   5   0.508   3.983 -10.717
  186    HD2  HIS   5           HD2      HIS   5   3.629   5.624 -12.070
  187    HE1  HIS   5           HE1      HIS   5   0.880   8.804 -11.405
  188    HE2  HIS   5           HE2      HIS   5   3.110   8.172 -12.464
  189    H    LEU   6           H        LEU   6   2.351   3.210  -6.767
  190    HA   LEU   6           HA       LEU   6   2.648   0.424  -7.190
  191    HB2  LEU   6           2HB      LEU   6   1.906   1.937  -4.664
  192    HB3  LEU   6           3HB      LEU   6   2.505   0.288  -4.691
  193    HG   LEU   6           HG       LEU   6   4.164   2.565  -5.838
  194   HD11  LEU   6          1HD1      LEU   6   3.567   3.250  -3.638
  195   HD12  LEU   6          2HD1      LEU   6   3.977   1.660  -2.977
  196   HD13  LEU   6          3HD1      LEU   6   5.247   2.728  -3.646
  197   HD21  LEU   6          3HD2      LEU   6   4.937   0.296  -6.405
  198   HD22  LEU   6          1HD2      LEU   6   6.059   1.095  -5.297
  199   HD23  LEU   6          2HD2      LEU   6   4.946  -0.136  -4.675
  200    H    CYS   7           H        CYS   7   1.290  -1.205  -7.347
  201    HA   CYS   7           HA       CYS   7  -1.615  -0.905  -6.668
  202    HB2  CYS   7           2HB      CYS   7  -1.229  -0.070  -8.943
  203    HB3  CYS   7           3HB      CYS   7  -0.499  -1.615  -9.398
  204    H    GLY   8           H        GLY   8  -2.531  -2.780  -5.932
  205    HA2  GLY   8           HA2      GLY   8  -2.801  -5.001  -5.314
  206    HA3  GLY   8           HA3      GLY   8  -1.851  -5.413  -6.748
  207    H    SER   9           H        SER   9  -0.095  -6.569  -6.346
  208    HA   SER   9           HA       SER   9   0.959  -7.195  -3.776
  209    HB2  SER   9           2HB      SER   9   2.865  -8.133  -5.122
  210    HB3  SER   9           3HB      SER   9   1.259  -8.716  -5.582
  211    HG   SER   9           HG       SER   9   2.532  -8.158  -7.422
  212    H    HIS  10           H        HIS  10   2.307  -4.950  -6.277
  213    HA   HIS  10           HA       HIS  10   4.493  -3.931  -4.825
  214    HB2  HIS  10           2HB      HIS  10   2.597  -2.711  -6.864
  215    HB3  HIS  10           3HB      HIS  10   3.891  -1.769  -6.150
  216    HD2  HIS  10           HD2      HIS  10   4.874  -5.359  -6.858
  217    HE1  HIS  10           HE1      HIS  10   6.488  -3.007 -10.015
  218    HE2  HIS  10           HE2      HIS  10   6.486  -5.319  -8.939
  219    H    LEU  11           H        LEU  11   1.080  -3.022  -4.519
  220    HA   LEU  11           HA       LEU  11   1.515  -0.774  -2.737
  221    HB2  LEU  11           2HB      LEU  11  -0.548  -1.634  -4.308
  222    HB3  LEU  11           3HB      LEU  11  -1.100  -2.250  -2.762
  223    HG   LEU  11           HG       LEU  11  -0.456   0.634  -3.503
  224   HD11  LEU  11          1HD1      LEU  11  -2.909   0.944  -3.131
  225   HD12  LEU  11          2HD1      LEU  11  -2.572  -0.212  -4.430
  226   HD13  LEU  11          3HD1      LEU  11  -3.072  -0.794  -2.828
  227   HD21  LEU  11          3HD2      LEU  11  -1.319   1.290  -1.326
  228   HD22  LEU  11          1HD2      LEU  11  -1.447  -0.418  -0.826
  229   HD23  LEU  11          2HD2      LEU  11   0.141   0.332  -1.144
  230    H    VAL  12           H        VAL  12   0.535  -4.180  -2.224
  231    HA   VAL  12           HA       VAL  12   0.471  -4.100   0.646
  232    HB   VAL  12           HB       VAL  12   0.979  -6.380  -1.320
  233   HG11  VAL  12          1HG1      VAL  12   0.459  -7.984   0.497
  234   HG12  VAL  12          2HG1      VAL  12   1.980  -7.141   0.775
  235   HG13  VAL  12          3HG1      VAL  12   0.527  -6.667   1.679
  236   HG21  VAL  12          3HG2      VAL  12  -1.278  -5.397  -1.420
  237   HG22  VAL  12          1HG2      VAL  12  -1.321  -7.042  -0.794
  238   HG23  VAL  12          2HG2      VAL  12  -1.483  -5.666   0.322
  239    H    GLU  13           H        GLU  13   3.141  -4.912  -1.576
  240    HA   GLU  13           HA       GLU  13   5.135  -5.523   0.370
  241    HB2  GLU  13           2HB      GLU  13   5.318  -4.361  -2.439
  242    HB3  GLU  13           3HB      GLU  13   6.725  -4.852  -1.505
  243    HG2  GLU  13           2HG      GLU  13   4.468  -6.806  -2.091
  244    HG3  GLU  13           3HG      GLU  13   5.747  -6.477  -3.248
  245    H    ALA  14           H        ALA  14   4.357  -2.395  -1.258
  246    HA   ALA  14           HA       ALA  14   6.311  -0.805   0.044
  247    HB1  ALA  14           3HB      ALA  14   4.815   1.056  -0.664
  248    HB2  ALA  14           1HB      ALA  14   5.083  -0.113  -1.968
  249    HB3  ALA  14           2HB      ALA  14   3.548  -0.106  -1.063
  250    H    LEU  15           H        LEU  15   2.856  -1.334   0.925
  251    HA   LEU  15           HA       LEU  15   2.832   0.179   3.309
  252    HB2  LEU  15           2HB      LEU  15   1.308  -2.282   2.379
  253    HB3  LEU  15           3HB      LEU  15   1.027  -1.554   3.971
  254    HG   LEU  15           HG       LEU  15   0.711  -0.027   1.403
  255   HD11  LEU  15          1HD1      LEU  15  -1.703  -0.411   1.668
  256   HD12  LEU  15          2HD1      LEU  15  -0.812  -1.928   1.460
  257   HD13  LEU  15          3HD1      LEU  15  -1.394  -1.449   3.074
  258   HD21  LEU  15          3HD2      LEU  15  -0.194   0.456   4.282
  259   HD22  LEU  15          1HD2      LEU  15   1.029   1.396   3.421
  260   HD23  LEU  15          2HD2      LEU  15  -0.658   1.477   2.898
  261    H    TYR  16           H        TYR  16   3.762  -3.257   2.872
  262    HA   TYR  16           HA       TYR  16   4.380  -3.704   5.653
  263    HB2  TYR  16           2HB      TYR  16   3.961  -5.602   4.290
  264    HB3  TYR  16           3HB      TYR  16   5.134  -5.100   3.074
  265    HD1  TYR  16           HD2      TYR  16   4.920  -6.079   6.709
  266    HD2  TYR  16           HD1      TYR  16   7.350  -5.859   3.154
  267    HE1  TYR  16           HE2      TYR  16   6.797  -7.155   7.931
  268    HE2  TYR  16           HE1      TYR  16   9.240  -6.902   4.369
  269    HH   TYR  16           HH       TYR  16   9.973  -7.799   6.373
  270    H    LEU  17           H        LEU  17   6.478  -2.633   2.899
  271    HA   LEU  17           HA       LEU  17   8.888  -2.591   4.466
  272    HB2  LEU  17           2HB      LEU  17   8.000  -1.705   1.777
  273    HB3  LEU  17           3HB      LEU  17   9.203  -0.646   2.473
  274    HG   LEU  17           HG       LEU  17  10.163  -2.358   1.021
  275   HD11  LEU  17          1HD1      LEU  17  11.051  -2.691   3.920
  276   HD12  LEU  17          2HD1      LEU  17  12.012  -3.019   2.466
  277   HD13  LEU  17          3HD1      LEU  17  11.514  -1.360   2.837
  278   HD21  LEU  17          3HD2      LEU  17   8.607  -4.229   1.498
  279   HD22  LEU  17          1HD2      LEU  17  10.306  -4.701   1.661
  280   HD23  LEU  17          2HD2      LEU  17   9.333  -4.409   3.113
  281    H    VAL  18           H        VAL  18   6.440  -0.076   3.911
  282    HA   VAL  18           HA       VAL  18   7.779   1.984   5.437
  283    HB   VAL  18           HB       VAL  18   4.835   1.567   4.782
  284   HG11  VAL  18          1HG1      VAL  18   4.908   3.058   6.739
  285   HG12  VAL  18          2HG1      VAL  18   6.176   4.043   5.967
  286   HG13  VAL  18          3HG1      VAL  18   4.541   3.983   5.281
  287   HG21  VAL  18          3HG2      VAL  18   6.394   1.951   2.875
  288   HG22  VAL  18          1HG2      VAL  18   5.229   3.244   3.083
  289   HG23  VAL  18          2HG2      VAL  18   6.914   3.469   3.619
  290    H    CYS  19           H        CYS  19   5.068  -0.192   6.334
  291    HA   CYS  19           HA       CYS  19   4.981   0.730   9.060
  292    HB2  CYS  19           2HB      CYS  19   3.095  -0.229   7.658
  293    HB3  CYS  19           3HB      CYS  19   3.824  -1.812   7.866
  294    H    GLY  20           H        GLY  20   6.673  -2.009   7.622
  295    HA2  GLY  20           HA2      GLY  20   8.324  -3.392   8.497
  296    HA3  GLY  20           HA3      GLY  20   8.134  -2.641  10.091
  297    H    GLU  21           H        GLU  21   8.234  -4.710  11.003
  298    HA   GLU  21           HA       GLU  21   6.754  -6.978  10.365
  299    HB2  GLU  21           2HB      GLU  21   8.775  -6.754  11.825
  300    HB3  GLU  21           3HB      GLU  21   7.743  -6.135  13.119
  301    HG2  GLU  21           2HG      GLU  21   6.554  -8.286  13.230
  302    HG3  GLU  21           3HG      GLU  21   7.429  -8.874  11.810
  303    H    ARG  22           H        ARG  22   5.525  -4.155  11.947
  304    HA   ARG  22           HA       ARG  22   3.337  -5.203  13.461
  305    HB2  ARG  22           2HB      ARG  22   3.863  -2.548  12.077
  306    HB3  ARG  22           3HB      ARG  22   2.346  -2.870  12.897
  307    HG2  ARG  22           2HG      ARG  22   3.768  -1.639  14.371
  308    HG3  ARG  22           3HG      ARG  22   3.481  -3.248  15.020
  309    HD2  ARG  22           2HD      ARG  22   5.770  -2.523  15.405
  310    HD3  ARG  22           3HD      ARG  22   5.742  -3.954  14.374
  311    HE   ARG  22           HE       ARG  22   5.782  -1.682  12.666
  312   HH11  ARG  22          1HH2      ARG  22   7.989  -3.087  15.061
  313   HH12  ARG  22          2HH2      ARG  22   9.383  -2.380  14.302
  314   HH21  ARG  22          1HH1      ARG  22   7.571  -0.874  11.734
  315   HH22  ARG  22          2HH1      ARG  22   9.155  -1.097  12.448
  316    H    GLY  23           H        GLY  23   3.691  -4.658   9.980
  317    HA2  GLY  23           HA2      GLY  23   2.376  -5.324   8.189
  318    HA3  GLY  23           HA3      GLY  23   1.332  -6.204   9.320
  319    H    HIS  24           H        HIS  24  -0.155  -5.344   7.543
  320    HA   HIS  24           HA       HIS  24  -1.492  -2.866   8.494
  321    HB2  HIS  24           2HB      HIS  24  -1.634  -2.041   6.155
  322    HB3  HIS  24           3HB      HIS  24   0.004  -2.063   6.798
  323    HD2  HIS  24           HD2      HIS  24   1.784  -3.560   5.592
  324    HE1  HIS  24           HE1      HIS  24  -0.690  -5.020   2.466
  325    HE2  HIS  24           HE2      HIS  24   1.702  -4.879   3.315
  326    H    PHE  25           H        PHE  25  -3.653  -2.584   7.690
  327    HA   PHE  25           HA       PHE  25  -5.093  -5.105   7.800
  328    HB2  PHE  25           2HB      PHE  25  -7.081  -3.588   7.929
  329    HB3  PHE  25           3HB      PHE  25  -5.867  -3.379   9.171
  330    HD1  PHE  25           HD1      PHE  25  -7.102  -1.897   5.947
  331    HD2  PHE  25           HD2      PHE  25  -4.888  -1.255   9.601
  332    HE1  PHE  25           HE1      PHE  25  -7.031   0.538   5.481
  333    HE2  PHE  25           HE2      PHE  25  -4.858   1.181   9.146
  334    HZ   PHE  25           HZ       PHE  25  -5.939   2.086   7.096
  335    H    TYR  26           H        TYR  26  -4.133  -3.110   5.113
  336    HA   TYR  26           HA       TYR  26  -6.206  -4.127   3.296
  337    HB2  TYR  26           2HB      TYR  26  -5.363  -1.954   2.831
  338    HB3  TYR  26           3HB      TYR  26  -3.693  -2.500   2.901
  339    HD1  TYR  26           HD1      TYR  26  -6.875  -3.240   0.972
  340    HD2  TYR  26           HD2      TYR  26  -2.581  -2.994   0.922
  341    HE1  TYR  26           HE1      TYR  26  -6.863  -3.797  -1.457
  342    HE2  TYR  26           HE2      TYR  26  -2.554  -3.465  -1.494
  343    HH   TYR  26           HH       TYR  26  -3.813  -3.983  -3.350
  344    H    THR  27           H        THR  27  -6.090  -6.358   3.560
  345    HA   THR  27           HA       THR  27  -3.736  -7.715   2.282
  346    HB   THR  27           HB       THR  27  -4.435  -9.731   3.605
  347    HG1  THR  27           HG1      THR  27  -5.610  -7.780   5.309
  348   HG21  THR  27          1HG2      THR  27  -3.337  -7.281   5.076
  349   HG22  THR  27          2HG2      THR  27  -3.163  -8.973   5.592
  350   HG23  THR  27          3HG2      THR  27  -2.406  -8.417   4.092
  351    HA   PRO  28           HA       PRO  28  -7.330  -8.139  -0.511
  352    HB2  PRO  28           2HB      PRO  28  -6.015  -8.077  -2.899
  353    HB3  PRO  28           3HB      PRO  28  -6.323  -6.604  -1.926
  354    HG2  PRO  28           2HG      PRO  28  -3.802  -8.302  -1.984
  355    HG3  PRO  28           3HG      PRO  28  -3.933  -6.525  -2.173
  356    HD2  PRO  28           2HD      PRO  28  -3.344  -7.658   0.214
  357    HD3  PRO  28           3HD      PRO  28  -4.413  -6.224   0.124
  358    H    LYS  29           H        LYS  29  -8.009  -9.779  -2.036
  359    HA   LYS  29           HA       LYS  29  -6.382 -12.162  -2.472
  360    HB2  LYS  29           2HB      LYS  29  -7.219 -12.602  -0.212
  361    HB3  LYS  29           3HB      LYS  29  -8.863 -12.214  -0.707
  362    HG2  LYS  29           2HG      LYS  29  -8.624 -14.600  -0.478
  363    HG3  LYS  29           3HG      LYS  29  -8.931 -14.197  -2.156
  364    HD2  LYS  29           2HD      LYS  29  -6.383 -14.435  -2.556
  365    HD3  LYS  29           3HD      LYS  29  -6.277 -14.992  -0.886
  366    HE2  LYS  29           2HE      LYS  29  -6.372 -16.958  -2.211
  367    HE3  LYS  29           3HE      LYS  29  -7.969 -16.801  -1.472
  368    HZ1  LYS  29           HZ1      LYS  29  -8.149 -17.334  -3.826
  369    HZ2  LYS  29           HZ2      LYS  29  -8.739 -15.818  -3.619
  370    HZ3  LYS  29           HZ3      LYS  29  -7.268 -16.026  -4.264
  371    H    THR  30           H        THR  30  -6.932 -13.234  -4.267
  372    HA   THR  30           HA       THR  30  -8.772 -12.206  -6.208
  373    HB   THR  30           HB       THR  30  -8.167 -14.392  -7.402
  374    HG1  THR  30           HG1      THR  30  -6.336 -15.422  -6.509
  375   HG21  THR  30          1HG2      THR  30  -5.896 -12.570  -6.481
  376   HG22  THR  30          2HG2      THR  30  -5.901 -13.609  -7.925
  377   HG23  THR  30          3HG2      THR  30  -7.016 -12.238  -7.821
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  -9.956   5.355  -0.729
    2    H2   GLY   1           2H       GLY   1  -8.894   5.876   0.398
    3    H3   GLY   1           3H       GLY   1 -10.397   5.382   0.850
    4    HA2  GLY   1           HA2      GLY   1  -8.824   3.673   1.409
    5    HA3  GLY   1           HA3      GLY   1  -9.918   3.118   0.127
    6    H    ILE   2           H        ILE   2  -7.142   2.286   0.799
    7    HA   ILE   2           HA       ILE   2  -5.115   3.545  -0.544
    8    HB   ILE   2           HB       ILE   2  -4.910   1.761   1.138
    9   HG12  ILE   2          2HG1      ILE   2  -3.185   1.325  -1.331
   10   HG13  ILE   2          3HG1      ILE   2  -2.977   2.597  -0.126
   11   HG21  ILE   2          1HG2      ILE   2  -4.952  -0.568   0.666
   12   HG22  ILE   2          2HG2      ILE   2  -6.474   0.078   0.072
   13   HG23  ILE   2          3HG2      ILE   2  -5.162  -0.310  -1.071
   14   HD11  ILE   2          3HD1      ILE   2  -2.615  -0.395   0.259
   15   HD12  ILE   2          1HD1      ILE   2  -1.432   0.903   0.495
   16   HD13  ILE   2          2HD1      ILE   2  -2.773   0.722   1.629
   17    H    VAL   3           H        VAL   3  -6.976   0.901  -2.085
   18    HA   VAL   3           HA       VAL   3  -5.429   0.996  -4.485
   19    HB   VAL   3           HB       VAL   3  -6.767  -0.928  -3.666
   20   HG11  VAL   3          1HG1      VAL   3  -9.108  -1.190  -4.228
   21   HG12  VAL   3          2HG1      VAL   3  -8.913   0.224  -3.184
   22   HG13  VAL   3          3HG1      VAL   3  -9.174   0.438  -4.929
   23   HG21  VAL   3          3HG2      VAL   3  -7.285  -0.197  -6.575
   24   HG22  VAL   3          1HG2      VAL   3  -5.785  -0.897  -5.923
   25   HG23  VAL   3          2HG2      VAL   3  -7.293  -1.823  -5.868
   26    H    GLU   4           H        GLU   4  -8.136   2.963  -3.468
   27    HA   GLU   4           HA       GLU   4  -8.706   4.020  -6.164
   28    HB2  GLU   4           2HB      GLU   4  -9.732   4.798  -3.406
   29    HB3  GLU   4           3HB      GLU   4 -10.289   5.504  -4.915
   30    HG2  GLU   4           2HG      GLU   4 -10.560   2.554  -4.196
   31    HG3  GLU   4           3HG      GLU   4 -11.813   3.769  -4.001
   32    H    GLN   5           H        GLN   5  -6.228   4.526  -3.976
   33    HA   GLN   5           HA       GLN   5  -5.773   7.372  -4.852
   34    HB2  GLN   5           2HB      GLN   5  -5.029   5.864  -2.300
   35    HB3  GLN   5           3HB      GLN   5  -4.351   7.438  -2.732
   36    HG2  GLN   5           2HG      GLN   5  -6.466   8.533  -2.568
   37    HG3  GLN   5           3HG      GLN   5  -7.360   7.013  -2.547
   38   HE21  GLN   5          2HE2      GLN   5  -4.689   8.548  -0.513
   39   HE22  GLN   5          1HE2      GLN   5  -5.463   8.022   0.969
   40    H    CYS   6           H        CYS   6  -4.105   4.274  -4.041
   41    HA   CYS   6           HA       CYS   6  -1.629   5.231  -5.300
   42    HB2  CYS   6           2HB      CYS   6  -2.440   2.769  -3.722
   43    HB3  CYS   6           3HB      CYS   6  -0.853   2.975  -4.455
   44    H    CYS   7           H        CYS   7  -4.197   2.940  -6.224
   45    HA   CYS   7           HA       CYS   7  -2.601   1.880  -8.462
   46    HB2  CYS   7           2HB      CYS   7  -4.654   0.827  -7.151
   47    HB3  CYS   7           3HB      CYS   7  -5.599   1.719  -8.339
   48    H    THR   8           H        THR   8  -4.513   4.686  -7.887
   49    HA   THR   8           HA       THR   8  -4.990   5.333 -10.745
   50    HB   THR   8           HB       THR   8  -6.445   7.117  -9.721
   51    HG1  THR   8           HG1      THR   8  -6.850   6.776  -7.439
   52   HG21  THR   8          1HG2      THR   8  -8.222   5.616  -8.978
   53   HG22  THR   8          2HG2      THR   8  -7.387   4.887 -10.359
   54   HG23  THR   8          3HG2      THR   8  -7.066   4.295  -8.714
   55    H    SER   9           H        SER   9  -3.218   6.573  -7.906
   56    HA   SER   9           HA       SER   9  -1.720   8.420  -9.699
   57    HB2  SER   9           2HB      SER   9  -3.625   9.559  -8.397
   58    HB3  SER   9           3HB      SER   9  -2.675   9.229  -6.939
   59    HG   SER   9           HG       SER   9  -2.257  11.327  -7.909
   60    H    ILE  10           H        ILE  10   0.116   9.473  -8.157
   61    HA   ILE  10           HA       ILE  10   1.922   7.270  -7.650
   62    HB   ILE  10           HB       ILE  10   2.156  10.237  -7.041
   63   HG12  ILE  10          2HG1      ILE  10   2.131   9.656  -9.456
   64   HG13  ILE  10          3HG1      ILE  10   3.645  10.364  -8.923
   65   HG21  ILE  10          1HG2      ILE  10   4.628   9.771  -6.751
   66   HG22  ILE  10          2HG2      ILE  10   3.603   9.195  -5.440
   67   HG23  ILE  10          3HG2      ILE  10   4.229   8.041  -6.627
   68   HD11  ILE  10          3HD1      ILE  10   4.717   8.121  -8.902
   69   HD12  ILE  10          1HD1      ILE  10   3.183   7.395  -9.449
   70   HD13  ILE  10          2HD1      ILE  10   4.049   8.532 -10.491
   71    H    CYS  11           H        CYS  11   2.253   6.077  -6.005
   72    HA   CYS  11           HA       CYS  11   1.042   6.650  -3.360
   73    HB2  CYS  11           2HB      CYS  11   0.799   4.492  -4.826
   74    HB3  CYS  11           3HB      CYS  11   2.427   4.135  -4.289
   75    H    SER  12           H        SER  12   2.295   6.857  -1.518
   76    HA   SER  12           HA       SER  12   5.245   6.631  -1.581
   77    HB2  SER  12           2HB      SER  12   3.753   9.244  -1.156
   78    HB3  SER  12           3HB      SER  12   5.473   9.003  -0.820
   79    HG   SER  12           HG       SER  12   5.012   9.969  -2.901
   80    H    LEU  13           H        LEU  13   6.186   7.142   0.565
   81    HA   LEU  13           HA       LEU  13   5.168   5.556   2.542
   82    HB2  LEU  13           2HB      LEU  13   6.861   6.515   3.988
   83    HB3  LEU  13           3HB      LEU  13   7.454   6.254   2.355
   84    HG   LEU  13           HG       LEU  13   6.747   8.905   2.178
   85   HD11  LEU  13          1HD1      LEU  13   7.838   8.549   5.009
   86   HD12  LEU  13          2HD1      LEU  13   7.498  10.082   4.179
   87   HD13  LEU  13          3HD1      LEU  13   6.171   9.009   4.642
   88   HD21  LEU  13          3HD2      LEU  13   8.892   7.936   1.488
   89   HD22  LEU  13          1HD2      LEU  13   9.144   9.397   2.452
   90   HD23  LEU  13          2HD2      LEU  13   9.398   7.798   3.186
   91    H    TYR  14           H        TYR  14   4.600   9.078   2.423
   92    HA   TYR  14           HA       TYR  14   3.283   9.156   4.988
   93    HB2  TYR  14           2HB      TYR  14   2.600  11.466   4.135
   94    HB3  TYR  14           3HB      TYR  14   4.327  11.135   4.253
   95    HD1  TYR  14           HD1      TYR  14   1.469  11.388   1.868
   96    HD2  TYR  14           HD2      TYR  14   5.749  11.228   2.324
   97    HE1  TYR  14           HE1      TYR  14   1.733  11.805  -0.566
   98    HE2  TYR  14           HE2      TYR  14   6.035  11.734  -0.082
   99    HH   TYR  14           HH       TYR  14   4.977  12.233  -2.078
  100    H    GLN  15           H        GLN  15   2.131   8.314   1.849
  101    HA   GLN  15           HA       GLN  15  -0.766   8.575   2.569
  102    HB2  GLN  15           2HB      GLN  15   0.835   7.819   0.096
  103    HB3  GLN  15           3HB      GLN  15  -0.856   7.360   0.217
  104    HG2  GLN  15           2HG      GLN  15   0.082  10.234   0.458
  105    HG3  GLN  15           3HG      GLN  15  -0.367   9.477  -1.062
  106   HE21  GLN  15          2HE2      GLN  15  -1.640  10.959   1.870
  107   HE22  GLN  15          1HE2      GLN  15  -3.323  10.749   1.425
  108    H    LEU  16           H        LEU  16   1.710   6.043   1.859
  109    HA   LEU  16           HA       LEU  16   0.126   3.784   2.425
  110    HB2  LEU  16           2HB      LEU  16   3.072   4.450   2.555
  111    HB3  LEU  16           3HB      LEU  16   2.521   2.824   2.911
  112    HG   LEU  16           HG       LEU  16   1.988   4.253   0.269
  113   HD11  LEU  16          1HD1      LEU  16   4.094   2.166   0.999
  114   HD12  LEU  16          2HD1      LEU  16   3.764   2.782  -0.636
  115   HD13  LEU  16          3HD1      LEU  16   4.391   3.878   0.601
  116   HD21  LEU  16          3HD2      LEU  16   1.478   1.940  -0.523
  117   HD22  LEU  16          1HD2      LEU  16   1.692   1.344   1.125
  118   HD23  LEU  16          2HD2      LEU  16   0.358   2.464   0.746
  119    H    GLU  17           H        GLU  17   2.009   5.794   4.695
  120    HA   GLU  17           HA       GLU  17   1.920   4.104   6.903
  121    HB2  GLU  17           2HB      GLU  17   3.200   6.248   6.625
  122    HB3  GLU  17           3HB      GLU  17   1.725   7.143   7.003
  123    HG2  GLU  17           2HG      GLU  17   1.651   6.083   9.232
  124    HG3  GLU  17           3HG      GLU  17   3.029   5.059   8.817
  125    H    ASN  18           H        ASN  18  -0.698   6.055   5.624
  126    HA   ASN  18           HA       ASN  18  -2.433   6.079   7.900
  127    HB2  ASN  18           2HB      ASN  18  -3.059   6.107   4.913
  128    HB3  ASN  18           3HB      ASN  18  -4.227   6.441   6.163
  129   HD21  ASN  18          2HD2      ASN  18  -1.695   7.746   4.290
  130   HD22  ASN  18          1HD2      ASN  18  -1.613   9.338   5.048
  131    H    TYR  19           H        TYR  19  -1.556   3.431   5.842
  132    HA   TYR  19           HA       TYR  19  -3.836   1.794   6.846
  133    HB2  TYR  19           2HB      TYR  19  -2.001   1.003   4.603
  134    HB3  TYR  19           3HB      TYR  19  -3.621   0.426   4.953
  135    HD1  TYR  19           HD1      TYR  19  -5.592   2.135   4.649
  136    HD2  TYR  19           HD2      TYR  19  -1.619   2.799   3.148
  137    HE1  TYR  19           HE1      TYR  19  -6.451   3.948   3.178
  138    HE2  TYR  19           HE2      TYR  19  -2.448   4.598   1.668
  139    HH   TYR  19           HH       TYR  19  -5.922   5.542   1.593
  140    H    CYS  20           H        CYS  20  -0.929   2.546   7.953
  141    HA   CYS  20           HA       CYS  20   0.277  -0.063   8.439
  142    HB2  CYS  20           2HB      CYS  20   1.621   1.952   8.348
  143    HB3  CYS  20           3HB      CYS  20   0.734   2.650   9.698
  144    H    ASN  21           H        ASN  21   0.228  -1.300  10.316
  145    HA   ASN  21           HA       ASN  21  -2.227  -1.332  11.813
  146    HB2  ASN  21           2HB      ASN  21  -1.255  -3.245  12.981
  147    HB3  ASN  21           3HB      ASN  21  -1.053  -3.378  11.245
  148   HD21  ASN  21          1HD2      ASN  21   1.034  -3.857  10.509
  149   HD22  ASN  21          2HD2      ASN  21   2.482  -3.610  11.479
  150    H1   PHE   1           H        PHE   1  11.783   1.132  -1.422
  151    HA   PHE   1           HA       PHE   1  11.073   0.366  -4.097
  152    HB2  PHE   1           2HB      PHE   1   8.712   0.619  -4.064
  153    HB3  PHE   1           3HB      PHE   1   9.150  -0.573  -2.859
  154    HD1  PHE   1           HD2      PHE   1   9.085   0.006  -0.440
  155    HD2  PHE   1           HD1      PHE   1   7.691   2.725  -3.453
  156    HE1  PHE   1           HE2      PHE   1   7.894   1.319   1.313
  157    HE2  PHE   1           HE1      PHE   1   6.488   4.050  -1.715
  158    HZ   PHE   1           HZ       PHE   1   6.610   3.352   0.673
  159    H    VAL   2           H        VAL   2  10.006   2.186  -5.291
  160    HA   VAL   2           HA       VAL   2  10.725   4.918  -4.283
  161    HB   VAL   2           HB       VAL   2  11.002   3.914  -7.146
  162   HG11  VAL   2          1HG1      VAL   2  10.485   6.299  -7.150
  163   HG12  VAL   2          2HG1      VAL   2  11.710   6.609  -5.897
  164   HG13  VAL   2          3HG1      VAL   2  12.191   6.095  -7.527
  165   HG21  VAL   2          3HG2      VAL   2  13.179   4.567  -5.102
  166   HG22  VAL   2          1HG2      VAL   2  12.819   2.962  -5.776
  167   HG23  VAL   2          2HG2      VAL   2  13.461   4.226  -6.823
  168    H    ASN   3           H        ASN   3   9.261   6.544  -4.836
  169    HA   ASN   3           HA       ASN   3   6.553   6.001  -4.941
  170    HB2  ASN   3           2HB      ASN   3   6.185   8.299  -5.266
  171    HB3  ASN   3           3HB      ASN   3   7.602   8.134  -4.258
  172   HD21  ASN   3          2HD2      ASN   3   9.706   8.800  -5.145
  173   HD22  ASN   3          1HD2      ASN   3   9.773   9.733  -6.626
  174    H    GLN   4           H        GLN   4   5.052   5.476  -6.300
  175    HA   GLN   4           HA       GLN   4   5.012   5.794  -9.147
  176    HB2  GLN   4           2HB      GLN   4   5.444   3.557  -9.882
  177    HB3  GLN   4           3HB      GLN   4   6.853   4.105  -8.996
  178    HG2  GLN   4           2HG      GLN   4   5.908   2.847  -6.957
  179    HG3  GLN   4           3HG      GLN   4   4.709   2.154  -8.055
  180   HE21  GLN   4          2HE2      GLN   4   8.205   2.383  -7.373
  181   HE22  GLN   4          1HE2      GLN   4   8.640   0.935  -8.290
  182    H    HIS   5           H        HIS   5   3.235   4.200 -10.049
  183    HA   HIS   5           HA       HIS   5   0.875   4.529  -8.386
  184    HB2  HIS   5           2HB      HIS   5   1.200   3.277 -11.137
  185    HB3  HIS   5           3HB      HIS   5  -0.311   3.784 -10.381
  186    HD2  HIS   5           HD2      HIS   5   2.703   5.140 -12.285
  187    HE1  HIS   5           HE1      HIS   5   0.150   8.473 -11.604
  188    HE2  HIS   5           HE2      HIS   5   2.229   7.666 -12.833
  189    H    LEU   6           H        LEU   6   2.124   2.992  -6.777
  190    HA   LEU   6           HA       LEU   6   2.326   0.201  -7.070
  191    HB2  LEU   6           2HB      LEU   6   1.593   1.813  -4.590
  192    HB3  LEU   6           3HB      LEU   6   2.061   0.120  -4.571
  193    HG   LEU   6           HG       LEU   6   3.904   2.387  -5.431
  194   HD11  LEU   6          1HD1      LEU   6   3.629   0.812  -2.856
  195   HD12  LEU   6          2HD1      LEU   6   5.018   1.856  -3.244
  196   HD13  LEU   6          3HD1      LEU   6   3.405   2.553  -3.062
  197   HD21  LEU   6          3HD2      LEU   6   5.673   0.668  -5.260
  198   HD22  LEU   6          1HD2      LEU   6   4.449  -0.555  -4.862
  199   HD23  LEU   6          2HD2      LEU   6   4.483   0.188  -6.478
  200    H    CYS   7           H        CYS   7   0.977  -1.512  -7.079
  201    HA   CYS   7           HA       CYS   7  -1.752  -1.366  -6.025
  202    HB2  CYS   7           2HB      CYS   7  -1.743  -0.183  -8.268
  203    HB3  CYS   7           3HB      CYS   7  -1.389  -1.732  -9.018
  204    H    GLY   8           H        GLY   8  -2.845  -3.406  -5.987
  205    HA2  GLY   8           HA2      GLY   8  -2.976  -5.712  -5.738
  206    HA3  GLY   8           HA3      GLY   8  -1.711  -5.855  -6.973
  207    H    SER   9           H        SER   9  -0.192  -7.165  -6.169
  208    HA   SER   9           HA       SER   9   0.454  -7.492  -3.385
  209    HB2  SER   9           2HB      SER   9   0.799  -9.149  -5.259
  210    HB3  SER   9           3HB      SER   9   2.193  -8.182  -5.778
  211    HG   SER   9           HG       SER   9   2.778  -9.925  -4.364
  212    H    HIS  10           H        HIS  10   1.838  -5.323  -5.875
  213    HA   HIS  10           HA       HIS  10   4.250  -4.651  -4.661
  214    HB2  HIS  10           2HB      HIS  10   2.889  -3.897  -6.935
  215    HB3  HIS  10           3HB      HIS  10   2.789  -2.416  -5.988
  216    HD2  HIS  10           HD2      HIS  10   5.825  -2.736  -4.678
  217    HE1  HIS  10           HE1      HIS  10   7.052  -2.286  -8.725
  218    HE2  HIS  10           HE2      HIS  10   7.817  -2.179  -6.296
  219    H    LEU  11           H        LEU  11   1.027  -3.435  -3.894
  220    HA   LEU  11           HA       LEU  11   1.812  -1.366  -2.008
  221    HB2  LEU  11           2HB      LEU  11  -0.693  -3.013  -2.488
  222    HB3  LEU  11           3HB      LEU  11  -0.596  -1.877  -1.145
  223    HG   LEU  11           HG       LEU  11  -0.275  -1.117  -4.065
  224   HD11  LEU  11          1HD1      LEU  11  -2.521  -1.949  -3.603
  225   HD12  LEU  11          2HD1      LEU  11  -2.633  -0.959  -2.140
  226   HD13  LEU  11          3HD1      LEU  11  -2.593  -0.180  -3.745
  227   HD21  LEU  11          3HD2      LEU  11  -0.598   0.581  -1.550
  228   HD22  LEU  11          1HD2      LEU  11   0.861   0.478  -2.542
  229   HD23  LEU  11          2HD2      LEU  11  -0.608   1.186  -3.210
  230    H    VAL  12           H        VAL  12   1.424  -4.893  -1.690
  231    HA   VAL  12           HA       VAL  12   1.108  -4.779   1.183
  232    HB   VAL  12           HB       VAL  12   1.964  -7.112  -0.612
  233   HG11  VAL  12          1HG1      VAL  12   1.300  -8.639   1.169
  234   HG12  VAL  12          2HG1      VAL  12   2.617  -7.603   1.713
  235   HG13  VAL  12          3HG1      VAL  12   0.955  -7.284   2.251
  236   HG21  VAL  12          3HG2      VAL  12  -0.286  -6.311  -1.193
  237   HG22  VAL  12          1HG2      VAL  12  -0.362  -7.889  -0.410
  238   HG23  VAL  12          2HG2      VAL  12  -0.781  -6.427   0.513
  239    H    GLU  13           H        GLU  13   3.832  -5.475  -1.028
  240    HA   GLU  13           HA       GLU  13   5.808  -5.729   1.059
  241    HB2  GLU  13           2HB      GLU  13   7.464  -5.588  -0.735
  242    HB3  GLU  13           3HB      GLU  13   6.213  -6.791  -1.024
  243    HG2  GLU  13           2HG      GLU  13   5.111  -5.320  -2.663
  244    HG3  GLU  13           3HG      GLU  13   6.295  -4.043  -2.339
  245    H    ALA  14           H        ALA  14   4.682  -2.881  -0.839
  246    HA   ALA  14           HA       ALA  14   6.612  -1.046   0.228
  247    HB1  ALA  14           3HB      ALA  14   3.761  -0.546  -0.745
  248    HB2  ALA  14           1HB      ALA  14   5.063   0.648  -0.615
  249    HB3  ALA  14           2HB      ALA  14   5.192  -0.655  -1.803
  250    H    LEU  15           H        LEU  15   3.261  -1.860   1.293
  251    HA   LEU  15           HA       LEU  15   3.220  -0.203   3.590
  252    HB2  LEU  15           2HB      LEU  15   1.781  -2.768   2.853
  253    HB3  LEU  15           3HB      LEU  15   1.551  -1.982   4.429
  254    HG   LEU  15           HG       LEU  15   0.936  -0.698   1.777
  255   HD11  LEU  15          1HD1      LEU  15  -1.410  -1.106   2.392
  256   HD12  LEU  15          2HD1      LEU  15  -0.509  -2.629   2.329
  257   HD13  LEU  15          3HD1      LEU  15  -0.901  -1.889   3.897
  258   HD21  LEU  15          3HD2      LEU  15   1.466   0.961   3.572
  259   HD22  LEU  15          1HD2      LEU  15  -0.233   0.989   3.119
  260   HD23  LEU  15          2HD2      LEU  15   0.274   0.185   4.627
  261    H    TYR  16           H        TYR  16   4.389  -3.569   3.258
  262    HA   TYR  16           HA       TYR  16   5.117  -3.906   6.002
  263    HB2  TYR  16           2HB      TYR  16   4.988  -5.811   4.593
  264    HB3  TYR  16           3HB      TYR  16   6.076  -5.113   3.399
  265    HD1  TYR  16           HD1      TYR  16   5.992  -6.297   6.968
  266    HD2  TYR  16           HD2      TYR  16   8.379  -5.512   3.464
  267    HE1  TYR  16           HE1      TYR  16   7.992  -7.258   8.110
  268    HE2  TYR  16           HE2      TYR  16  10.382  -6.413   4.606
  269    HH   TYR  16           HH       TYR  16  11.216  -7.391   6.529
  270    H    LEU  17           H        LEU  17   7.010  -2.495   3.269
  271    HA   LEU  17           HA       LEU  17   9.363  -1.996   4.870
  272    HB2  LEU  17           2HB      LEU  17   8.436  -1.477   2.111
  273    HB3  LEU  17           3HB      LEU  17   9.363  -0.136   2.766
  274    HG   LEU  17           HG       LEU  17  11.234  -1.636   3.311
  275   HD11  LEU  17          1HD1      LEU  17  11.291  -3.945   2.377
  276   HD12  LEU  17          2HD1      LEU  17  10.083  -3.776   3.653
  277   HD13  LEU  17          3HD1      LEU  17   9.573  -3.806   1.949
  278   HD21  LEU  17          3HD2      LEU  17  11.975  -2.018   0.999
  279   HD22  LEU  17          1HD2      LEU  17  10.304  -1.871   0.415
  280   HD23  LEU  17          2HD2      LEU  17  11.132  -0.466   1.127
  281    H    VAL  18           H        VAL  18   6.593   0.115   4.056
  282    HA   VAL  18           HA       VAL  18   7.597   2.430   5.460
  283    HB   VAL  18           HB       VAL  18   4.758   1.622   4.712
  284   HG11  VAL  18          1HG1      VAL  18   4.534   3.232   6.557
  285   HG12  VAL  18          2HG1      VAL  18   5.717   4.316   5.788
  286   HG13  VAL  18          3HG1      VAL  18   4.140   4.015   5.031
  287   HG21  VAL  18          3HG2      VAL  18   6.309   2.049   2.841
  288   HG22  VAL  18          1HG2      VAL  18   5.066   3.290   2.942
  289   HG23  VAL  18          2HG2      VAL  18   6.712   3.638   3.518
  290    H    CYS  19           H        CYS  19   5.184  -0.014   6.432
  291    HA   CYS  19           HA       CYS  19   4.784   1.080   9.069
  292    HB2  CYS  19           2HB      CYS  19   3.189  -0.258   7.589
  293    HB3  CYS  19           3HB      CYS  19   4.080  -1.697   8.057
  294    H    GLY  20           H        GLY  20   7.009  -1.358   7.873
  295    HA2  GLY  20           HA2      GLY  20   9.036  -1.950   8.754
  296    HA3  GLY  20           HA3      GLY  20   8.659  -1.022  10.222
  297    H    GLU  21           H        GLU  21   6.385  -2.408  11.121
  298    HA   GLU  21           HA       GLU  21   7.344  -5.184  11.669
  299    HB2  GLU  21           2HB      GLU  21   6.644  -3.025  13.700
  300    HB3  GLU  21           3HB      GLU  21   6.724  -4.729  14.108
  301    HG2  GLU  21           2HG      GLU  21   9.041  -3.057  13.057
  302    HG3  GLU  21           3HG      GLU  21   8.765  -3.507  14.734
  303    H    ARG  22           H        ARG  22   5.853  -6.646  12.225
  304    HA   ARG  22           HA       ARG  22   3.919  -7.785  12.330
  305    HB2  ARG  22           2HB      ARG  22   2.603  -5.186  13.203
  306    HB3  ARG  22           3HB      ARG  22   1.973  -6.806  13.435
  307    HG2  ARG  22           2HG      ARG  22   4.470  -5.652  14.739
  308    HG3  ARG  22           3HG      ARG  22   2.900  -5.919  15.494
  309    HD2  ARG  22           2HD      ARG  22   3.133  -8.368  15.102
  310    HD3  ARG  22           3HD      ARG  22   4.750  -8.088  14.418
  311    HE   ARG  22           HE       ARG  22   4.649  -6.863  16.969
  312   HH11  ARG  22          1HH1      ARG  22   4.648 -10.152  15.662
  313   HH12  ARG  22          2HH1      ARG  22   5.375 -10.818  17.092
  314   HH21  ARG  22          1HH2      ARG  22   5.584  -7.788  18.785
  315   HH22  ARG  22          2HH2      ARG  22   5.896  -9.497  18.835
  316    H    GLY  23           H        GLY  23   1.460  -7.764  11.605
  317    HA2  GLY  23           HA2      GLY  23   1.512  -7.326   8.683
  318    HA3  GLY  23           HA3      GLY  23   0.286  -8.208   9.614
  319    H    HIS  24           H        HIS  24   0.864  -5.483   7.849
  320    HA   HIS  24           HA       HIS  24  -1.123  -3.658   8.959
  321    HB2  HIS  24           2HB      HIS  24  -0.926  -2.593   6.737
  322    HB3  HIS  24           3HB      HIS  24   0.635  -2.838   7.514
  323    HD2  HIS  24           HD2      HIS  24   2.443  -3.979   6.036
  324    HE1  HIS  24           HE1      HIS  24  -0.031  -5.538   2.971
  325    HE2  HIS  24           HE2      HIS  24   2.373  -5.257   3.751
  326    H    PHE  25           H        PHE  25  -3.193  -3.155   7.818
  327    HA   PHE  25           HA       PHE  25  -4.683  -5.658   7.771
  328    HB2  PHE  25           2HB      PHE  25  -6.650  -4.250   7.961
  329    HB3  PHE  25           3HB      PHE  25  -5.438  -3.882   9.165
  330    HD1  PHE  25           HD2      PHE  25  -6.843  -2.683   5.886
  331    HD2  PHE  25           HD1      PHE  25  -4.700  -1.648   9.487
  332    HE1  PHE  25           HE2      PHE  25  -7.067  -0.279   5.332
  333    HE2  PHE  25           HE1      PHE  25  -4.959   0.756   8.944
  334    HZ   PHE  25           HZ       PHE  25  -6.173   1.447   6.886
  335    H    TYR  26           H        TYR  26  -3.565  -3.603   5.188
  336    HA   TYR  26           HA       TYR  26  -5.577  -4.605   3.266
  337    HB2  TYR  26           2HB      TYR  26  -4.784  -2.408   2.837
  338    HB3  TYR  26           3HB      TYR  26  -3.104  -2.899   3.000
  339    HD1  TYR  26           HD1      TYR  26  -6.129  -3.247   0.804
  340    HD2  TYR  26           HD2      TYR  26  -1.880  -3.855   1.168
  341    HE1  TYR  26           HE1      TYR  26  -5.986  -3.785  -1.626
  342    HE2  TYR  26           HE2      TYR  26  -1.731  -4.412  -1.209
  343    HH   TYR  26           HH       TYR  26  -2.860  -4.609  -3.203
  344    H    THR  27           H        THR  27  -5.489  -6.781   3.029
  345    HA   THR  27           HA       THR  27  -3.010  -7.886   1.788
  346    HB   THR  27           HB       THR  27  -3.446 -10.064   2.914
  347    HG1  THR  27           HG1      THR  27  -5.561  -9.518   3.657
  348   HG21  THR  27          1HG2      THR  27  -1.615  -8.487   3.615
  349   HG22  THR  27          2HG2      THR  27  -2.717  -7.756   4.791
  350   HG23  THR  27          3HG2      THR  27  -2.251  -9.458   4.953
  351    HA   PRO  28           HA       PRO  28  -6.562  -8.218  -0.956
  352    HB2  PRO  28           2HB      PRO  28  -5.296  -8.280  -3.365
  353    HB3  PRO  28           3HB      PRO  28  -5.379  -6.805  -2.355
  354    HG2  PRO  28           2HG      PRO  28  -3.109  -8.817  -2.521
  355    HG3  PRO  28           3HG      PRO  28  -3.008  -7.032  -2.637
  356    HD2  PRO  28           2HD      PRO  28  -2.553  -8.376  -0.309
  357    HD3  PRO  28           3HD      PRO  28  -3.343  -6.768  -0.321
  358    H    LYS  29           H        LYS  29  -7.584  -9.787  -2.240
  359    HA   LYS  29           HA       LYS  29  -6.393 -12.426  -2.681
  360    HB2  LYS  29           2HB      LYS  29  -7.930 -13.610  -1.171
  361    HB3  LYS  29           3HB      LYS  29  -6.869 -12.516  -0.296
  362    HG2  LYS  29           2HG      LYS  29  -8.700 -10.843  -0.115
  363    HG3  LYS  29           3HG      LYS  29  -9.781 -11.929  -1.010
  364    HD2  LYS  29           2HD      LYS  29  -9.522 -13.645   0.758
  365    HD3  LYS  29           3HD      LYS  29  -8.427 -12.563   1.648
  366    HE2  LYS  29           2HE      LYS  29 -10.245 -10.873   1.823
  367    HE3  LYS  29           3HE      LYS  29 -11.336 -11.948   0.938
  368    HZ1  LYS  29           HZ1      LYS  29 -11.118 -13.553   2.753
  369    HZ2  LYS  29           HZ2      LYS  29 -10.108 -12.559   3.572
  370    HZ3  LYS  29           HZ3      LYS  29 -11.665 -12.127   3.331
  371    H    THR  30           H        THR  30  -7.593 -10.411  -4.308
  372    HA   THR  30           HA       THR  30 -10.223 -11.002  -5.228
  373    HB   THR  30           HB       THR  30  -7.954  -9.792  -6.848
  374    HG1  THR  30           HG1      THR  30  -8.666  -7.844  -5.945
  375   HG21  THR  30          1HG2      THR  30 -10.002 -10.220  -8.168
  376   HG22  THR  30          2HG2      THR  30 -10.985  -9.397  -6.936
  377   HG23  THR  30          3HG2      THR  30  -9.795  -8.487  -7.896
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -12.083   2.681   0.047
    2    H2   GLY   1           2H       GLY   1 -10.963   1.513   0.304
    3    H3   GLY   1           3H       GLY   1 -11.400   1.904  -1.225
    4    HA2  GLY   1           HA2      GLY   1 -10.478   4.128  -0.980
    5    HA3  GLY   1           HA3      GLY   1  -9.965   3.668   0.654
    6    H    ILE   2           H        ILE   2  -7.810   3.838   0.344
    7    HA   ILE   2           HA       ILE   2  -5.735   3.687  -0.564
    8    HB   ILE   2           HB       ILE   2  -6.003   2.194   1.315
    9   HG12  ILE   2          2HG1      ILE   2  -3.921   1.379  -0.744
   10   HG13  ILE   2          3HG1      ILE   2  -3.827   2.729   0.386
   11   HG21  ILE   2          1HG2      ILE   2  -6.187  -0.147   1.234
   12   HG22  ILE   2          2HG2      ILE   2  -7.472   0.434   0.182
   13   HG23  ILE   2          3HG2      ILE   2  -5.962  -0.218  -0.512
   14   HD11  ILE   2          3HD1      ILE   2  -4.022   0.974   2.264
   15   HD12  ILE   2          1HD1      ILE   2  -3.721  -0.238   1.001
   16   HD13  ILE   2          2HD1      ILE   2  -2.510   1.019   1.337
   17    H    VAL   3           H        VAL   3  -7.019   0.723  -2.112
   18    HA   VAL   3           HA       VAL   3  -5.149   0.811  -4.305
   19    HB   VAL   3           HB       VAL   3  -7.909  -0.489  -4.284
   20   HG11  VAL   3          1HG1      VAL   3  -5.404  -1.099  -5.925
   21   HG12  VAL   3          2HG1      VAL   3  -6.886  -2.075  -5.920
   22   HG13  VAL   3          3HG1      VAL   3  -6.933  -0.428  -6.547
   23   HG21  VAL   3          3HG2      VAL   3  -6.711  -2.579  -3.628
   24   HG22  VAL   3          1HG2      VAL   3  -5.237  -1.620  -3.366
   25   HG23  VAL   3          2HG2      VAL   3  -6.686  -1.352  -2.367
   26    H    GLU   4           H        GLU   4  -8.397   2.175  -3.793
   27    HA   GLU   4           HA       GLU   4  -8.869   3.137  -6.451
   28    HB2  GLU   4           2HB      GLU   4  -9.877   4.130  -3.754
   29    HB3  GLU   4           3HB      GLU   4 -10.524   4.639  -5.311
   30    HG2  GLU   4           2HG      GLU   4 -10.579   1.783  -4.236
   31    HG3  GLU   4           3HG      GLU   4 -11.918   2.919  -4.220
   32    H    GLN   5           H        GLN   5  -6.588   4.252  -4.105
   33    HA   GLN   5           HA       GLN   5  -6.215   6.828  -5.580
   34    HB2  GLN   5           2HB      GLN   5  -6.376   6.977  -3.090
   35    HB3  GLN   5           3HB      GLN   5  -5.014   5.871  -2.939
   36    HG2  GLN   5           2HG      GLN   5  -4.217   8.124  -2.639
   37    HG3  GLN   5           3HG      GLN   5  -3.557   7.510  -4.149
   38   HE21  GLN   5          2HE2      GLN   5  -6.245   9.566  -2.825
   39   HE22  GLN   5          1HE2      GLN   5  -6.342  10.575  -4.260
   40    H    CYS   6           H        CYS   6  -4.217   4.124  -4.181
   41    HA   CYS   6           HA       CYS   6  -1.923   4.973  -5.622
   42    HB2  CYS   6           2HB      CYS   6  -2.465   2.250  -4.395
   43    HB3  CYS   6           3HB      CYS   6  -0.894   2.939  -4.790
   44    H    CYS   7           H        CYS   7  -4.425   2.791  -6.693
   45    HA   CYS   7           HA       CYS   7  -2.751   1.859  -8.998
   46    HB2  CYS   7           2HB      CYS   7  -3.630   0.197  -7.328
   47    HB3  CYS   7           3HB      CYS   7  -5.250   0.592  -7.890
   48    H    THR   8           H        THR   8  -4.859   4.005 -11.027
   49    HA   THR   8           HA       THR   8  -2.139   3.613  -9.837
   50    HB   THR   8           HB       THR   8  -1.352   4.432 -12.081
   51    HG1  THR   8           HG1      THR   8  -2.793   4.080 -13.796
   52   HG21  THR   8          1HG2      THR   8  -2.796   1.739 -11.982
   53   HG22  THR   8          2HG2      THR   8  -1.466   2.188 -13.072
   54   HG23  THR   8          3HG2      THR   8  -1.176   2.066 -11.332
   55    H    SER   9           H        SER   9  -1.554   5.167  -8.607
   56    HA   SER   9           HA       SER   9  -1.108   7.754  -9.698
   57    HB2  SER   9           2HB      SER   9  -3.505   8.028  -8.774
   58    HB3  SER   9           3HB      SER   9  -2.760   7.873  -7.169
   59    HG   SER   9           HG       SER   9  -2.902  10.067  -7.863
   60    H    ILE  10           H        ILE  10   0.305   9.038  -8.165
   61    HA   ILE  10           HA       ILE  10   2.310   7.247  -7.115
   62    HB   ILE  10           HB       ILE  10   2.059  10.260  -6.794
   63   HG12  ILE  10          2HG1      ILE  10   2.211   9.662  -9.163
   64   HG13  ILE  10          3HG1      ILE  10   3.662  10.471  -8.605
   65   HG21  ILE  10          1HG2      ILE  10   4.549  10.147  -6.373
   66   HG22  ILE  10          2HG2      ILE  10   3.558   9.464  -5.086
   67   HG23  ILE  10          3HG2      ILE  10   4.390   8.384  -6.213
   68   HD11  ILE  10          3HD1      ILE  10   4.225   8.640 -10.118
   69   HD12  ILE  10          1HD1      ILE  10   4.858   8.292  -8.501
   70   HD13  ILE  10          2HD1      ILE  10   3.384   7.473  -9.087
   71    H    CYS  11           H        CYS  11   2.327   6.193  -5.302
   72    HA   CYS  11           HA       CYS  11   1.220   7.458  -2.823
   73    HB2  CYS  11           2HB      CYS  11   1.162   4.592  -3.760
   74    HB3  CYS  11           3HB      CYS  11   1.154   4.975  -2.034
   75    H    SER  12           H        SER  12   2.330   7.176  -0.906
   76    HA   SER  12           HA       SER  12   5.274   6.770  -1.068
   77    HB2  SER  12           2HB      SER  12   3.880   9.390  -0.397
   78    HB3  SER  12           3HB      SER  12   5.624   9.104  -0.352
   79    HG   SER  12           HG       SER  12   4.662  10.180  -2.295
   80    H    LEU  13           H        LEU  13   6.308   7.038   1.032
   81    HA   LEU  13           HA       LEU  13   5.211   5.475   2.973
   82    HB2  LEU  13           2HB      LEU  13   7.067   6.163   4.383
   83    HB3  LEU  13           3HB      LEU  13   7.545   5.920   2.712
   84    HG   LEU  13           HG       LEU  13   7.137   8.638   2.685
   85   HD11  LEU  13          1HD1      LEU  13   8.317   8.036   5.437
   86   HD12  LEU  13          2HD1      LEU  13   8.106   9.633   4.686
   87   HD13  LEU  13          3HD1      LEU  13   6.694   8.688   5.177
   88   HD21  LEU  13          3HD2      LEU  13   9.123   7.468   1.844
   89   HD22  LEU  13          1HD2      LEU  13   9.586   8.847   2.853
   90   HD23  LEU  13          2HD2      LEU  13   9.690   7.196   3.507
   91    H    TYR  14           H        TYR  14   5.025   9.048   3.118
   92    HA   TYR  14           HA       TYR  14   3.848   9.067   5.743
   93    HB2  TYR  14           2HB      TYR  14   3.310  11.475   5.073
   94    HB3  TYR  14           3HB      TYR  14   5.007  11.001   5.050
   95    HD1  TYR  14           HD1      TYR  14   2.049  11.730   2.920
   96    HD2  TYR  14           HD2      TYR  14   6.295  11.010   3.009
   97    HE1  TYR  14           HE1      TYR  14   2.177  12.251   0.495
   98    HE2  TYR  14           HE2      TYR  14   6.451  11.584   0.601
   99    HH   TYR  14           HH       TYR  14   3.565  12.531  -1.331
  100    H    GLN  15           H        GLN  15   2.432   8.536   2.634
  101    HA   GLN  15           HA       GLN  15  -0.367   8.928   3.631
  102    HB2  GLN  15           2HB      GLN  15   0.921   8.377   0.930
  103    HB3  GLN  15           3HB      GLN  15  -0.790   8.053   1.183
  104    HG2  GLN  15           2HG      GLN  15   0.521  10.762   1.574
  105    HG3  GLN  15           3HG      GLN  15  -0.377  10.258   0.150
  106   HE21  GLN  15          2HE2      GLN  15  -2.761   9.780   0.436
  107   HE22  GLN  15          1HE2      GLN  15  -3.595  10.582   1.756
  108    H    LEU  16           H        LEU  16   1.838   6.326   2.472
  109    HA   LEU  16           HA       LEU  16   0.034   4.175   2.890
  110    HB2  LEU  16           2HB      LEU  16   3.036   4.485   2.730
  111    HB3  LEU  16           3HB      LEU  16   2.319   2.904   2.952
  112    HG   LEU  16           HG       LEU  16   1.817   4.746   0.571
  113   HD11  LEU  16          1HD1      LEU  16   3.505   2.223   0.916
  114   HD12  LEU  16          2HD1      LEU  16   3.175   3.023  -0.642
  115   HD13  LEU  16          3HD1      LEU  16   4.090   3.875   0.610
  116   HD21  LEU  16          3HD2      LEU  16   0.947   1.853   1.003
  117   HD22  LEU  16          1HD2      LEU  16  -0.140   3.261   0.964
  118   HD23  LEU  16          2HD2      LEU  16   0.749   2.791  -0.488
  119    H    GLU  17           H        GLU  17   2.222   5.778   5.192
  120    HA   GLU  17           HA       GLU  17   2.166   3.876   7.248
  121    HB2  GLU  17           2HB      GLU  17   3.554   5.953   7.096
  122    HB3  GLU  17           3HB      GLU  17   2.148   6.907   7.575
  123    HG2  GLU  17           2HG      GLU  17   2.070   5.722   9.732
  124    HG3  GLU  17           3HG      GLU  17   3.361   4.633   9.211
  125    H    ASN  18           H        ASN  18  -0.396   6.070   6.265
  126    HA   ASN  18           HA       ASN  18  -2.005   5.975   8.631
  127    HB2  ASN  18           2HB      ASN  18  -2.778   6.346   5.706
  128    HB3  ASN  18           3HB      ASN  18  -3.861   6.602   7.048
  129   HD21  ASN  18          2HD2      ASN  18  -1.346   7.975   5.188
  130   HD22  ASN  18          1HD2      ASN  18  -1.158   9.477   6.098
  131    H    TYR  19           H        TYR  19  -1.374   3.452   6.349
  132    HA   TYR  19           HA       TYR  19  -3.741   1.902   7.282
  133    HB2  TYR  19           2HB      TYR  19  -1.945   1.196   4.978
  134    HB3  TYR  19           3HB      TYR  19  -3.550   0.581   5.328
  135    HD1  TYR  19           HD2      TYR  19  -5.563   2.184   5.043
  136    HD2  TYR  19           HD1      TYR  19  -1.603   3.133   3.677
  137    HE1  TYR  19           HE2      TYR  19  -6.496   3.956   3.564
  138    HE2  TYR  19           HE1      TYR  19  -2.499   4.906   2.210
  139    HH   TYR  19           HH       TYR  19  -4.411   5.979   1.454
  140    H    CYS  20           H        CYS  20  -0.718   2.380   8.321
  141    HA   CYS  20           HA       CYS  20   0.323  -0.312   8.689
  142    HB2  CYS  20           2HB      CYS  20   1.743   1.675   8.633
  143    HB3  CYS  20           3HB      CYS  20   0.919   2.329  10.043
  144    H    ASN  21           H        ASN  21   0.052  -1.705  10.468
  145    HA   ASN  21           HA       ASN  21  -2.260  -1.495  12.128
  146    HB2  ASN  21           2HB      ASN  21   0.259  -3.208  12.268
  147    HB3  ASN  21           3HB      ASN  21  -1.004  -3.328  13.484
  148   HD21  ASN  21          2HD2      ASN  21  -0.250  -5.459  12.212
  149   HD22  ASN  21          1HD2      ASN  21  -1.609  -5.965  11.233
  150    H1   PHE   1           H        PHE   1  11.568   2.030  -1.065
  151    HA   PHE   1           HA       PHE   1  11.624   1.269  -3.886
  152    HB2  PHE   1           2HB      PHE   1   9.243   1.072  -4.162
  153    HB3  PHE   1           3HB      PHE   1   9.818  -0.109  -3.003
  154    HD1  PHE   1           HD1      PHE   1   9.506   0.351  -0.524
  155    HD2  PHE   1           HD2      PHE   1   7.576   2.669  -3.579
  156    HE1  PHE   1           HE1      PHE   1   7.889   1.219   1.167
  157    HE2  PHE   1           HE2      PHE   1   5.954   3.549  -1.904
  158    HZ   PHE   1           HZ       PHE   1   6.128   2.831   0.471
  159    H    VAL   2           H        VAL   2  11.181   2.945  -5.299
  160    HA   VAL   2           HA       VAL   2  11.210   5.685  -4.262
  161    HB   VAL   2           HB       VAL   2  11.206   6.409  -6.603
  162   HG11  VAL   2          1HG1      VAL   2  13.324   5.871  -5.451
  163   HG12  VAL   2          2HG1      VAL   2  13.244   4.208  -6.073
  164   HG13  VAL   2          3HG1      VAL   2  13.418   5.572  -7.194
  165   HG21  VAL   2          3HG2      VAL   2  11.395   4.822  -8.462
  166   HG22  VAL   2          1HG2      VAL   2  11.127   3.456  -7.365
  167   HG23  VAL   2          2HG2      VAL   2   9.834   4.643  -7.654
  168    H    ASN   3           H        ASN   3   9.681   7.359  -4.916
  169    HA   ASN   3           HA       ASN   3   6.927   6.821  -4.410
  170    HB2  ASN   3           2HB      ASN   3   8.092   9.184  -5.931
  171    HB3  ASN   3           3HB      ASN   3   6.579   9.126  -5.026
  172   HD21  ASN   3          2HD2      ASN   3   6.699   9.055  -2.634
  173   HD22  ASN   3          1HD2      ASN   3   8.179   9.582  -1.841
  174    H    GLN   4           H        GLN   4   5.427   5.828  -5.676
  175    HA   GLN   4           HA       GLN   4   5.427   6.033  -8.597
  176    HB2  GLN   4           2HB      GLN   4   6.020   3.782  -9.094
  177    HB3  GLN   4           3HB      GLN   4   7.310   4.455  -8.114
  178    HG2  GLN   4           2HG      GLN   4   6.203   3.304  -6.089
  179    HG3  GLN   4           3HG      GLN   4   5.150   2.488  -7.243
  180   HE21  GLN   4          2HE2      GLN   4   8.506   2.847  -6.152
  181   HE22  GLN   4          1HE2      GLN   4   9.104   1.393  -6.967
  182    H    HIS   5           H        HIS   5   3.840   4.470  -9.577
  183    HA   HIS   5           HA       HIS   5   1.301   4.424  -8.147
  184    HB2  HIS   5           2HB      HIS   5   1.996   3.076 -10.773
  185    HB3  HIS   5           3HB      HIS   5   0.408   3.567 -10.188
  186    HD2  HIS   5           HD2      HIS   5   3.560   4.900 -11.893
  187    HE1  HIS   5           HE1      HIS   5   0.773   8.116 -11.906
  188    HE2  HIS   5           HE2      HIS   5   3.034   7.323 -12.777
  189    H    LEU   6           H        LEU   6   0.334   2.634  -7.156
  190    HA   LEU   6           HA       LEU   6   1.882   0.063  -7.078
  191    HB2  LEU   6           2HB      LEU   6   0.835   1.642  -4.698
  192    HB3  LEU   6           3HB      LEU   6   1.451  -0.000  -4.619
  193    HG   LEU   6           HG       LEU   6   3.123   2.419  -5.442
  194   HD11  LEU   6          1HD1      LEU   6   2.392   2.577  -3.114
  195   HD12  LEU   6          2HD1      LEU   6   2.867   0.890  -2.834
  196   HD13  LEU   6          3HD1      LEU   6   4.108   2.125  -3.165
  197   HD21  LEU   6          3HD2      LEU   6   5.038   0.881  -5.048
  198   HD22  LEU   6          1HD2      LEU   6   3.902  -0.447  -4.742
  199   HD23  LEU   6          2HD2      LEU   6   4.014   0.282  -6.359
  200    H    CYS   7           H        CYS   7   0.718  -1.681  -7.278
  201    HA   CYS   7           HA       CYS   7  -2.234  -1.672  -6.738
  202    HB2  CYS   7           2HB      CYS   7  -0.755  -2.851  -9.123
  203    HB3  CYS   7           3HB      CYS   7  -2.465  -3.071  -8.793
  204    H    GLY   8           H        GLY   8  -2.932  -3.471  -5.642
  205    HA2  GLY   8           HA2      GLY   8  -2.969  -5.550  -4.620
  206    HA3  GLY   8           HA3      GLY   8  -2.144  -6.080  -6.083
  207    H    SER   9           H        SER   9  -0.432  -7.265  -5.657
  208    HA   SER   9           HA       SER   9   0.904  -7.644  -3.246
  209    HB2  SER   9           2HB      SER   9   2.082  -7.900  -6.036
  210    HB3  SER   9           3HB      SER   9   2.640  -8.716  -4.565
  211    HG   SER   9           HG       SER   9   1.279 -10.073  -5.852
  212    H    HIS  10           H        HIS  10   1.945  -5.368  -5.883
  213    HA   HIS  10           HA       HIS  10   4.300  -4.450  -4.623
  214    HB2  HIS  10           2HB      HIS  10   2.953  -3.916  -6.996
  215    HB3  HIS  10           3HB      HIS  10   2.749  -2.397  -6.115
  216    HD2  HIS  10           HD2      HIS  10   5.609  -2.175  -4.722
  217    HE1  HIS  10           HE1      HIS  10   7.158  -2.304  -8.682
  218    HE2  HIS  10           HE2      HIS  10   7.671  -1.661  -6.273
  219    H    LEU  11           H        LEU  11   0.947  -3.408  -4.190
  220    HA   LEU  11           HA       LEU  11   1.527  -1.149  -2.450
  221    HB2  LEU  11           2HB      LEU  11  -0.569  -1.825  -3.997
  222    HB3  LEU  11           3HB      LEU  11  -1.140  -2.555  -2.513
  223    HG   LEU  11           HG       LEU  11  -0.482   0.370  -3.043
  224   HD11  LEU  11          1HD1      LEU  11  -2.615  -0.507  -3.975
  225   HD12  LEU  11          2HD1      LEU  11  -3.101  -1.025  -2.344
  226   HD13  LEU  11          3HD1      LEU  11  -2.888   0.699  -2.709
  227   HD21  LEU  11          3HD2      LEU  11  -1.368  -0.881  -0.411
  228   HD22  LEU  11          1HD2      LEU  11   0.154  -0.009  -0.733
  229   HD23  LEU  11          2HD2      LEU  11  -1.372   0.862  -0.778
  230    H    VAL  12           H        VAL  12   0.503  -4.541  -1.895
  231    HA   VAL  12           HA       VAL  12   0.535  -4.488   0.970
  232    HB   VAL  12           HB       VAL  12   1.063  -6.720  -1.038
  233   HG11  VAL  12          1HG1      VAL  12   0.820  -7.081   1.973
  234   HG12  VAL  12          2HG1      VAL  12   0.730  -8.378   0.770
  235   HG13  VAL  12          3HG1      VAL  12   2.226  -7.471   0.963
  236   HG21  VAL  12          3HG2      VAL  12  -1.160  -7.504  -0.407
  237   HG22  VAL  12          1HG2      VAL  12  -1.332  -6.167   0.752
  238   HG23  VAL  12          2HG2      VAL  12  -1.238  -5.843  -0.989
  239    H    GLU  13           H        GLU  13   3.184  -5.238  -1.314
  240    HA   GLU  13           HA       GLU  13   5.257  -5.702   0.587
  241    HB2  GLU  13           2HB      GLU  13   5.323  -4.614  -2.256
  242    HB3  GLU  13           3HB      GLU  13   6.764  -5.067  -1.356
  243    HG2  GLU  13           2HG      GLU  13   4.540  -7.095  -1.774
  244    HG3  GLU  13           3HG      GLU  13   5.667  -6.727  -3.062
  245    H    ALA  14           H        ALA  14   4.264  -2.670  -1.090
  246    HA   ALA  14           HA       ALA  14   6.191  -0.948   0.098
  247    HB1  ALA  14           3HB      ALA  14   4.807  -0.391  -1.889
  248    HB2  ALA  14           1HB      ALA  14   3.352  -0.354  -0.857
  249    HB3  ALA  14           2HB      ALA  14   4.642   0.830  -0.618
  250    H    LEU  15           H        LEU  15   2.809  -1.682   1.154
  251    HA   LEU  15           HA       LEU  15   2.854  -0.113   3.511
  252    HB2  LEU  15           2HB      LEU  15   1.354  -2.646   2.739
  253    HB3  LEU  15           3HB      LEU  15   1.154  -1.868   4.322
  254    HG   LEU  15           HG       LEU  15   0.490  -0.607   1.660
  255   HD11  LEU  15          1HD1      LEU  15  -0.950  -2.512   2.448
  256   HD12  LEU  15          2HD1      LEU  15  -1.303  -1.595   3.924
  257   HD13  LEU  15          3HD1      LEU  15  -1.815  -0.973   2.345
  258   HD21  LEU  15          3HD2      LEU  15   0.112   0.396   4.515
  259   HD22  LEU  15          1HD2      LEU  15   1.141   1.121   3.273
  260   HD23  LEU  15          2HD2      LEU  15  -0.606   1.136   3.055
  261    H    TYR  16           H        TYR  16   3.859  -3.516   3.102
  262    HA   TYR  16           HA       TYR  16   4.622  -4.001   5.814
  263    HB2  TYR  16           2HB      TYR  16   4.310  -5.802   4.284
  264    HB3  TYR  16           3HB      TYR  16   5.440  -5.134   3.122
  265    HD1  TYR  16           HD1      TYR  16   5.150  -6.878   6.368
  266    HD2  TYR  16           HD2      TYR  16   7.824  -5.404   3.331
  267    HE1  TYR  16           HE1      TYR  16   7.020  -8.200   7.373
  268    HE2  TYR  16           HE2      TYR  16   9.711  -6.640   4.365
  269    HH   TYR  16           HH       TYR  16   9.261  -8.730   7.264
  270    H    LEU  17           H        LEU  17   6.473  -2.500   3.130
  271    HA   LEU  17           HA       LEU  17   8.940  -2.316   4.691
  272    HB2  LEU  17           2HB      LEU  17   8.008  -1.126   2.059
  273    HB3  LEU  17           3HB      LEU  17   9.598  -0.799   2.742
  274    HG   LEU  17           HG       LEU  17   8.594  -3.595   2.059
  275   HD11  LEU  17          1HD1      LEU  17  10.462  -1.749   0.521
  276   HD12  LEU  17          2HD1      LEU  17  10.057  -3.426   0.091
  277   HD13  LEU  17          3HD1      LEU  17   8.800  -2.179   0.051
  278   HD21  LEU  17          3HD2      LEU  17  11.001  -4.206   2.213
  279   HD22  LEU  17          1HD2      LEU  17  11.367  -2.574   2.810
  280   HD23  LEU  17          2HD2      LEU  17  10.351  -3.680   3.765
  281    H    VAL  18           H        VAL  18   6.344  -0.006   3.883
  282    HA   VAL  18           HA       VAL  18   7.507   2.268   5.216
  283    HB   VAL  18           HB       VAL  18   4.619   1.567   4.551
  284   HG11  VAL  18          1HG1      VAL  18   5.706   4.229   5.582
  285   HG12  VAL  18          2HG1      VAL  18   4.106   3.978   4.855
  286   HG13  VAL  18          3HG1      VAL  18   4.495   3.198   6.383
  287   HG21  VAL  18          3HG2      VAL  18   4.938   3.143   2.733
  288   HG22  VAL  18          1HG2      VAL  18   6.585   3.530   3.294
  289   HG23  VAL  18          2HG2      VAL  18   6.203   1.924   2.663
  290    H    CYS  19           H        CYS  19   4.979  -0.024   6.291
  291    HA   CYS  19           HA       CYS  19   4.753   0.984   8.968
  292    HB2  CYS  19           2HB      CYS  19   3.125  -0.449   7.644
  293    HB3  CYS  19           3HB      CYS  19   4.167  -1.825   7.968
  294    H    GLY  20           H        GLY  20   7.015  -1.298   7.548
  295    HA2  GLY  20           HA2      GLY  20   9.109  -1.954   8.325
  296    HA3  GLY  20           HA3      GLY  20   8.805  -1.103   9.863
  297    H    GLU  21           H        GLU  21   7.825  -3.924   7.980
  298    HA   GLU  21           HA       GLU  21   6.663  -5.741   8.415
  299    HB2  GLU  21           2HB      GLU  21   7.262  -7.310  10.130
  300    HB3  GLU  21           3HB      GLU  21   8.626  -6.738   9.192
  301    HG2  GLU  21           2HG      GLU  21   9.427  -5.370  11.020
  302    HG3  GLU  21           3HG      GLU  21   7.990  -5.732  11.987
  303    H    ARG  22           H        ARG  22   6.052  -6.257  11.584
  304    HA   ARG  22           HA       ARG  22   4.333  -5.962  12.987
  305    HB2  ARG  22           2HB      ARG  22   4.347  -3.146  11.841
  306    HB3  ARG  22           3HB      ARG  22   3.467  -3.629  13.283
  307    HG2  ARG  22           2HG      ARG  22   5.419  -4.056  14.534
  308    HG3  ARG  22           3HG      ARG  22   6.453  -4.156  13.104
  309    HD2  ARG  22           2HD      ARG  22   6.094  -1.789  12.624
  310    HD3  ARG  22           3HD      ARG  22   5.100  -1.613  14.075
  311    HE   ARG  22           HE       ARG  22   8.023  -1.876  13.873
  312   HH11  ARG  22          1HH2      ARG  22   5.320  -2.047  16.154
  313   HH12  ARG  22          2HH2      ARG  22   6.349  -1.790  17.531
  314   HH21  ARG  22          1HH1      ARG  22   9.287  -1.550  15.689
  315   HH22  ARG  22          2HH1      ARG  22   8.565  -1.517  17.269
  316    H    GLY  23           H        GLY  23   3.568  -5.447   9.676
  317    HA2  GLY  23           HA2      GLY  23   1.777  -6.425   8.508
  318    HA3  GLY  23           HA3      GLY  23   0.879  -6.647  10.022
  319    H    HIS  24           H        HIS  24  -0.504  -5.848   8.001
  320    HA   HIS  24           HA       HIS  24  -1.468  -3.177   8.700
  321    HB2  HIS  24           2HB      HIS  24  -1.385  -2.395   6.333
  322    HB3  HIS  24           3HB      HIS  24   0.193  -2.536   7.096
  323    HD2  HIS  24           HD2      HIS  24   1.977  -3.937   5.822
  324    HE1  HIS  24           HE1      HIS  24  -0.525  -5.601   2.822
  325    HE2  HIS  24           HE2      HIS  24   1.884  -5.331   3.600
  326    H    PHE  25           H        PHE  25  -3.608  -2.762   7.820
  327    HA   PHE  25           HA       PHE  25  -5.127  -5.256   7.852
  328    HB2  PHE  25           2HB      PHE  25  -7.069  -3.758   8.134
  329    HB3  PHE  25           3HB      PHE  25  -5.808  -3.564   9.329
  330    HD1  PHE  25           HD1      PHE  25  -7.154  -2.039   6.170
  331    HD2  PHE  25           HD2      PHE  25  -4.873  -1.426   9.789
  332    HE1  PHE  25           HE1      PHE  25  -7.159   0.405   5.763
  333    HE2  PHE  25           HE2      PHE  25  -4.928   1.022   9.396
  334    HZ   PHE  25           HZ       PHE  25  -6.108   1.946   7.413
  335    H    TYR  26           H        TYR  26  -4.032  -3.299   5.245
  336    HA   TYR  26           HA       TYR  26  -6.134  -4.236   3.385
  337    HB2  TYR  26           2HB      TYR  26  -5.268  -2.074   2.908
  338    HB3  TYR  26           3HB      TYR  26  -3.605  -2.631   3.029
  339    HD1  TYR  26           HD1      TYR  26  -6.745  -3.328   1.032
  340    HD2  TYR  26           HD2      TYR  26  -2.440  -3.210   1.077
  341    HE1  TYR  26           HE1      TYR  26  -6.692  -3.989  -1.367
  342    HE2  TYR  26           HE2      TYR  26  -2.373  -3.856  -1.289
  343    HH   TYR  26           HH       TYR  26  -5.368  -4.478  -3.189
  344    H    THR  27           H        THR  27  -6.006  -6.478   3.761
  345    HA   THR  27           HA       THR  27  -3.688  -7.851   2.435
  346    HB   THR  27           HB       THR  27  -4.378  -9.863   3.747
  347    HG1  THR  27           HG1      THR  27  -6.426  -9.089   4.396
  348   HG21  THR  27          1HG2      THR  27  -2.401  -8.477   4.325
  349   HG22  THR  27          2HG2      THR  27  -3.420  -7.413   5.307
  350   HG23  THR  27          3HG2      THR  27  -3.195  -9.110   5.777
  351    HA   PRO  28           HA       PRO  28  -7.266  -8.301  -0.368
  352    HB2  PRO  28           2HB      PRO  28  -5.932  -8.418  -2.743
  353    HB3  PRO  28           3HB      PRO  28  -6.171  -6.886  -1.846
  354    HG2  PRO  28           2HG      PRO  28  -3.737  -8.704  -1.808
  355    HG3  PRO  28           3HG      PRO  28  -3.780  -6.933  -2.069
  356    HD2  PRO  28           2HD      PRO  28  -3.267  -8.017   0.368
  357    HD3  PRO  28           3HD      PRO  28  -4.231  -6.516   0.214
  358    H    LYS  29           H        LYS  29  -8.004  -9.978  -1.831
  359    HA   LYS  29           HA       LYS  29  -6.476 -12.434  -2.147
  360    HB2  LYS  29           2HB      LYS  29  -7.501 -12.528   0.206
  361    HB3  LYS  29           3HB      LYS  29  -9.077 -12.508  -0.556
  362    HG2  LYS  29           2HG      LYS  29  -8.471 -14.769   0.059
  363    HG3  LYS  29           3HG      LYS  29  -8.594 -14.649  -1.689
  364    HD2  LYS  29           2HD      LYS  29  -6.701 -16.048  -0.981
  365    HD3  LYS  29           3HD      LYS  29  -6.143 -14.656  -1.907
  366    HE2  LYS  29           2HE      LYS  29  -5.538 -13.481   0.200
  367    HE3  LYS  29           3HE      LYS  29  -6.154 -14.845   1.144
  368    HZ1  LYS  29           HZ1      LYS  29  -3.750 -14.963   0.880
  369    HZ2  LYS  29           HZ2      LYS  29  -4.438 -16.237   0.124
  370    HZ3  LYS  29           HZ3      LYS  29  -3.869 -14.976  -0.749
  371    H    THR  30           H        THR  30  -7.098 -13.583  -3.893
  372    HA   THR  30           HA       THR  30  -8.725 -12.496  -5.933
  373    HB   THR  30           HB       THR  30  -7.889 -15.404  -5.634
  374    HG1  THR  30           HG1      THR  30  -6.461 -13.188  -6.697
  375   HG21  THR  30          1HG2      THR  30  -8.372 -13.654  -8.091
  376   HG22  THR  30          2HG2      THR  30  -7.707 -15.303  -8.114
  377   HG23  THR  30          3HG2      THR  30  -9.364 -15.029  -7.562
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -11.735   3.290   0.452
    2    H2   GLY   1           2H       GLY   1 -11.012   3.389  -1.015
    3    H3   GLY   1           3H       GLY   1 -10.467   4.303   0.229
    4    HA2  GLY   1           HA2      GLY   1  -9.746   2.358   1.441
    5    HA3  GLY   1           HA3      GLY   1 -10.364   1.354   0.117
    6    H    ILE   2           H        ILE   2  -7.615   1.633   1.211
    7    HA   ILE   2           HA       ILE   2  -5.899   3.259  -0.246
    8    HB   ILE   2           HB       ILE   2  -5.240   2.162   1.757
    9   HG12  ILE   2          2HG1      ILE   2  -3.032   1.401   1.348
   10   HG13  ILE   2          3HG1      ILE   2  -3.378   0.975  -0.325
   11   HG21  ILE   2          1HG2      ILE   2  -4.711  -0.189   1.992
   12   HG22  ILE   2          2HG2      ILE   2  -6.407  -0.020   1.545
   13   HG23  ILE   2          3HG2      ILE   2  -5.212  -0.528   0.327
   14   HD11  ILE   2          3HD1      ILE   2  -3.612   3.819   0.667
   15   HD12  ILE   2          1HD1      ILE   2  -2.061   3.125   0.129
   16   HD13  ILE   2          2HD1      ILE   2  -3.418   3.262  -0.997
   17    H    VAL   3           H        VAL   3  -6.829  -0.036  -1.294
   18    HA   VAL   3           HA       VAL   3  -5.133  -0.065  -3.562
   19    HB   VAL   3           HB       VAL   3  -6.268  -2.015  -2.545
   20   HG11  VAL   3          1HG1      VAL   3  -8.588  -1.136  -2.413
   21   HG12  VAL   3          2HG1      VAL   3  -8.714  -1.240  -4.183
   22   HG13  VAL   3          3HG1      VAL   3  -8.493  -2.709  -3.218
   23   HG21  VAL   3          3HG2      VAL   3  -6.631  -1.841  -5.562
   24   HG22  VAL   3          1HG2      VAL   3  -5.107  -2.196  -4.714
   25   HG23  VAL   3          2HG2      VAL   3  -6.474  -3.317  -4.593
   26    H    GLU   4           H        GLU   4  -8.249   1.535  -3.179
   27    HA   GLU   4           HA       GLU   4  -8.713   1.948  -6.032
   28    HB2  GLU   4           2HB      GLU   4 -10.448   1.840  -4.110
   29    HB3  GLU   4           3HB      GLU   4  -9.936   3.476  -3.710
   30    HG2  GLU   4           2HG      GLU   4 -11.920   3.614  -5.034
   31    HG3  GLU   4           3HG      GLU   4 -10.598   4.205  -6.026
   32    H    GLN   5           H        GLN   5  -6.838   3.516  -3.542
   33    HA   GLN   5           HA       GLN   5  -6.423   6.031  -5.108
   34    HB2  GLN   5           2HB      GLN   5  -5.289   5.110  -2.422
   35    HB3  GLN   5           3HB      GLN   5  -5.027   6.675  -3.185
   36    HG2  GLN   5           2HG      GLN   5  -7.696   5.582  -2.174
   37    HG3  GLN   5           3HG      GLN   5  -6.703   6.810  -1.398
   38   HE21  GLN   5          2HE2      GLN   5  -6.257   8.867  -2.829
   39   HE22  GLN   5          1HE2      GLN   5  -7.624   9.396  -3.796
   40    H    CYS   6           H        CYS   6  -4.289   3.505  -3.618
   41    HA   CYS   6           HA       CYS   6  -2.030   4.619  -4.894
   42    HB2  CYS   6           2HB      CYS   6  -2.653   2.453  -3.062
   43    HB3  CYS   6           3HB      CYS   6  -1.404   1.963  -4.188
   44    H    CYS   7           H        CYS   7  -4.101   2.030  -6.159
   45    HA   CYS   7           HA       CYS   7  -2.270   1.251  -8.268
   46    HB2  CYS   7           2HB      CYS   7  -5.279   0.998  -7.980
   47    HB3  CYS   7           3HB      CYS   7  -4.353   0.286  -9.297
   48    H    THR   8           H        THR   8  -4.146   4.095  -7.895
   49    HA   THR   8           HA       THR   8  -4.113   4.744 -10.834
   50    HB   THR   8           HB       THR   8  -6.104   5.553  -8.673
   51    HG1  THR   8           HG1      THR   8  -7.429   4.056  -9.696
   52   HG21  THR   8          1HG2      THR   8  -6.133   5.957 -11.703
   53   HG22  THR   8          2HG2      THR   8  -7.528   6.219 -10.632
   54   HG23  THR   8          3HG2      THR   8  -6.092   7.227 -10.457
   55    H    SER   9           H        SER   9  -3.462   5.895  -7.596
   56    HA   SER   9           HA       SER   9  -2.374   8.506  -8.558
   57    HB2  SER   9           2HB      SER   9  -3.956   7.728  -6.070
   58    HB3  SER   9           3HB      SER   9  -3.084   9.244  -6.202
   59    HG   SER   9           HG       SER   9  -5.288   9.478  -6.824
   60    H    ILE  10           H        ILE  10  -0.586   9.360  -7.270
   61    HA   ILE  10           HA       ILE  10   1.467   7.447  -6.847
   62    HB   ILE  10           HB       ILE  10   1.277  10.339  -5.914
   63   HG12  ILE  10          2HG1      ILE  10   1.089  10.103  -8.378
   64   HG13  ILE  10          3HG1      ILE  10   2.515  10.977  -7.861
   65   HG21  ILE  10          1HG2      ILE  10   3.804  10.268  -5.907
   66   HG22  ILE  10          2HG2      ILE  10   3.025   9.357  -4.617
   67   HG23  ILE  10          3HG2      ILE  10   3.696   8.496  -6.017
   68   HD11  ILE  10          3HD1      ILE  10   3.945   9.036  -8.318
   69   HD12  ILE  10          1HD1      ILE  10   2.517   8.060  -8.747
   70   HD13  ILE  10          2HD1      ILE  10   2.984   9.452  -9.740
   71    H    CYS  11           H        CYS  11   2.207   6.301  -5.212
   72    HA   CYS  11           HA       CYS  11   0.883   6.320  -2.593
   73    HB2  CYS  11           2HB      CYS  11   3.129   4.635  -3.754
   74    HB3  CYS  11           3HB      CYS  11   2.322   4.348  -2.205
   75    H    SER  12           H        SER  12   4.133   5.559  -2.223
   76    HA   SER  12           HA       SER  12   6.026   6.561  -1.434
   77    HB2  SER  12           2HB      SER  12   4.627   9.187  -0.935
   78    HB3  SER  12           3HB      SER  12   6.348   8.845  -0.951
   79    HG   SER  12           HG       SER  12   4.551   8.956  -3.126
   80    H    LEU  13           H        LEU  13   6.960   6.803   0.609
   81    HA   LEU  13           HA       LEU  13   5.737   5.321   2.558
   82    HB2  LEU  13           2HB      LEU  13   7.642   5.888   3.956
   83    HB3  LEU  13           3HB      LEU  13   8.091   5.578   2.287
   84    HG   LEU  13           HG       LEU  13   7.916   8.314   2.203
   85   HD11  LEU  13          1HD1      LEU  13   9.032   7.690   4.976
   86   HD12  LEU  13          2HD1      LEU  13   8.949   9.278   4.181
   87   HD13  LEU  13          3HD1      LEU  13   7.467   8.462   4.691
   88   HD21  LEU  13          3HD2      LEU  13  10.337   6.685   3.079
   89   HD22  LEU  13          1HD2      LEU  13   9.803   6.963   1.406
   90   HD23  LEU  13          2HD2      LEU  13  10.373   8.323   2.386
   91    H    TYR  14           H        TYR  14   5.840   8.884   2.617
   92    HA   TYR  14           HA       TYR  14   4.677   9.089   5.241
   93    HB2  TYR  14           2HB      TYR  14   4.358  11.516   4.477
   94    HB3  TYR  14           3HB      TYR  14   6.007  10.887   4.467
   95    HD1  TYR  14           HD2      TYR  14   3.104  11.758   2.302
   96    HD2  TYR  14           HD1      TYR  14   7.292  10.756   2.444
   97    HE1  TYR  14           HE2      TYR  14   3.283  12.192  -0.139
   98    HE2  TYR  14           HE1      TYR  14   7.505  11.253   0.028
   99    HH   TYR  14           HH       TYR  14   6.415  11.946  -1.893
  100    H    GLN  15           H        GLN  15   3.224   8.607   2.133
  101    HA   GLN  15           HA       GLN  15   0.469   9.273   3.084
  102    HB2  GLN  15           2HB      GLN  15   1.735   8.409   0.463
  103    HB3  GLN  15           3HB      GLN  15  -0.001   8.258   0.700
  104    HG2  GLN  15           2HG      GLN  15   1.538  10.865   0.917
  105    HG3  GLN  15           3HG      GLN  15   0.644  10.326  -0.498
  106   HE21  GLN  15          2HE2      GLN  15  -1.774  10.084  -0.277
  107   HE22  GLN  15          1HE2      GLN  15  -2.583  11.046   0.948
  108    H    LEU  16           H        LEU  16   2.422   6.425   2.028
  109    HA   LEU  16           HA       LEU  16   0.483   4.442   2.512
  110    HB2  LEU  16           2HB      LEU  16   3.503   4.507   2.538
  111    HB3  LEU  16           3HB      LEU  16   2.632   2.996   2.756
  112    HG   LEU  16           HG       LEU  16   2.369   4.776   0.288
  113   HD11  LEU  16          1HD1      LEU  16   3.755   2.984  -0.797
  114   HD12  LEU  16          2HD1      LEU  16   4.626   3.867   0.466
  115   HD13  LEU  16          3HD1      LEU  16   3.994   2.236   0.798
  116   HD21  LEU  16          3HD2      LEU  16   1.326   2.786  -0.728
  117   HD22  LEU  16          1HD2      LEU  16   1.480   1.920   0.803
  118   HD23  LEU  16          2HD2      LEU  16   0.386   3.317   0.679
  119    H    GLU  17           H        GLU  17   2.698   5.976   4.822
  120    HA   GLU  17           HA       GLU  17   2.414   4.189   6.951
  121    HB2  GLU  17           2HB      GLU  17   3.985   6.148   6.719
  122    HB3  GLU  17           3HB      GLU  17   2.659   7.218   7.187
  123    HG2  GLU  17           2HG      GLU  17   2.487   6.054   9.355
  124    HG3  GLU  17           3HG      GLU  17   3.701   4.877   8.845
  125    H    ASN  18           H        ASN  18   0.085   6.560   5.803
  126    HA   ASN  18           HA       ASN  18  -1.568   6.728   8.147
  127    HB2  ASN  18           2HB      ASN  18  -2.232   7.108   5.197
  128    HB3  ASN  18           3HB      ASN  18  -3.316   7.498   6.508
  129   HD21  ASN  18          2HD2      ASN  18  -0.495   8.509   4.787
  130   HD22  ASN  18          1HD2      ASN  18  -0.245  10.032   5.640
  131    H    TYR  19           H        TYR  19  -1.135   4.100   5.938
  132    HA   TYR  19           HA       TYR  19  -3.646   2.778   6.870
  133    HB2  TYR  19           2HB      TYR  19  -1.949   1.902   4.545
  134    HB3  TYR  19           3HB      TYR  19  -3.625   1.505   4.876
  135    HD1  TYR  19           HD2      TYR  19  -5.399   3.404   4.610
  136    HD2  TYR  19           HD1      TYR  19  -1.326   3.780   3.308
  137    HE1  TYR  19           HE2      TYR  19  -6.010   5.422   3.296
  138    HE2  TYR  19           HE1      TYR  19  -1.895   5.825   2.027
  139    HH   TYR  19           HH       TYR  19  -5.255   7.127   1.943
  140    H    CYS  20           H        CYS  20  -0.686   3.032   8.014
  141    HA   CYS  20           HA       CYS  20   0.096   0.253   8.420
  142    HB2  CYS  20           2HB      CYS  20   1.724   2.063   8.424
  143    HB3  CYS  20           3HB      CYS  20   0.931   2.807   9.809
  144    H    ASN  21           H        ASN  21  -0.225  -1.009  10.279
  145    HA   ASN  21           HA       ASN  21  -2.666  -0.608  11.789
  146    HB2  ASN  21           2HB      ASN  21  -0.420  -2.655  11.930
  147    HB3  ASN  21           3HB      ASN  21  -1.803  -2.703  13.021
  148   HD21  ASN  21          2HD2      ASN  21  -1.252  -4.853  11.613
  149   HD22  ASN  21          1HD2      ASN  21  -2.467  -4.997  10.378
  150    H1   PHE   1           H        PHE   1  11.157   1.493  -2.359
  151    HA   PHE   1           HA       PHE   1  10.799   0.627  -4.949
  152    HB2  PHE   1           2HB      PHE   1   8.403   0.305  -4.330
  153    HB3  PHE   1           3HB      PHE   1   9.592  -0.374  -3.244
  154    HD1  PHE   1           HD2      PHE   1   7.781   2.910  -3.627
  155    HD2  PHE   1           HD1      PHE   1   9.105  -0.210  -0.985
  156    HE1  PHE   1           HE2      PHE   1   6.625   4.035  -1.738
  157    HE2  PHE   1           HE1      PHE   1   7.954   0.912   0.918
  158    HZ   PHE   1           HZ       PHE   1   6.689   3.019   0.527
  159    H    VAL   2           H        VAL   2  10.900   3.773  -4.274
  160    HA   VAL   2           HA       VAL   2  10.806   5.619  -5.566
  161    HB   VAL   2           HB       VAL   2   9.570   3.973  -7.813
  162   HG11  VAL   2          1HG1      VAL   2  10.578   5.724  -9.285
  163   HG12  VAL   2          2HG1      VAL   2   9.250   6.315  -8.298
  164   HG13  VAL   2          3HG1      VAL   2  10.931   6.691  -7.836
  165   HG21  VAL   2          3HG2      VAL   2  11.888   3.865  -8.711
  166   HG22  VAL   2          1HG2      VAL   2  12.494   4.652  -7.238
  167   HG23  VAL   2          2HG2      VAL   2  11.772   3.030  -7.165
  168    H    ASN   3           H        ASN   3   9.444   7.362  -6.007
  169    HA   ASN   3           HA       ASN   3   6.780   7.317  -4.863
  170    HB2  ASN   3           2HB      ASN   3   8.109   9.494  -6.532
  171    HB3  ASN   3           3HB      ASN   3   6.769   9.675  -5.398
  172   HD21  ASN   3          2HD2      ASN   3   7.291   9.226  -3.041
  173   HD22  ASN   3          1HD2      ASN   3   8.940   9.545  -2.497
  174    H    GLN   4           H        GLN   4   5.465   5.868  -6.063
  175    HA   GLN   4           HA       GLN   4   4.539   6.736  -8.710
  176    HB2  GLN   4           2HB      GLN   4   5.164   4.798  -9.917
  177    HB3  GLN   4           3HB      GLN   4   6.621   5.462  -9.200
  178    HG2  GLN   4           2HG      GLN   4   6.555   3.728  -7.425
  179    HG3  GLN   4           3HG      GLN   4   5.069   3.071  -8.108
  180   HE21  GLN   4          2HE2      GLN   4   8.169   2.181  -7.871
  181   HE22  GLN   4          1HE2      GLN   4   8.388   1.474  -9.468
  182    H    HIS   5           H        HIS   5   3.054   4.845  -9.616
  183    HA   HIS   5           HA       HIS   5   0.850   4.745  -7.713
  184    HB2  HIS   5           2HB      HIS   5   0.902   3.909 -10.628
  185    HB3  HIS   5           3HB      HIS   5  -0.499   4.339  -9.653
  186    HD2  HIS   5           HD2      HIS   5   2.312   5.809 -11.739
  187    HE1  HIS   5           HE1      HIS   5  -0.191   9.076 -10.662
  188    HE2  HIS   5           HE2      HIS   5   1.760   8.352 -12.135
  189    H    LEU   6           H        LEU   6   2.343   2.982  -6.505
  190    HA   LEU   6           HA       LEU   6   2.563   0.340  -7.586
  191    HB2  LEU   6           2HB      LEU   6   2.450   1.173  -4.659
  192    HB3  LEU   6           3HB      LEU   6   2.987  -0.390  -5.255
  193    HG   LEU   6           HG       LEU   6   4.361   2.279  -5.766
  194   HD11  LEU   6          1HD1      LEU   6   5.178  -0.111  -4.090
  195   HD12  LEU   6          2HD1      LEU   6   6.114   1.372  -4.333
  196   HD13  LEU   6          3HD1      LEU   6   4.573   1.446  -3.457
  197   HD21  LEU   6          3HD2      LEU   6   5.312  -0.523  -6.520
  198   HD22  LEU   6          1HD2      LEU   6   4.751   0.701  -7.681
  199   HD23  LEU   6          2HD2      LEU   6   6.215   0.978  -6.724
  200    H    CYS   7           H        CYS   7   1.333  -1.477  -7.537
  201    HA   CYS   7           HA       CYS   7  -1.427  -1.310  -6.385
  202    HB2  CYS   7           2HB      CYS   7  -1.263  -0.627  -8.821
  203    HB3  CYS   7           3HB      CYS   7  -0.755  -2.273  -9.179
  204    H    GLY   8           H        GLY   8  -2.412  -3.349  -5.923
  205    HA2  GLY   8           HA2      GLY   8  -2.540  -5.605  -5.375
  206    HA3  GLY   8           HA3      GLY   8  -1.468  -5.854  -6.755
  207    H    SER   9           H        SER   9   0.188  -7.105  -6.229
  208    HA   SER   9           HA       SER   9   1.160  -7.681  -3.615
  209    HB2  SER   9           2HB      SER   9   3.119  -8.625  -4.883
  210    HB3  SER   9           3HB      SER   9   1.532  -9.232  -5.378
  211    HG   SER   9           HG       SER   9   2.833  -8.706  -7.197
  212    H    HIS  10           H        HIS  10   2.559  -5.451  -6.101
  213    HA   HIS  10           HA       HIS  10   4.717  -4.484  -4.547
  214    HB2  HIS  10           2HB      HIS  10   3.076  -3.293  -6.804
  215    HB3  HIS  10           3HB      HIS  10   4.314  -2.359  -5.988
  216    HD2  HIS  10           HD2      HIS  10   4.425  -6.036  -7.236
  217    HE1  HIS  10           HE1      HIS  10   7.769  -3.984  -8.887
  218    HE2  HIS  10           HE2      HIS  10   6.595  -6.242  -8.726
  219    H    LEU  11           H        LEU  11   1.313  -3.455  -4.472
  220    HA   LEU  11           HA       LEU  11   1.765  -1.202  -2.690
  221    HB2  LEU  11           2HB      LEU  11  -0.156  -1.327  -4.179
  222    HB3  LEU  11           3HB      LEU  11  -0.744  -2.783  -3.393
  223    HG   LEU  11           HG       LEU  11  -1.238  -1.556  -1.345
  224   HD11  LEU  11          1HD1      LEU  11  -0.008   0.826  -2.783
  225   HD12  LEU  11          2HD1      LEU  11  -1.044   0.967  -1.339
  226   HD13  LEU  11          3HD1      LEU  11   0.500   0.122  -1.241
  227   HD21  LEU  11          3HD2      LEU  11  -2.270  -0.163  -3.860
  228   HD22  LEU  11          1HD2      LEU  11  -2.919  -1.652  -3.151
  229   HD23  LEU  11          2HD2      LEU  11  -3.044  -0.128  -2.264
  230    H    VAL  12           H        VAL  12   0.744  -4.604  -2.145
  231    HA   VAL  12           HA       VAL  12   0.602  -4.376   0.719
  232    HB   VAL  12           HB       VAL  12   1.204  -6.800  -1.050
  233   HG11  VAL  12          3HG2      VAL  12   2.013  -7.348   1.203
  234   HG12  VAL  12          1HG2      VAL  12   0.470  -6.818   1.908
  235   HG13  VAL  12          2HG2      VAL  12   0.535  -8.239   0.851
  236   HG21  VAL  12          1HG1      VAL  12  -1.041  -5.845  -1.420
  237   HG22  VAL  12          2HG1      VAL  12  -1.134  -7.428  -0.657
  238   HG23  VAL  12          3HG1      VAL  12  -1.381  -5.957   0.313
  239    H    GLU  13           H        GLU  13   3.296  -5.294  -1.405
  240    HA   GLU  13           HA       GLU  13   5.284  -5.801   0.573
  241    HB2  GLU  13           2HB      GLU  13   5.458  -4.747  -2.280
  242    HB3  GLU  13           3HB      GLU  13   6.876  -5.153  -1.324
  243    HG2  GLU  13           2HG      GLU  13   4.671  -7.185  -1.843
  244    HG3  GLU  13           3HG      GLU  13   5.968  -6.883  -2.987
  245    H    ALA  14           H        ALA  14   4.517  -2.738  -1.192
  246    HA   ALA  14           HA       ALA  14   6.425  -1.112   0.132
  247    HB1  ALA  14           3HB      ALA  14   3.715  -0.399  -1.087
  248    HB2  ALA  14           1HB      ALA  14   5.028   0.743  -0.729
  249    HB3  ALA  14           2HB      ALA  14   5.274  -0.516  -1.942
  250    H    LEU  15           H        LEU  15   2.939  -1.594   0.916
  251    HA   LEU  15           HA       LEU  15   2.871   0.058   3.215
  252    HB2  LEU  15           2HB      LEU  15   1.302  -2.392   2.336
  253    HB3  LEU  15           3HB      LEU  15   0.958  -1.576   3.875
  254    HG   LEU  15           HG       LEU  15   0.912  -0.151   1.234
  255   HD11  LEU  15          1HD1      LEU  15  -1.421  -1.427   2.707
  256   HD12  LEU  15          2HD1      LEU  15  -1.522  -0.430   1.235
  257   HD13  LEU  15          3HD1      LEU  15  -0.687  -1.989   1.185
  258   HD21  LEU  15          3HD2      LEU  15   1.085   1.325   3.224
  259   HD22  LEU  15          1HD2      LEU  15  -0.526   1.464   2.506
  260   HD23  LEU  15          2HD2      LEU  15  -0.281   0.486   3.974
  261    H    TYR  16           H        TYR  16   3.765  -3.400   2.955
  262    HA   TYR  16           HA       TYR  16   4.259  -3.782   5.765
  263    HB2  TYR  16           2HB      TYR  16   3.923  -5.696   4.408
  264    HB3  TYR  16           3HB      TYR  16   5.131  -5.194   3.234
  265    HD1  TYR  16           HD2      TYR  16   4.759  -6.312   6.801
  266    HD2  TYR  16           HD1      TYR  16   7.378  -5.846   3.410
  267    HE1  TYR  16           HE2      TYR  16   6.567  -7.503   8.035
  268    HE2  TYR  16           HE1      TYR  16   9.197  -6.997   4.639
  269    HH   TYR  16           HH       TYR  16   9.814  -8.054   6.600
  270    H    LEU  17           H        LEU  17   6.447  -2.716   3.097
  271    HA   LEU  17           HA       LEU  17   8.801  -2.603   4.759
  272    HB2  LEU  17           2HB      LEU  17   8.018  -1.885   1.998
  273    HB3  LEU  17           3HB      LEU  17   9.110  -0.709   2.679
  274    HG   LEU  17           HG       LEU  17  10.265  -2.419   1.389
  275   HD11  LEU  17          1HD1      LEU  17  10.992  -2.595   4.346
  276   HD12  LEU  17          2HD1      LEU  17  12.055  -2.915   2.964
  277   HD13  LEU  17          3HD1      LEU  17  11.442  -1.277   3.244
  278   HD21  LEU  17          3HD2      LEU  17  10.485  -4.725   2.129
  279   HD22  LEU  17          1HD2      LEU  17   9.414  -4.432   3.511
  280   HD23  LEU  17          2HD2      LEU  17   8.776  -4.348   1.851
  281    H    VAL  18           H        VAL  18   6.395  -0.134   3.912
  282    HA   VAL  18           HA       VAL  18   7.639   2.033   5.351
  283    HB   VAL  18           HB       VAL  18   4.755   1.556   4.504
  284   HG11  VAL  18          1HG1      VAL  18   5.993   4.124   5.602
  285   HG12  VAL  18          2HG1      VAL  18   4.418   3.997   4.792
  286   HG13  VAL  18          3HG1      VAL  18   4.665   3.192   6.336
  287   HG21  VAL  18          3HG2      VAL  18   6.920   3.375   3.369
  288   HG22  VAL  18          1HG2      VAL  18   6.495   1.792   2.711
  289   HG23  VAL  18          2HG2      VAL  18   5.294   3.074   2.703
  290    H    CYS  19           H        CYS  19   4.878  -0.076   6.239
  291    HA   CYS  19           HA       CYS  19   4.570   0.981   8.886
  292    HB2  CYS  19           2HB      CYS  19   2.891  -0.255   7.458
  293    HB3  CYS  19           3HB      CYS  19   3.732  -1.749   7.838
  294    H    GLY  20           H        GLY  20   6.584  -1.665   7.684
  295    HA2  GLY  20           HA2      GLY  20   8.533  -2.512   8.521
  296    HA3  GLY  20           HA3      GLY  20   8.409  -1.375   9.883
  297    H    GLU  21           H        GLU  21   5.617  -3.141   9.909
  298    HA   GLU  21           HA       GLU  21   6.294  -5.502  11.394
  299    HB2  GLU  21           2HB      GLU  21   6.923  -3.371  12.891
  300    HB3  GLU  21           3HB      GLU  21   5.186  -3.247  13.097
  301    HG2  GLU  21           2HG      GLU  21   5.209  -5.615  14.016
  302    HG3  GLU  21           3HG      GLU  21   6.953  -5.643  13.784
  303    H    ARG  22           H        ARG  22   4.214  -6.308  12.450
  304    HA   ARG  22           HA       ARG  22   2.043  -6.714  12.749
  305    HB2  ARG  22           2HB      ARG  22   1.671  -3.823  11.899
  306    HB3  ARG  22           3HB      ARG  22   0.492  -4.798  12.771
  307    HG2  ARG  22           2HG      ARG  22   1.716  -4.817  14.767
  308    HG3  ARG  22           3HG      ARG  22   3.245  -4.475  13.967
  309    HD2  ARG  22           2HD      ARG  22   2.313  -2.209  13.325
  310    HD3  ARG  22           3HD      ARG  22   1.005  -2.536  14.493
  311    HE   ARG  22           HE       ARG  22   3.685  -2.990  15.563
  312   HH11  ARG  22          1HH1      ARG  22   1.423  -0.325  14.934
  313   HH12  ARG  22          2HH1      ARG  22   2.187   0.692  16.127
  314   HH21  ARG  22          1HH2      ARG  22   4.585  -1.688  17.011
  315   HH22  ARG  22          2HH2      ARG  22   3.983  -0.075  17.312
  316    H    GLY  23           H        GLY  23   2.758  -5.535   9.532
  317    HA2  GLY  23           HA2      GLY  23   2.173  -6.610   7.542
  318    HA3  GLY  23           HA3      GLY  23   0.973  -7.585   8.427
  319    H    HIS  24           H        HIS  24   0.655  -4.181   8.850
  320    HA   HIS  24           HA       HIS  24  -1.180  -2.874   8.570
  321    HB2  HIS  24           2HB      HIS  24  -1.502  -2.090   6.270
  322    HB3  HIS  24           3HB      HIS  24   0.164  -2.172   6.790
  323    HD2  HIS  24           HD2      HIS  24   1.823  -3.679   5.493
  324    HE1  HIS  24           HE1      HIS  24  -0.787  -4.940   2.409
  325    HE2  HIS  24           HE2      HIS  24   1.618  -4.918   3.192
  326    H    PHE  25           H        PHE  25  -3.309  -2.682   6.771
  327    HA   PHE  25           HA       PHE  25  -4.971  -5.042   7.583
  328    HB2  PHE  25           2HB      PHE  25  -6.860  -3.465   7.653
  329    HB3  PHE  25           3HB      PHE  25  -5.611  -3.170   8.835
  330    HD1  PHE  25           HD1      PHE  25  -6.582  -1.983   5.359
  331    HD2  PHE  25           HD2      PHE  25  -5.014  -0.969   9.252
  332    HE1  PHE  25           HE1      PHE  25  -6.598   0.420   4.744
  333    HE2  PHE  25           HE2      PHE  25  -5.092   1.433   8.651
  334    HZ   PHE  25           HZ       PHE  25  -5.912   2.132   6.414
  335    H    TYR  26           H        TYR  26  -3.729  -3.566   4.778
  336    HA   TYR  26           HA       TYR  26  -5.959  -4.511   3.058
  337    HB2  TYR  26           2HB      TYR  26  -5.156  -2.408   2.439
  338    HB3  TYR  26           3HB      TYR  26  -3.469  -2.890   2.575
  339    HD1  TYR  26           HD1      TYR  26  -6.543  -4.074   0.679
  340    HD2  TYR  26           HD2      TYR  26  -2.334  -3.196   0.596
  341    HE1  TYR  26           HE1      TYR  26  -6.444  -4.742  -1.721
  342    HE2  TYR  26           HE2      TYR  26  -2.218  -3.836  -1.779
  343    HH   TYR  26           HH       TYR  26  -3.383  -4.625  -3.596
  344    H    THR  27           H        THR  27  -5.825  -6.724   3.552
  345    HA   THR  27           HA       THR  27  -3.497  -8.178   2.356
  346    HB   THR  27           HB       THR  27  -4.262 -10.069   3.863
  347    HG1  THR  27           HG1      THR  27  -5.426  -9.413   5.688
  348   HG21  THR  27          1HG2      THR  27  -2.229  -8.687   4.257
  349   HG22  THR  27          2HG2      THR  27  -3.198  -7.501   5.149
  350   HG23  THR  27          3HG2      THR  27  -3.006  -9.151   5.777
  351    HA   PRO  28           HA       PRO  28  -7.054  -8.946  -0.435
  352    HB2  PRO  28           2HB      PRO  28  -5.718  -8.976  -2.811
  353    HB3  PRO  28           3HB      PRO  28  -6.115  -7.455  -1.951
  354    HG2  PRO  28           2HG      PRO  28  -3.505  -9.008  -1.873
  355    HG3  PRO  28           3HG      PRO  28  -3.733  -7.258  -2.186
  356    HD2  PRO  28           2HD      PRO  28  -3.104  -8.206   0.279
  357    HD3  PRO  28           3HD      PRO  28  -4.226  -6.825   0.084
  358    H    LYS  29           H        LYS  29  -7.595 -10.730  -1.857
  359    HA   LYS  29           HA       LYS  29  -5.822 -13.048  -2.065
  360    HB2  LYS  29           2HB      LYS  29  -6.809 -13.221   0.226
  361    HB3  LYS  29           3HB      LYS  29  -8.427 -13.239  -0.485
  362    HG2  LYS  29           2HG      LYS  29  -7.864 -15.334  -1.705
  363    HG3  LYS  29           3HG      LYS  29  -6.236 -15.307  -1.015
  364    HD2  LYS  29           2HD      LYS  29  -8.834 -15.526   0.574
  365    HD3  LYS  29           3HD      LYS  29  -7.790 -16.882   0.124
  366    HE2  LYS  29           2HE      LYS  29  -5.908 -15.854   1.405
  367    HE3  LYS  29           3HE      LYS  29  -6.977 -14.534   1.900
  368    HZ1  LYS  29           HZ1      LYS  29  -8.382 -16.176   3.017
  369    HZ2  LYS  29           HZ2      LYS  29  -7.391 -17.397   2.564
  370    HZ3  LYS  29           HZ3      LYS  29  -6.857 -16.252   3.598
  371    H    THR  30           H        THR  30  -6.270 -14.267  -3.803
  372    HA   THR  30           HA       THR  30  -8.835 -14.058  -5.302
  373    HB   THR  30           HB       THR  30  -6.115 -13.625  -6.601
  374    HG1  THR  30           HG1      THR  30  -8.207 -11.809  -5.980
  375   HG21  THR  30          1HG2      THR  30  -7.483 -12.929  -8.562
  376   HG22  THR  30          2HG2      THR  30  -7.743 -14.626  -8.144
  377   HG23  THR  30          3HG2      THR  30  -8.960 -13.412  -7.695
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1 -10.734   4.687  -0.809
    2    H2   GLY   1           2H       GLY   1  -9.991   5.706   0.249
    3    H3   GLY   1           3H       GLY   1 -11.266   4.789   0.736
    4    HA2  GLY   1           HA2      GLY   1  -9.308   3.784   1.598
    5    HA3  GLY   1           HA3      GLY   1  -9.990   2.762   0.318
    6    H    ILE   2           H        ILE   2  -7.591   2.087   0.659
    7    HA   ILE   2           HA       ILE   2  -5.491   3.813  -0.209
    8    HB   ILE   2           HB       ILE   2  -5.220   1.971   1.382
    9   HG12  ILE   2          2HG1      ILE   2  -3.399   1.776  -1.054
   10   HG13  ILE   2          3HG1      ILE   2  -3.279   2.951   0.245
   11   HG21  ILE   2          1HG2      ILE   2  -5.120  -0.337   0.813
   12   HG22  ILE   2          2HG2      ILE   2  -6.646   0.245   0.165
   13   HG23  ILE   2          3HG2      ILE   2  -5.261  -0.013  -0.922
   14   HD11  ILE   2          3HD1      ILE   2  -1.662   1.257   0.701
   15   HD12  ILE   2          1HD1      ILE   2  -2.982   0.971   1.848
   16   HD13  ILE   2          2HD1      ILE   2  -2.816  -0.047   0.398
   17    H    VAL   3           H        VAL   3  -7.214   1.322  -2.080
   18    HA   VAL   3           HA       VAL   3  -5.208   1.188  -4.145
   19    HB   VAL   3           HB       VAL   3  -8.138   0.361  -4.350
   20   HG11  VAL   3          1HG1      VAL   3  -7.002   0.418  -6.555
   21   HG12  VAL   3          2HG1      VAL   3  -5.685  -0.586  -5.899
   22   HG13  VAL   3          3HG1      VAL   3  -7.326  -1.243  -6.049
   23   HG21  VAL   3          3HG2      VAL   3  -7.298  -1.925  -3.759
   24   HG22  VAL   3          1HG2      VAL   3  -5.706  -1.223  -3.399
   25   HG23  VAL   3          2HG2      VAL   3  -7.130  -0.783  -2.429
   26    H    GLU   4           H        GLU   4  -8.232   2.983  -3.788
   27    HA   GLU   4           HA       GLU   4  -8.352   4.242  -6.322
   28    HB2  GLU   4           2HB      GLU   4  -9.372   5.438  -3.722
   29    HB3  GLU   4           3HB      GLU   4  -9.977   5.680  -5.355
   30    HG2  GLU   4           2HG      GLU   4 -11.565   4.223  -4.660
   31    HG3  GLU   4           3HG      GLU   4 -10.406   3.023  -5.221
   32    H    GLN   5           H        GLN   5  -6.088   4.799  -3.802
   33    HA   GLN   5           HA       GLN   5  -5.259   7.435  -4.982
   34    HB2  GLN   5           2HB      GLN   5  -4.724   6.148  -2.265
   35    HB3  GLN   5           3HB      GLN   5  -3.780   7.500  -2.907
   36    HG2  GLN   5           2HG      GLN   5  -5.753   8.918  -3.025
   37    HG3  GLN   5           3HG      GLN   5  -6.806   7.575  -2.556
   38   HE21  GLN   5          2HE2      GLN   5  -3.651   8.826  -1.122
   39   HE22  GLN   5          1HE2      GLN   5  -4.381   9.028   0.467
   40    H    CYS   6           H        CYS   6  -3.758   4.475  -3.552
   41    HA   CYS   6           HA       CYS   6  -1.237   5.139  -4.753
   42    HB2  CYS   6           2HB      CYS   6  -2.339   2.879  -3.068
   43    HB3  CYS   6           3HB      CYS   6  -0.712   2.786  -3.735
   44    H    CYS   7           H        CYS   7  -3.746   2.952  -5.883
   45    HA   CYS   7           HA       CYS   7  -1.895   1.829  -7.943
   46    HB2  CYS   7           2HB      CYS   7  -3.424   0.355  -6.662
   47    HB3  CYS   7           3HB      CYS   7  -4.803   1.212  -7.352
   48    H    THR   8           H        THR   8  -4.636   4.058  -7.638
   49    HA   THR   8           HA       THR   8  -5.015   4.486 -10.484
   50    HB   THR   8           HB       THR   8  -5.932   6.125  -8.092
   51    HG1  THR   8           HG1      THR   8  -7.856   4.866  -8.486
   52   HG21  THR   8          1HG2      THR   8  -6.223   7.402 -10.175
   53   HG22  THR   8          2HG2      THR   8  -6.964   5.992 -10.967
   54   HG23  THR   8          3HG2      THR   8  -7.790   6.811  -9.620
   55    H    SER   9           H        SER   9  -3.168   6.185  -7.946
   56    HA   SER   9           HA       SER   9  -1.729   7.745 -10.025
   57    HB2  SER   9           2HB      SER   9  -3.652   9.085  -9.041
   58    HB3  SER   9           3HB      SER   9  -2.818   8.991  -7.481
   59    HG   SER   9           HG       SER   9  -2.342  10.920  -8.749
   60    H    ILE  10           H        ILE  10  -0.086   9.185  -8.334
   61    HA   ILE  10           HA       ILE  10   1.858   7.158  -7.602
   62    HB   ILE  10           HB       ILE  10   1.795  10.168  -7.212
   63   HG12  ILE  10          2HG1      ILE  10   2.038   9.390  -9.552
   64   HG13  ILE  10          3HG1      ILE  10   3.440  10.264  -8.966
   65   HG21  ILE  10          1HG2      ILE  10   3.991   8.222  -6.424
   66   HG22  ILE  10          2HG2      ILE  10   4.267   9.962  -6.686
   67   HG23  ILE  10          3HG2      ILE  10   3.176   9.426  -5.410
   68   HD11  ILE  10          3HD1      ILE  10   3.258   7.233  -9.275
   69   HD12  ILE  10          1HD1      ILE  10   4.130   8.359 -10.324
   70   HD13  ILE  10          2HD1      ILE  10   4.673   8.120  -8.658
   71    H    CYS  11           H        CYS  11   2.181   6.084  -5.873
   72    HA   CYS  11           HA       CYS  11   0.796   6.680  -3.332
   73    HB2  CYS  11           2HB      CYS  11   1.019   4.388  -4.536
   74    HB3  CYS  11           3HB      CYS  11   2.684   4.409  -3.973
   75    H    SER  12           H        SER  12   2.027   6.685  -1.285
   76    HA   SER  12           HA       SER  12   4.879   7.480  -1.417
   77    HB2  SER  12           2HB      SER  12   2.925   9.377  -0.110
   78    HB3  SER  12           3HB      SER  12   4.607   9.649  -0.576
   79    HG   SER  12           HG       SER  12   3.437  10.712  -2.086
   80    H    LEU  13           H        LEU  13   5.892   7.624   0.697
   81    HA   LEU  13           HA       LEU  13   5.136   5.687   2.560
   82    HB2  LEU  13           2HB      LEU  13   6.855   6.639   3.983
   83    HB3  LEU  13           3HB      LEU  13   7.367   6.547   2.303
   84    HG   LEU  13           HG       LEU  13   6.500   9.155   2.391
   85   HD11  LEU  13          1HD1      LEU  13   7.770   8.632   5.120
   86   HD12  LEU  13          2HD1      LEU  13   7.302  10.207   4.444
   87   HD13  LEU  13          3HD1      LEU  13   6.062   9.023   4.879
   88   HD21  LEU  13          3HD2      LEU  13   8.654   8.378   1.507
   89   HD22  LEU  13          1HD2      LEU  13   8.879   9.770   2.579
   90   HD23  LEU  13          2HD2      LEU  13   9.264   8.134   3.159
   91    H    TYR  14           H        TYR  14   4.371   9.172   2.767
   92    HA   TYR  14           HA       TYR  14   3.145   8.938   5.363
   93    HB2  TYR  14           2HB      TYR  14   2.201  11.213   4.728
   94    HB3  TYR  14           3HB      TYR  14   3.959  11.057   4.782
   95    HD1  TYR  14           HD1      TYR  14   1.005  11.373   2.543
   96    HD2  TYR  14           HD2      TYR  14   5.310  11.352   2.804
   97    HE1  TYR  14           HE1      TYR  14   1.138  12.120   0.193
   98    HE2  TYR  14           HE2      TYR  14   5.463  12.141   0.463
   99    HH   TYR  14           HH       TYR  14   2.532  12.862  -1.509
  100    H    GLN  15           H        GLN  15   1.950   8.392   2.141
  101    HA   GLN  15           HA       GLN  15  -0.929   8.518   2.818
  102    HB2  GLN  15           2HB      GLN  15   0.697   7.512   0.455
  103    HB3  GLN  15           3HB      GLN  15  -1.064   7.361   0.551
  104    HG2  GLN  15           2HG      GLN  15  -1.178   9.879   0.683
  105    HG3  GLN  15           3HG      GLN  15   0.554   9.886   0.318
  106   HE21  GLN  15          2HE2      GLN  15   1.258   9.357  -1.912
  107   HE22  GLN  15          1HE2      GLN  15   0.066   9.079  -3.163
  108    H    LEU  16           H        LEU  16   1.592   6.019   2.191
  109    HA   LEU  16           HA       LEU  16   0.034   3.740   2.763
  110    HB2  LEU  16           2HB      LEU  16   2.969   4.435   2.793
  111    HB3  LEU  16           3HB      LEU  16   2.448   2.782   3.105
  112    HG   LEU  16           HG       LEU  16   1.731   4.327   0.577
  113   HD11  LEU  16          1HD1      LEU  16   4.170   4.045   0.695
  114   HD12  LEU  16          2HD1      LEU  16   3.968   2.297   0.990
  115   HD13  LEU  16          3HD1      LEU  16   3.480   3.007  -0.560
  116   HD21  LEU  16          3HD2      LEU  16   1.231   2.068  -0.308
  117   HD22  LEU  16          1HD2      LEU  16   1.653   1.366   1.252
  118   HD23  LEU  16          2HD2      LEU  16   0.233   2.439   1.102
  119    H    GLU  17           H        GLU  17   2.027   5.710   4.993
  120    HA   GLU  17           HA       GLU  17   1.928   3.968   7.177
  121    HB2  GLU  17           2HB      GLU  17   3.298   6.075   6.879
  122    HB3  GLU  17           3HB      GLU  17   1.883   7.005   7.380
  123    HG2  GLU  17           2HG      GLU  17   1.879   5.808   9.560
  124    HG3  GLU  17           3HG      GLU  17   3.219   4.796   9.022
  125    H    ASN  18           H        ASN  18  -0.631   6.092   6.007
  126    HA   ASN  18           HA       ASN  18  -2.270   6.038   8.386
  127    HB2  ASN  18           2HB      ASN  18  -2.791   6.687   5.475
  128    HB3  ASN  18           3HB      ASN  18  -4.117   6.533   6.602
  129   HD21  ASN  18          2HD2      ASN  18  -1.144   8.479   5.945
  130   HD22  ASN  18          1HD2      ASN  18  -1.663   9.802   6.963
  131    H    TYR  19           H        TYR  19  -1.575   3.499   6.148
  132    HA   TYR  19           HA       TYR  19  -3.904   1.930   7.169
  133    HB2  TYR  19           2HB      TYR  19  -2.232   1.115   4.815
  134    HB3  TYR  19           3HB      TYR  19  -3.858   0.615   5.233
  135    HD1  TYR  19           HD2      TYR  19  -5.788   2.323   4.917
  136    HD2  TYR  19           HD1      TYR  19  -1.796   2.986   3.476
  137    HE1  TYR  19           HE2      TYR  19  -6.621   4.143   3.430
  138    HE2  TYR  19           HE1      TYR  19  -2.588   4.784   1.989
  139    HH   TYR  19           HH       TYR  19  -4.428   6.022   1.296
  140    H    CYS  20           H        CYS  20  -0.916   2.487   8.146
  141    HA   CYS  20           HA       CYS  20   0.215  -0.176   8.496
  142    HB2  CYS  20           2HB      CYS  20   1.565   1.870   8.418
  143    HB3  CYS  20           3HB      CYS  20   0.746   2.489   9.850
  144    H    ASN  21           H        ASN  21   0.013  -1.570  10.266
  145    HA   ASN  21           HA       ASN  21  -2.282  -1.376  11.992
  146    HB2  ASN  21           2HB      ASN  21   0.219  -3.105  12.058
  147    HB3  ASN  21           3HB      ASN  21  -1.034  -3.225  13.281
  148   HD21  ASN  21          1HD2      ASN  21  -0.381  -5.447  11.827
  149   HD22  ASN  21          2HD2      ASN  21  -1.760  -5.861  10.813
  150    H1   PHE   1           H        PHE   1  11.358   0.599  -2.645
  151    HA   PHE   1           HA       PHE   1  10.450   1.194  -4.769
  152    HB2  PHE   1           2HB      PHE   1   8.036   1.254  -4.455
  153    HB3  PHE   1           3HB      PHE   1   8.799   0.065  -3.414
  154    HD1  PHE   1           HD1      PHE   1   7.214   3.407  -3.509
  155    HD2  PHE   1           HD2      PHE   1   8.746   0.281  -1.003
  156    HE1  PHE   1           HE1      PHE   1   6.148   4.492  -1.533
  157    HE2  PHE   1           HE2      PHE   1   7.692   1.355   0.990
  158    HZ   PHE   1           HZ       PHE   1   6.396   3.460   0.713
  159    H    VAL   2           H        VAL   2  10.399   3.735  -2.464
  160    HA   VAL   2           HA       VAL   2  10.712   5.949  -2.550
  161    HB   VAL   2           HB       VAL   2  11.002   5.759  -5.577
  162   HG11  VAL   2          1HG1      VAL   2  12.070   7.788  -3.555
  163   HG12  VAL   2          2HG1      VAL   2  12.404   7.778  -5.299
  164   HG13  VAL   2          3HG1      VAL   2  10.768   8.087  -4.719
  165   HG21  VAL   2          3HG2      VAL   2  12.602   4.194  -4.537
  166   HG22  VAL   2          1HG2      VAL   2  13.453   5.621  -5.123
  167   HG23  VAL   2          2HG2      VAL   2  13.113   5.449  -3.388
  168    H    ASN   3           H        ASN   3   8.548   5.063  -5.268
  169    HA   ASN   3           HA       ASN   3   6.394   6.790  -4.356
  170    HB2  ASN   3           2HB      ASN   3   6.328   8.293  -6.258
  171    HB3  ASN   3           3HB      ASN   3   7.784   8.498  -5.322
  172   HD21  ASN   3          2HD2      ASN   3   9.860   7.968  -6.302
  173   HD22  ASN   3          1HD2      ASN   3   9.966   7.672  -8.028
  174    H    GLN   4           H        GLN   4   5.990   6.580  -7.617
  175    HA   GLN   4           HA       GLN   4   5.232   5.206  -9.186
  176    HB2  GLN   4           2HB      GLN   4   5.701   2.844  -7.320
  177    HB3  GLN   4           3HB      GLN   4   5.426   2.797  -9.052
  178    HG2  GLN   4           2HG      GLN   4   7.514   4.099  -9.441
  179    HG3  GLN   4           3HG      GLN   4   7.821   4.110  -7.704
  180   HE21  GLN   4          2HE2      GLN   4   9.261   2.548  -7.029
  181   HE22  GLN   4          1HE2      GLN   4   9.521   1.029  -7.877
  182    H    HIS   5           H        HIS   5   3.464   3.891  -9.926
  183    HA   HIS   5           HA       HIS   5   0.973   4.417  -8.458
  184    HB2  HIS   5           2HB      HIS   5   1.448   3.224 -11.217
  185    HB3  HIS   5           3HB      HIS   5  -0.083   3.804 -10.569
  186    HD2  HIS   5           HD2      HIS   5   3.143   5.020 -12.203
  187    HE1  HIS   5           HE1      HIS   5   0.653   8.444 -11.773
  188    HE2  HIS   5           HE2      HIS   5   2.804   7.555 -12.810
  189    H    LEU   6           H        LEU   6   2.499   2.582  -7.094
  190    HA   LEU   6           HA       LEU   6   2.280  -0.136  -7.930
  191    HB2  LEU   6           2HB      LEU   6   3.160  -0.613  -5.609
  192    HB3  LEU   6           3HB      LEU   6   4.116   0.261  -6.788
  193    HG   LEU   6           HG       LEU   6   3.551   2.416  -5.560
  194   HD11  LEU   6          1HD1      LEU   6   2.928   2.076  -3.139
  195   HD12  LEU   6          2HD1      LEU   6   1.605   1.764  -4.272
  196   HD13  LEU   6          3HD1      LEU   6   2.490   0.409  -3.529
  197   HD21  LEU   6          3HD2      LEU   6   5.192   1.897  -3.761
  198   HD22  LEU   6          1HD2      LEU   6   5.077   0.175  -4.184
  199   HD23  LEU   6          2HD2      LEU   6   5.709   1.340  -5.361
  200    H    CYS   7           H        CYS   7   1.098  -1.796  -7.558
  201    HA   CYS   7           HA       CYS   7  -1.564  -1.464  -6.202
  202    HB2  CYS   7           2HB      CYS   7  -0.907  -2.872  -8.819
  203    HB3  CYS   7           3HB      CYS   7  -2.504  -2.728  -8.109
  204    H    GLY   8           H        GLY   8  -2.552  -3.488  -5.488
  205    HA2  GLY   8           HA2      GLY   8  -2.658  -5.674  -4.725
  206    HA3  GLY   8           HA3      GLY   8  -1.778  -6.029  -6.210
  207    H    SER   9           H        SER   9  -0.004  -7.203  -5.932
  208    HA   SER   9           HA       SER   9   1.239  -7.841  -3.441
  209    HB2  SER   9           2HB      SER   9   3.070  -8.705  -4.949
  210    HB3  SER   9           3HB      SER   9   1.451  -9.351  -5.255
  211    HG   SER   9           HG       SER   9   2.537  -8.752  -7.206
  212    H    HIS  10           H        HIS  10   2.407  -5.609  -6.041
  213    HA   HIS  10           HA       HIS  10   4.638  -4.535  -4.730
  214    HB2  HIS  10           2HB      HIS  10   3.449  -4.093  -7.135
  215    HB3  HIS  10           3HB      HIS  10   2.823  -2.705  -6.270
  216    HD2  HIS  10           HD2      HIS  10   5.782  -2.285  -4.640
  217    HE1  HIS  10           HE1      HIS  10   6.987  -1.121  -8.547
  218    HE2  HIS  10           HE2      HIS  10   7.582  -1.028  -6.071
  219    H    LEU  11           H        LEU  11   1.212  -3.616  -4.372
  220    HA   LEU  11           HA       LEU  11   1.718  -1.376  -2.624
  221    HB2  LEU  11           2HB      LEU  11  -0.236  -1.583  -4.093
  222    HB3  LEU  11           3HB      LEU  11  -0.838  -2.941  -3.145
  223    HG   LEU  11           HG       LEU  11  -1.238  -1.484  -1.228
  224   HD11  LEU  11          1HD1      LEU  11   0.578   0.137  -1.412
  225   HD12  LEU  11          2HD1      LEU  11  -0.045   0.711  -2.975
  226   HD13  LEU  11          3HD1      LEU  11  -0.955   1.014  -1.489
  227   HD21  LEU  11          3HD2      LEU  11  -2.277  -0.187  -3.796
  228   HD22  LEU  11          1HD2      LEU  11  -2.926  -1.678  -3.096
  229   HD23  LEU  11          2HD2      LEU  11  -3.049  -0.165  -2.197
  230    H    VAL  12           H        VAL  12   0.871  -4.793  -2.012
  231    HA   VAL  12           HA       VAL  12   0.865  -4.639   0.867
  232    HB   VAL  12           HB       VAL  12   1.441  -6.911  -1.081
  233   HG11  VAL  12          1HG1      VAL  12   1.302  -8.523   0.795
  234   HG12  VAL  12          2HG1      VAL  12   2.758  -7.537   0.860
  235   HG13  VAL  12          3HG1      VAL  12   1.402  -7.181   1.948
  236   HG21  VAL  12          3HG2      VAL  12  -0.888  -6.410   0.811
  237   HG22  VAL  12          1HG2      VAL  12  -0.895  -6.196  -0.945
  238   HG23  VAL  12          2HG2      VAL  12  -0.689  -7.808  -0.264
  239    H    GLU  13           H        GLU  13   3.552  -5.265  -1.453
  240    HA   GLU  13           HA       GLU  13   5.610  -5.539   0.512
  241    HB2  GLU  13           2HB      GLU  13   5.855  -4.446  -2.334
  242    HB3  GLU  13           3HB      GLU  13   7.185  -4.907  -1.272
  243    HG2  GLU  13           3HG      GLU  13   5.922  -7.208  -1.144
  244    HG3  GLU  13           2HG      GLU  13   5.178  -6.682  -2.653
  245    H    ALA  14           H        ALA  14   4.461  -2.629  -1.230
  246    HA   ALA  14           HA       ALA  14   6.235  -0.756  -0.066
  247    HB1  ALA  14           3HB      ALA  14   4.735  -0.412  -2.066
  248    HB2  ALA  14           1HB      ALA  14   3.352  -0.283  -0.963
  249    HB3  ALA  14           2HB      ALA  14   4.671   0.904  -0.873
  250    H    LEU  15           H        LEU  15   2.892  -1.634   0.985
  251    HA   LEU  15           HA       LEU  15   2.856  -0.056   3.331
  252    HB2  LEU  15           2HB      LEU  15   1.482  -2.652   2.545
  253    HB3  LEU  15           3HB      LEU  15   1.260  -1.924   4.146
  254    HG   LEU  15           HG       LEU  15   0.531  -0.539   1.567
  255   HD11  LEU  15          1HD1      LEU  15  -1.774  -1.123   2.208
  256   HD12  LEU  15          2HD1      LEU  15  -0.785  -2.578   2.028
  257   HD13  LEU  15          3HD1      LEU  15  -1.183  -1.963   3.645
  258   HD21  LEU  15          3HD2      LEU  15   1.015   1.019   3.493
  259   HD22  LEU  15          1HD2      LEU  15  -0.696   0.993   3.071
  260   HD23  LEU  15          2HD2      LEU  15  -0.112   0.100   4.497
  261    H    TYR  16           H        TYR  16   4.059  -3.427   2.944
  262    HA   TYR  16           HA       TYR  16   4.801  -3.753   5.701
  263    HB2  TYR  16           2HB      TYR  16   4.618  -5.696   4.337
  264    HB3  TYR  16           3HB      TYR  16   5.720  -5.053   3.122
  265    HD1  TYR  16           HD1      TYR  16   5.589  -6.140   6.718
  266    HD2  TYR  16           HD2      TYR  16   8.053  -5.426   3.250
  267    HE1  TYR  16           HE1      TYR  16   7.562  -7.015   7.946
  268    HE2  TYR  16           HE2      TYR  16  10.035  -6.283   4.476
  269    HH   TYR  16           HH       TYR  16   9.823  -7.471   7.866
  270    H    LEU  17           H        LEU  17   6.717  -2.517   2.900
  271    HA   LEU  17           HA       LEU  17   9.133  -2.145   4.408
  272    HB2  LEU  17           2HB      LEU  17   8.086  -0.972   1.815
  273    HB3  LEU  17           3HB      LEU  17   9.685  -0.584   2.445
  274    HG   LEU  17           HG       LEU  17   8.794  -3.445   1.880
  275   HD11  LEU  17          1HD1      LEU  17   8.734  -2.119  -0.191
  276   HD12  LEU  17          2HD1      LEU  17  10.384  -1.529   0.124
  277   HD13  LEU  17          3HD1      LEU  17  10.094  -3.253  -0.208
  278   HD21  LEU  17          3HD2      LEU  17  11.548  -2.216   2.339
  279   HD22  LEU  17          1HD2      LEU  17  10.689  -3.317   3.441
  280   HD23  LEU  17          2HD2      LEU  17  11.233  -3.900   1.867
  281    H    VAL  18           H        VAL  18   6.394   0.061   3.852
  282    HA   VAL  18           HA       VAL  18   7.580   2.291   5.298
  283    HB   VAL  18           HB       VAL  18   4.675   1.631   4.669
  284   HG11  VAL  18          1HG1      VAL  18   5.841   4.237   5.757
  285   HG12  VAL  18          2HG1      VAL  18   4.202   4.032   5.108
  286   HG13  VAL  18          3HG1      VAL  18   4.665   3.183   6.582
  287   HG21  VAL  18          3HG2      VAL  18   6.102   2.052   2.701
  288   HG22  VAL  18          1HG2      VAL  18   4.961   3.358   2.943
  289   HG23  VAL  18          2HG2      VAL  18   6.659   3.580   3.411
  290    H    CYS  19           H        CYS  19   5.139  -0.146   6.245
  291    HA   CYS  19           HA       CYS  19   4.870   0.883   8.933
  292    HB2  CYS  19           2HB      CYS  19   3.109  -0.183   7.451
  293    HB3  CYS  19           3HB      CYS  19   3.890  -1.729   7.731
  294    H    GLY  20           H        GLY  20   6.847  -1.703   7.628
  295    HA2  GLY  20           HA2      GLY  20   8.569  -2.917   8.635
  296    HA3  GLY  20           HA3      GLY  20   8.131  -2.246  10.220
  297    H    GLU  21           H        GLU  21   8.471  -4.404  10.977
  298    HA   GLU  21           HA       GLU  21   6.989  -6.683  10.200
  299    HB2  GLU  21           2HB      GLU  21   7.830  -7.706  12.218
  300    HB3  GLU  21           3HB      GLU  21   9.091  -6.748  11.451
  301    HG2  GLU  21           2HG      GLU  21   8.682  -4.909  13.099
  302    HG3  GLU  21           3HG      GLU  21   7.438  -5.894  13.874
  303    H    ARG  22           H        ARG  22   5.698  -3.982  11.703
  304    HA   ARG  22           HA       ARG  22   3.731  -5.012  13.499
  305    HB2  ARG  22           2HB      ARG  22   3.665  -2.593  11.660
  306    HB3  ARG  22           3HB      ARG  22   2.564  -2.868  13.014
  307    HG2  ARG  22           2HG      ARG  22   4.463  -2.733  14.595
  308    HG3  ARG  22           3HG      ARG  22   5.583  -2.475  13.241
  309    HD2  ARG  22           2HD      ARG  22   4.303  -0.420  12.599
  310    HD3  ARG  22           3HD      ARG  22   3.250  -0.668  13.990
  311    HE   ARG  22           HE       ARG  22   4.919   0.040  15.437
  312   HH11  ARG  22          1HH1      ARG  22   6.358  -0.199  12.190
  313   HH12  ARG  22          2HH1      ARG  22   7.792   0.652  12.691
  314   HH21  ARG  22          1HH2      ARG  22   6.792   1.122  15.981
  315   HH22  ARG  22          2HH2      ARG  22   8.033   1.385  14.795
  316    H    GLY  23           H        GLY  23   3.828  -4.885   9.971
  317    HA2  GLY  23           HA2      GLY  23   2.462  -5.882   8.364
  318    HA3  GLY  23           HA3      GLY  23   1.436  -6.543   9.652
  319    H    HIS  24           H        HIS  24  -0.087  -5.903   7.807
  320    HA   HIS  24           HA       HIS  24  -1.429  -3.378   8.498
  321    HB2  HIS  24           2HB      HIS  24  -1.439  -2.617   6.122
  322    HB3  HIS  24           3HB      HIS  24   0.137  -2.551   6.897
  323    HD2  HIS  24           HD2      HIS  24   2.095  -3.790   5.753
  324    HE1  HIS  24           HE1      HIS  24  -0.086  -5.801   2.711
  325    HE2  HIS  24           HE2      HIS  24   2.244  -5.258   3.571
  326    H    PHE  25           H        PHE  25  -3.523  -3.139   7.566
  327    HA   PHE  25           HA       PHE  25  -4.922  -5.717   7.515
  328    HB2  PHE  25           2HB      PHE  25  -6.906  -4.300   7.924
  329    HB3  PHE  25           3HB      PHE  25  -5.624  -4.078   9.093
  330    HD1  PHE  25           HD2      PHE  25  -7.171  -2.539   6.037
  331    HD2  PHE  25           HD1      PHE  25  -4.723  -1.906   9.541
  332    HE1  PHE  25           HE2      PHE  25  -7.263  -0.089   5.664
  333    HE2  PHE  25           HE1      PHE  25  -4.855   0.542   9.180
  334    HZ   PHE  25           HZ       PHE  25  -6.154   1.457   7.263
  335    H    TYR  26           H        TYR  26  -3.793  -3.732   5.014
  336    HA   TYR  26           HA       TYR  26  -6.019  -3.678   3.233
  337    HB2  TYR  26           2HB      TYR  26  -4.209  -2.203   2.827
  338    HB3  TYR  26           3HB      TYR  26  -3.026  -3.503   2.914
  339    HD1  TYR  26           HD1      TYR  26  -6.133  -2.870   0.833
  340    HD2  TYR  26           HD2      TYR  26  -1.972  -4.000   0.910
  341    HE1  TYR  26           HE1      TYR  26  -6.206  -3.326  -1.606
  342    HE2  TYR  26           HE2      TYR  26  -2.003  -4.309  -1.536
  343    HH   TYR  26           HH       TYR  26  -5.015  -3.943  -3.470
  344    H    THR  27           H        THR  27  -3.594  -6.183   3.747
  345    HA   THR  27           HA       THR  27  -3.018  -7.478   1.624
  346    HB   THR  27           HB       THR  27  -3.318  -9.733   2.760
  347    HG1  THR  27           HG1      THR  27  -3.884  -9.590   4.945
  348   HG21  THR  27          1HG2      THR  27  -1.253  -8.356   2.876
  349   HG22  THR  27          2HG2      THR  27  -1.917  -7.480   4.275
  350   HG23  THR  27          3HG2      THR  27  -1.560  -9.215   4.391
  351    HA   PRO  28           HA       PRO  28  -6.928  -7.691  -0.436
  352    HB2  PRO  28           2HB      PRO  28  -6.140  -7.960  -3.032
  353    HB3  PRO  28           3HB      PRO  28  -5.904  -6.460  -2.083
  354    HG2  PRO  28           2HG      PRO  28  -3.898  -8.690  -2.562
  355    HG3  PRO  28           3HG      PRO  28  -3.659  -6.925  -2.774
  356    HD2  PRO  28           2HD      PRO  28  -2.902  -8.219  -0.506
  357    HD3  PRO  28           3HD      PRO  28  -3.580  -6.562  -0.442
  358    H    LYS  29           H        LYS  29  -8.315  -9.146  -1.605
  359    HA   LYS  29           HA       LYS  29  -7.814 -11.942  -0.996
  360    HB2  LYS  29           2HB      LYS  29 -10.174 -12.243  -1.488
  361    HB3  LYS  29           3HB      LYS  29  -9.933 -10.848  -0.442
  362    HG2  LYS  29           2HG      LYS  29 -10.207  -9.319  -2.385
  363    HG3  LYS  29           3HG      LYS  29 -10.420 -10.716  -3.458
  364    HD2  LYS  29           2HD      LYS  29 -12.420 -11.406  -2.167
  365    HD3  LYS  29           3HD      LYS  29 -12.208 -10.006  -1.092
  366    HE2  LYS  29           2HE      LYS  29 -12.457  -8.478  -3.040
  367    HE3  LYS  29           3HE      LYS  29 -12.664  -9.869  -4.112
  368    HZ1  LYS  29           HZ1      LYS  29 -14.677 -10.442  -2.870
  369    HZ2  LYS  29           HZ2      LYS  29 -14.487  -9.155  -1.880
  370    HZ3  LYS  29           HZ3      LYS  29 -14.800  -8.927  -3.466
  371    H    THR  30           H        THR  30  -6.341 -10.723  -3.156
  372    HA   THR  30           HA       THR  30  -5.160 -11.438  -4.977
  373    HB   THR  30           HB       THR  30  -7.063 -13.780  -5.324
  374    HG1  THR  30           HG1      THR  30  -4.605 -13.535  -3.907
  375   HG21  THR  30          1HG2      THR  30  -5.661 -13.384  -7.296
  376   HG22  THR  30          2HG2      THR  30  -4.209 -13.281  -6.279
  377   HG23  THR  30          3HG2      THR  30  -5.100 -14.814  -6.425
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1 -11.541   4.618  -0.203
    2    H2   GLY   1           2H       GLY   1 -10.886   4.981   1.260
    3    H3   GLY   1           3H       GLY   1 -12.230   4.043   1.165
    4    HA2  GLY   1           HA2      GLY   1 -10.390   2.622   1.630
    5    HA3  GLY   1           HA3      GLY   1 -10.991   2.323  -0.011
    6    H    ILE   2           H        ILE   2  -8.624   1.405   0.238
    7    HA   ILE   2           HA       ILE   2  -6.497   3.416  -0.080
    8    HB   ILE   2           HB       ILE   2  -6.186   1.567   1.413
    9   HG12  ILE   2          2HG1      ILE   2  -4.277   1.381  -0.960
   10   HG13  ILE   2          3HG1      ILE   2  -4.248   2.618   0.293
   11   HG21  ILE   2          1HG2      ILE   2  -7.509  -0.197   0.124
   12   HG22  ILE   2          2HG2      ILE   2  -6.067  -0.394  -0.903
   13   HG23  ILE   2          3HG2      ILE   2  -5.991  -0.715   0.836
   14   HD11  ILE   2          3HD1      ILE   2  -2.602   1.068   0.948
   15   HD12  ILE   2          1HD1      ILE   2  -3.984   0.668   1.981
   16   HD13  ILE   2          2HD1      ILE   2  -3.621  -0.335   0.559
   17    H    VAL   3           H        VAL   3  -7.681   0.752  -2.289
   18    HA   VAL   3           HA       VAL   3  -5.712   1.285  -4.198
   19    HB   VAL   3           HB       VAL   3  -7.148  -0.067  -5.675
   20   HG11  VAL   3          1HG1      VAL   3  -6.837  -2.157  -4.491
   21   HG12  VAL   3          2HG1      VAL   3  -5.472  -1.075  -4.163
   22   HG13  VAL   3          3HG1      VAL   3  -6.743  -1.304  -2.941
   23   HG21  VAL   3          3HG2      VAL   3  -9.088  -0.286  -3.352
   24   HG22  VAL   3          1HG2      VAL   3  -9.401   0.543  -4.893
   25   HG23  VAL   3          2HG2      VAL   3  -9.145  -1.205  -4.866
   26    H    GLU   4           H        GLU   4  -8.852   2.857  -3.787
   27    HA   GLU   4           HA       GLU   4  -8.887   4.172  -6.352
   28    HB2  GLU   4           2HB      GLU   4 -10.682   5.459  -5.514
   29    HB3  GLU   4           3HB      GLU   4 -10.870   3.818  -4.894
   30    HG2  GLU   4           2HG      GLU   4  -9.769   4.622  -2.737
   31    HG3  GLU   4           3HG      GLU   4  -9.873   6.266  -3.377
   32    H    GLN   5           H        GLN   5  -6.730   4.558  -3.799
   33    HA   GLN   5           HA       GLN   5  -5.921   7.302  -4.713
   34    HB2  GLN   5           2HB      GLN   5  -5.551   5.967  -1.982
   35    HB3  GLN   5           3HB      GLN   5  -4.887   7.530  -2.466
   36    HG2  GLN   5           2HG      GLN   5  -7.178   8.427  -2.766
   37    HG3  GLN   5           3HG      GLN   5  -7.862   6.862  -2.319
   38   HE21  GLN   5          2HE2      GLN   5  -7.867   6.194  -0.076
   39   HE22  GLN   5          1HE2      GLN   5  -7.476   7.371   1.174
   40    H    CYS   6           H        CYS   6  -4.564   4.333  -3.165
   41    HA   CYS   6           HA       CYS   6  -1.905   5.061  -3.950
   42    HB2  CYS   6           2HB      CYS   6  -2.735   3.886  -1.849
   43    HB3  CYS   6           3HB      CYS   6  -2.917   2.435  -2.837
   44    H    CYS   7           H        CYS   7  -4.197   2.740  -5.291
   45    HA   CYS   7           HA       CYS   7  -2.228   1.733  -7.270
   46    HB2  CYS   7           2HB      CYS   7  -3.767   0.160  -6.223
   47    HB3  CYS   7           3HB      CYS   7  -5.152   1.080  -6.781
   48    H    THR   8           H        THR   8  -4.743   4.125  -7.034
   49    HA   THR   8           HA       THR   8  -5.135   4.463  -9.928
   50    HB   THR   8           HB       THR   8  -6.207   5.962  -7.510
   51    HG1  THR   8           HG1      THR   8  -6.904   3.796  -7.772
   52   HG21  THR   8          1HG2      THR   8  -7.003   6.153 -10.452
   53   HG22  THR   8          2HG2      THR   8  -7.960   6.786  -9.092
   54   HG23  THR   8          3HG2      THR   8  -6.366   7.466  -9.433
   55    H    SER   9           H        SER   9  -3.311   6.156  -7.364
   56    HA   SER   9           HA       SER   9  -1.957   7.757  -9.484
   57    HB2  SER   9           2HB      SER   9  -3.799   9.051  -8.308
   58    HB3  SER   9           3HB      SER   9  -2.829   8.923  -6.829
   59    HG   SER   9           HG       SER   9  -2.458  10.880  -8.081
   60    H    ILE  10           H        ILE  10  -0.149   9.095  -8.121
   61    HA   ILE  10           HA       ILE  10   1.874   7.134  -7.448
   62    HB   ILE  10           HB       ILE  10   1.807  10.155  -7.075
   63   HG12  ILE  10          2HG1      ILE  10   1.653   9.526  -9.443
   64   HG13  ILE  10          3HG1      ILE  10   3.171  10.315  -9.071
   65   HG21  ILE  10          1HG2      ILE  10   4.321   9.978  -6.962
   66   HG22  ILE  10          2HG2      ILE  10   3.474   9.335  -5.556
   67   HG23  ILE  10          3HG2      ILE  10   4.133   8.222  -6.767
   68   HD11  ILE  10          3HD1      ILE  10   2.801   7.315  -9.474
   69   HD12  ILE  10          1HD1      ILE  10   3.509   8.457 -10.625
   70   HD13  ILE  10          2HD1      ILE  10   4.345   8.126  -9.099
   71    H    CYS  11           H        CYS  11   2.514   6.291  -5.594
   72    HA   CYS  11           HA       CYS  11   1.263   7.186  -3.032
   73    HB2  CYS  11           2HB      CYS  11   0.120   5.306  -4.275
   74    HB3  CYS  11           3HB      CYS  11   1.560   4.339  -4.014
   75    H    SER  12           H        SER  12   2.781   7.659  -1.605
   76    HA   SER  12           HA       SER  12   5.346   6.096  -1.485
   77    HB2  SER  12           2HB      SER  12   4.836   9.064  -1.157
   78    HB3  SER  12           3HB      SER  12   6.391   8.275  -0.848
   79    HG   SER  12           HG       SER  12   6.406   9.043  -2.969
   80    H    LEU  13           H        LEU  13   6.556   6.646   0.649
   81    HA   LEU  13           HA       LEU  13   5.419   5.229   2.663
   82    HB2  LEU  13           2HB      LEU  13   7.202   6.055   4.092
   83    HB3  LEU  13           3HB      LEU  13   7.752   5.685   2.467
   84    HG   LEU  13           HG       LEU  13   7.311   8.391   2.212
   85   HD11  LEU  13          1HD1      LEU  13   8.199   9.547   4.163
   86   HD12  LEU  13          2HD1      LEU  13   6.775   8.629   4.670
   87   HD13  LEU  13          3HD1      LEU  13   8.392   8.014   5.042
   88   HD21  LEU  13          3HD2      LEU  13   9.850   7.052   3.230
   89   HD22  LEU  13          1HD2      LEU  13   9.339   7.187   1.532
   90   HD23  LEU  13          2HD2      LEU  13   9.750   8.645   2.448
   91    H    TYR  14           H        TYR  14   5.151   8.770   2.504
   92    HA   TYR  14           HA       TYR  14   3.887   9.012   5.085
   93    HB2  TYR  14           2HB      TYR  14   3.392  11.348   4.176
   94    HB3  TYR  14           3HB      TYR  14   5.092  10.868   4.260
   95    HD1  TYR  14           HD2      TYR  14   2.222  11.401   1.961
   96    HD2  TYR  14           HD1      TYR  14   6.467  10.756   2.304
   97    HE1  TYR  14           HE2      TYR  14   2.462  11.764  -0.479
   98    HE2  TYR  14           HE1      TYR  14   6.738  11.187  -0.120
   99    HH   TYR  14           HH       TYR  14   3.936  11.959  -2.249
  100    H    GLN  15           H        GLN  15   2.626   8.246   1.954
  101    HA   GLN  15           HA       GLN  15  -0.234   8.760   2.676
  102    HB2  GLN  15           2HB      GLN  15   1.256   7.651   0.278
  103    HB3  GLN  15           3HB      GLN  15  -0.495   7.553   0.394
  104    HG2  GLN  15           2HG      GLN  15  -0.785   9.881   0.202
  105    HG3  GLN  15           3HG      GLN  15   0.906  10.219   0.563
  106   HE21  GLN  15          2HE2      GLN  15  -1.319   9.594  -2.054
  107   HE22  GLN  15          1HE2      GLN  15  -0.082   9.335  -3.287
  108    H    LEU  16           H        LEU  16   2.042   6.041   2.006
  109    HA   LEU  16           HA       LEU  16   0.319   3.884   2.486
  110    HB2  LEU  16           2HB      LEU  16   3.291   4.347   2.766
  111    HB3  LEU  16           3HB      LEU  16   2.611   2.750   3.006
  112    HG   LEU  16           HG       LEU  16   2.251   4.343   0.424
  113   HD11  LEU  16          1HD1      LEU  16   4.270   2.164   1.112
  114   HD12  LEU  16          2HD1      LEU  16   4.023   2.896  -0.493
  115   HD13  LEU  16          3HD1      LEU  16   4.640   3.880   0.838
  116   HD21  LEU  16          3HD2      LEU  16   1.665   2.154  -0.533
  117   HD22  LEU  16          1HD2      LEU  16   1.930   1.379   1.034
  118   HD23  LEU  16          2HD2      LEU  16   0.576   2.516   0.820
  119    H    GLU  17           H        GLU  17   2.214   5.774   4.824
  120    HA   GLU  17           HA       GLU  17   1.880   4.169   7.075
  121    HB2  GLU  17           2HB      GLU  17   3.284   6.264   6.753
  122    HB3  GLU  17           3HB      GLU  17   1.837   7.212   7.104
  123    HG2  GLU  17           2HG      GLU  17   1.679   6.125   9.328
  124    HG3  GLU  17           3HG      GLU  17   3.052   5.088   8.932
  125    H    ASN  18           H        ASN  18  -0.553   6.204   5.538
  126    HA   ASN  18           HA       ASN  18  -2.380   6.373   7.769
  127    HB2  ASN  18           2HB      ASN  18  -2.882   6.542   4.766
  128    HB3  ASN  18           3HB      ASN  18  -4.068   6.907   5.993
  129   HD21  ASN  18          2HD2      ASN  18  -1.195   8.036   4.412
  130   HD22  ASN  18          1HD2      ASN  18  -1.135   9.627   5.171
  131    H    TYR  19           H        TYR  19  -1.583   3.725   5.686
  132    HA   TYR  19           HA       TYR  19  -3.975   2.188   6.599
  133    HB2  TYR  19           2HB      TYR  19  -2.162   1.304   4.383
  134    HB3  TYR  19           3HB      TYR  19  -3.841   0.893   4.668
  135    HD1  TYR  19           HD2      TYR  19  -5.637   2.738   4.208
  136    HD2  TYR  19           HD1      TYR  19  -1.523   3.090   3.026
  137    HE1  TYR  19           HE2      TYR  19  -6.249   4.554   2.616
  138    HE2  TYR  19           HE1      TYR  19  -2.100   4.909   1.444
  139    HH   TYR  19           HH       TYR  19  -5.485   6.063   1.039
  140    H    CYS  20           H        CYS  20  -1.086   2.774   7.782
  141    HA   CYS  20           HA       CYS  20   0.032   0.111   8.240
  142    HB2  CYS  20           2HB      CYS  20   1.429   2.091   8.133
  143    HB3  CYS  20           3HB      CYS  20   0.563   2.821   9.482
  144    H    ASN  21           H        ASN  21  -0.234  -1.211  10.045
  145    HA   ASN  21           HA       ASN  21  -2.574  -0.988  11.703
  146    HB2  ASN  21           2HB      ASN  21  -0.049  -2.680  11.866
  147    HB3  ASN  21           3HB      ASN  21  -1.314  -2.774  13.081
  148   HD21  ASN  21          1HD2      ASN  21  -0.617  -5.039  11.695
  149   HD22  ASN  21          2HD2      ASN  21  -1.987  -5.499  10.691
  150    H1   PHE   1           H        PHE   1  11.488   0.774  -2.549
  151    HA   PHE   1           HA       PHE   1  10.107   0.376  -5.025
  152    HB2  PHE   1           2HB      PHE   1   7.868   0.862  -4.437
  153    HB3  PHE   1           3HB      PHE   1   8.409  -0.496  -3.475
  154    HD1  PHE   1           HD2      PHE   1   9.089  -0.111  -1.065
  155    HD2  PHE   1           HD1      PHE   1   7.043   2.840  -3.418
  156    HE1  PHE   1           HE2      PHE   1   8.346   1.042   1.026
  157    HE2  PHE   1           HE1      PHE   1   6.286   3.984  -1.340
  158    HZ   PHE   1           HZ       PHE   1   6.926   3.054   0.891
  159    H    VAL   2           H        VAL   2   9.083   2.397  -5.844
  160    HA   VAL   2           HA       VAL   2  10.815   4.762  -5.178
  161    HB   VAL   2           HB       VAL   2   9.589   4.020  -7.871
  162   HG11  VAL   2          1HG1      VAL   2  11.449   5.512  -8.760
  163   HG12  VAL   2          2HG1      VAL   2  10.195   6.369  -7.895
  164   HG13  VAL   2          3HG1      VAL   2  11.748   6.031  -7.090
  165   HG21  VAL   2          3HG2      VAL   2  11.880   3.277  -8.543
  166   HG22  VAL   2          1HG2      VAL   2  12.411   3.448  -6.857
  167   HG23  VAL   2          2HG2      VAL   2  11.185   2.240  -7.308
  168    H    ASN   3           H        ASN   3   9.692   6.903  -6.027
  169    HA   ASN   3           HA       ASN   3   6.921   7.224  -5.175
  170    HB2  ASN   3           2HB      ASN   3   8.651   8.934  -7.018
  171    HB3  ASN   3           3HB      ASN   3   7.089   9.393  -6.350
  172   HD21  ASN   3          2HD2      ASN   3  10.529   9.227  -5.726
  173   HD22  ASN   3          1HD2      ASN   3  10.442   9.860  -4.094
  174    H    GLN   4           H        GLN   4   5.477   5.853  -6.180
  175    HA   GLN   4           HA       GLN   4   5.164   5.857  -9.115
  176    HB2  GLN   4           2HB      GLN   4   5.666   3.545  -9.412
  177    HB3  GLN   4           3HB      GLN   4   7.039   4.237  -8.556
  178    HG2  GLN   4           2HG      GLN   4   5.976   3.344  -6.382
  179    HG3  GLN   4           3HG      GLN   4   4.809   2.518  -7.386
  180   HE21  GLN   4          2HE2      GLN   4   5.549   0.756  -8.798
  181   HE22  GLN   4          1HE2      GLN   4   7.066  -0.040  -8.416
  182    H    HIS   5           H        HIS   5   3.356   4.363  -9.790
  183    HA   HIS   5           HA       HIS   5   1.073   4.335  -7.939
  184    HB2  HIS   5           2HB      HIS   5   1.393   2.970 -10.639
  185    HB3  HIS   5           3HB      HIS   5  -0.106   3.313  -9.783
  186    HD2  HIS   5           HD2      HIS   5   2.552   4.937 -12.011
  187    HE1  HIS   5           HE1      HIS   5  -0.559   7.806 -11.587
  188    HE2  HIS   5           HE2      HIS   5   1.603   7.252 -12.814
  189    H    LEU   6           H        LEU   6   0.582   2.631  -6.557
  190    HA   LEU   6           HA       LEU   6   2.270   0.141  -6.738
  191    HB2  LEU   6           2HB      LEU   6   1.124   1.650  -4.361
  192    HB3  LEU   6           3HB      LEU   6   1.847   0.050  -4.253
  193    HG   LEU   6           HG       LEU   6   3.350   2.546  -5.155
  194   HD11  LEU   6          1HD1      LEU   6   2.680   2.679  -2.804
  195   HD12  LEU   6          2HD1      LEU   6   3.262   1.029  -2.529
  196   HD13  LEU   6          3HD1      LEU   6   4.415   2.331  -2.908
  197   HD21  LEU   6          3HD2      LEU   6   5.363   1.133  -4.799
  198   HD22  LEU   6          1HD2      LEU   6   4.324  -0.258  -4.437
  199   HD23  LEU   6          2HD2      LEU   6   4.342   0.447  -6.069
  200    H    CYS   7           H        CYS   7   1.245  -1.736  -7.054
  201    HA   CYS   7           HA       CYS   7  -1.445  -2.286  -6.107
  202    HB2  CYS   7           2HB      CYS   7  -1.521  -0.649  -8.216
  203    HB3  CYS   7           3HB      CYS   7  -1.317  -2.139  -9.111
  204    H    GLY   8           H        GLY   8  -2.312  -4.366  -6.967
  205    HA2  GLY   8           HA2      GLY   8  -2.230  -6.563  -7.640
  206    HA3  GLY   8           HA3      GLY   8  -0.692  -6.219  -8.458
  207    H    SER   9           H        SER   9   0.976  -5.589  -6.510
  208    HA   SER   9           HA       SER   9   0.966  -7.441  -4.221
  209    HB2  SER   9           2HB      SER   9   1.717  -8.882  -6.118
  210    HB3  SER   9           3HB      SER   9   3.051  -7.755  -6.420
  211    HG   SER   9           HG       SER   9   3.658  -9.566  -5.094
  212    H    HIS  10           H        HIS  10   2.889  -5.172  -6.265
  213    HA   HIS  10           HA       HIS  10   4.848  -4.364  -4.562
  214    HB2  HIS  10           2HB      HIS  10   3.804  -3.527  -7.010
  215    HB3  HIS  10           3HB      HIS  10   3.557  -2.102  -5.998
  216    HD2  HIS  10           HD2      HIS  10   6.096  -1.842  -4.334
  217    HE1  HIS  10           HE1      HIS  10   8.368  -2.365  -7.895
  218    HE2  HIS  10           HE2      HIS  10   8.454  -1.558  -5.482
  219    H    LEU  11           H        LEU  11   1.489  -3.306  -4.381
  220    HA   LEU  11           HA       LEU  11   1.747  -1.237  -2.420
  221    HB2  LEU  11           2HB      LEU  11  -0.238  -2.190  -4.044
  222    HB3  LEU  11           3HB      LEU  11  -0.729  -2.939  -2.544
  223    HG   LEU  11           HG       LEU  11  -0.367   0.028  -3.121
  224   HD11  LEU  11          1HD1      LEU  11  -2.408  -1.065  -4.074
  225   HD12  LEU  11          2HD1      LEU  11  -2.875  -1.559  -2.435
  226   HD13  LEU  11          3HD1      LEU  11  -2.791   0.158  -2.854
  227   HD21  LEU  11          3HD2      LEU  11   0.246  -0.262  -0.801
  228   HD22  LEU  11          1HD2      LEU  11  -1.372   0.423  -0.871
  229   HD23  LEU  11          2HD2      LEU  11  -1.173  -1.306  -0.511
  230    H    VAL  12           H        VAL  12   1.397  -4.772  -2.061
  231    HA   VAL  12           HA       VAL  12   1.008  -4.686   0.840
  232    HB   VAL  12           HB       VAL  12   1.820  -6.965  -1.041
  233   HG11  VAL  12          1HG1      VAL  12   2.599  -7.563   1.202
  234   HG12  VAL  12          2HG1      VAL  12   0.994  -7.221   1.876
  235   HG13  VAL  12          3HG1      VAL  12   1.220  -8.553   0.735
  236   HG21  VAL  12          3HG2      VAL  12  -0.447  -6.185  -1.498
  237   HG22  VAL  12          1HG2      VAL  12  -0.496  -7.771  -0.732
  238   HG23  VAL  12          2HG2      VAL  12  -0.870  -6.321   0.227
  239    H    GLU  13           H        GLU  13   3.731  -5.326  -1.365
  240    HA   GLU  13           HA       GLU  13   5.731  -5.808   0.612
  241    HB2  GLU  13           2HB      GLU  13   6.063  -4.537  -2.137
  242    HB3  GLU  13           3HB      GLU  13   7.343  -5.250  -1.156
  243    HG2  GLU  13           3HG      GLU  13   4.964  -6.801  -2.287
  244    HG3  GLU  13           2HG      GLU  13   6.536  -6.670  -3.045
  245    H    ALA  14           H        ALA  14   4.770  -2.756  -1.028
  246    HA   ALA  14           HA       ALA  14   6.600  -1.032   0.302
  247    HB1  ALA  14           3HB      ALA  14   3.841  -0.473  -0.878
  248    HB2  ALA  14           1HB      ALA  14   5.104   0.730  -0.553
  249    HB3  ALA  14           2HB      ALA  14   5.370  -0.497  -1.797
  250    H    LEU  15           H        LEU  15   3.127  -1.742   1.075
  251    HA   LEU  15           HA       LEU  15   3.012  -0.160   3.426
  252    HB2  LEU  15           2HB      LEU  15   1.542  -2.671   2.558
  253    HB3  LEU  15           3HB      LEU  15   1.238  -1.893   4.118
  254    HG   LEU  15           HG       LEU  15   0.828  -0.508   1.473
  255   HD11  LEU  15          1HD1      LEU  15  -1.173  -1.810   3.369
  256   HD12  LEU  15          2HD1      LEU  15  -1.565  -0.907   1.896
  257   HD13  LEU  15          3HD1      LEU  15  -0.679  -2.435   1.778
  258   HD21  LEU  15          3HD2      LEU  15   1.230   1.034   3.401
  259   HD22  LEU  15          1HD2      LEU  15  -0.431   1.113   2.819
  260   HD23  LEU  15          2HD2      LEU  15  -0.048   0.217   4.310
  261    H    TYR  16           H        TYR  16   4.097  -3.561   3.032
  262    HA   TYR  16           HA       TYR  16   4.667  -3.948   5.826
  263    HB2  TYR  16           2HB      TYR  16   4.430  -5.865   4.412
  264    HB3  TYR  16           3HB      TYR  16   5.677  -5.294   3.302
  265    HD1  TYR  16           HD1      TYR  16   5.180  -6.233   6.910
  266    HD2  TYR  16           HD2      TYR  16   7.920  -5.940   3.592
  267    HE1  TYR  16           HE1      TYR  16   6.993  -7.168   8.337
  268    HE2  TYR  16           HE2      TYR  16   9.738  -6.882   5.006
  269    HH   TYR  16           HH       TYR  16  10.325  -7.684   7.090
  270    H    LEU  17           H        LEU  17   6.760  -2.688   3.136
  271    HA   LEU  17           HA       LEU  17   9.092  -2.474   4.745
  272    HB2  LEU  17           2HB      LEU  17   8.565  -2.131   2.073
  273    HB3  LEU  17           3HB      LEU  17   8.562  -0.459   2.584
  274    HG   LEU  17           HG       LEU  17  10.839  -0.901   3.661
  275   HD11  LEU  17          1HD1      LEU  17  10.678  -3.441   1.963
  276   HD12  LEU  17          2HD1      LEU  17  12.140  -2.825   2.761
  277   HD13  LEU  17          3HD1      LEU  17  10.776  -3.384   3.735
  278   HD21  LEU  17          3HD2      LEU  17  10.578  -1.234   0.638
  279   HD22  LEU  17          1HD2      LEU  17  10.609   0.306   1.528
  280   HD23  LEU  17          2HD2      LEU  17  12.048  -0.723   1.497
  281    H    VAL  18           H        VAL  18   6.488  -0.144   4.163
  282    HA   VAL  18           HA       VAL  18   7.602   2.007   5.739
  283    HB   VAL  18           HB       VAL  18   4.756   1.407   4.842
  284   HG11  VAL  18          1HG1      VAL  18   4.551   2.954   6.740
  285   HG12  VAL  18          2HG1      VAL  18   5.824   3.997   6.060
  286   HG13  VAL  18          3HG1      VAL  18   4.266   3.820   5.227
  287   HG21  VAL  18          3HG2      VAL  18   6.465   1.833   3.060
  288   HG22  VAL  18          1HG2      VAL  18   5.209   3.059   3.130
  289   HG23  VAL  18          2HG2      VAL  18   6.821   3.398   3.806
  290    H    CYS  19           H        CYS  19   5.038  -0.371   6.462
  291    HA   CYS  19           HA       CYS  19   4.755   0.563   9.223
  292    HB2  CYS  19           2HB      CYS  19   2.965  -0.281   7.503
  293    HB3  CYS  19           3HB      CYS  19   3.463  -1.880   7.998
  294    H    GLY  20           H        GLY  20   6.756  -1.825   7.859
  295    HA2  GLY  20           HA2      GLY  20   6.445  -4.051   9.387
  296    HA3  GLY  20           HA3      GLY  20   7.999  -3.601   8.695
  297    H    GLU  21           H        GLU  21   8.194  -3.934  12.529
  298    HA   GLU  21           HA       GLU  21   7.326  -5.752  10.412
  299    HB2  GLU  21           2HB      GLU  21   7.662  -7.474  12.064
  300    HB3  GLU  21           3HB      GLU  21   9.037  -6.381  12.021
  301    HG2  GLU  21           2HG      GLU  21   8.193  -5.233  14.072
  302    HG3  GLU  21           3HG      GLU  21   6.819  -6.338  14.120
  303    H    ARG  22           H        ARG  22   5.399  -3.554  11.707
  304    HA   ARG  22           HA       ARG  22   3.558  -5.061  13.333
  305    HB2  ARG  22           2HB      ARG  22   3.245  -2.272  12.143
  306    HB3  ARG  22           3HB      ARG  22   2.195  -3.012  13.333
  307    HG2  ARG  22           2HG      ARG  22   3.489  -1.729  14.689
  308    HG3  ARG  22           3HG      ARG  22   4.327  -3.277  14.808
  309    HD2  ARG  22           2HD      ARG  22   6.010  -2.453  13.156
  310    HD3  ARG  22           3HD      ARG  22   5.120  -0.921  13.033
  311    HE   ARG  22           HE       ARG  22   5.667  -1.285  15.747
  312   HH11  ARG  22          2HH1      ARG  22   7.669  -0.894  12.828
  313   HH12  ARG  22          1HH1      ARG  22   8.928  -0.096  13.714
  314   HH21  ARG  22          1HH2      ARG  22   7.359  -0.275  16.804
  315   HH22  ARG  22          2HH2      ARG  22   8.767   0.234  15.924
  316    H    GLY  23           H        GLY  23   3.681  -4.677   9.906
  317    HA2  GLY  23           HA2      GLY  23   2.360  -5.636   8.238
  318    HA3  GLY  23           HA3      GLY  23   1.337  -6.352   9.497
  319    H    HIS  24           H        HIS  24  -0.244  -5.770   7.702
  320    HA   HIS  24           HA       HIS  24  -1.586  -3.226   8.350
  321    HB2  HIS  24           2HB      HIS  24  -1.651  -2.546   5.949
  322    HB3  HIS  24           3HB      HIS  24  -0.065  -2.446   6.698
  323    HD2  HIS  24           HD2      HIS  24   1.878  -3.869   5.711
  324    HE1  HIS  24           HE1      HIS  24  -0.275  -5.630   2.490
  325    HE2  HIS  24           HE2      HIS  24   2.041  -5.286   3.491
  326    H    PHE  25           H        PHE  25  -3.697  -3.009   7.533
  327    HA   PHE  25           HA       PHE  25  -5.151  -5.534   7.556
  328    HB2  PHE  25           2HB      PHE  25  -7.113  -4.054   7.773
  329    HB3  PHE  25           3HB      PHE  25  -5.867  -3.724   8.957
  330    HD1  PHE  25           HD1      PHE  25  -7.341  -2.488   5.735
  331    HD2  PHE  25           HD2      PHE  25  -4.909  -1.535   9.174
  332    HE1  PHE  25           HE1      PHE  25  -7.369  -0.093   5.094
  333    HE2  PHE  25           HE2      PHE  25  -4.972   0.862   8.544
  334    HZ   PHE  25           HZ       PHE  25  -6.217   1.590   6.513
  335    H    TYR  26           H        TYR  26  -3.970  -3.615   4.972
  336    HA   TYR  26           HA       TYR  26  -6.136  -3.754   3.135
  337    HB2  TYR  26           2HB      TYR  26  -4.440  -2.188   2.698
  338    HB3  TYR  26           3HB      TYR  26  -3.156  -3.369   2.905
  339    HD1  TYR  26           HD1      TYR  26  -6.205  -3.049   0.677
  340    HD2  TYR  26           HD2      TYR  26  -2.014  -4.000   0.992
  341    HE1  TYR  26           HE1      TYR  26  -6.141  -3.557  -1.750
  342    HE2  TYR  26           HE2      TYR  26  -1.930  -4.438  -1.439
  343    HH   TYR  26           HH       TYR  26  -4.817  -4.138  -3.551
  344    H    THR  27           H        THR  27  -3.573  -6.090   3.767
  345    HA   THR  27           HA       THR  27  -2.905  -7.560   1.813
  346    HB   THR  27           HB       THR  27  -3.251  -9.716   3.058
  347    HG1  THR  27           HG1      THR  27  -5.168  -9.026   4.137
  348   HG21  THR  27          1HG2      THR  27  -2.087  -7.357   4.609
  349   HG22  THR  27          2HG2      THR  27  -1.722  -9.075   4.863
  350   HG23  THR  27          3HG2      THR  27  -1.248  -8.290   3.349
  351    HA   PRO  28           HA       PRO  28  -6.786  -7.868  -0.363
  352    HB2  PRO  28           2HB      PRO  28  -5.936  -7.978  -2.935
  353    HB3  PRO  28           3HB      PRO  28  -5.738  -6.517  -1.924
  354    HG2  PRO  28           2HG      PRO  28  -3.689  -8.710  -2.426
  355    HG3  PRO  28           3HG      PRO  28  -3.469  -6.942  -2.613
  356    HD2  PRO  28           2HD      PRO  28  -2.733  -8.240  -0.342
  357    HD3  PRO  28           3HD      PRO  28  -3.460  -6.605  -0.269
  358    H    LYS  29           H        LYS  29  -8.019  -9.348  -1.724
  359    HA   LYS  29           HA       LYS  29  -7.355 -12.148  -1.235
  360    HB2  LYS  29           2HB      LYS  29  -9.617 -10.909  -0.857
  361    HB3  LYS  29           3HB      LYS  29  -9.835 -11.028  -2.596
  362    HG2  LYS  29           2HG      LYS  29 -11.069 -12.771  -1.496
  363    HG3  LYS  29           3HG      LYS  29  -9.763 -13.539  -2.388
  364    HD2  LYS  29           2HD      LYS  29  -8.466 -13.812  -0.295
  365    HD3  LYS  29           3HD      LYS  29  -9.725 -12.937   0.606
  366    HE2  LYS  29           2HE      LYS  29 -11.378 -14.685  -0.032
  367    HE3  LYS  29           3HE      LYS  29 -10.122 -15.549  -0.929
  368    HZ1  LYS  29           HZ1      LYS  29  -8.924 -15.849   1.167
  369    HZ2  LYS  29           HZ2      LYS  29 -10.085 -15.047   1.998
  370    HZ3  LYS  29           HZ3      LYS  29 -10.427 -16.477   1.286
  371    H    THR  30           H        THR  30  -5.743 -10.769  -3.141
  372    HA   THR  30           HA       THR  30  -6.265 -11.505  -5.881
  373    HB   THR  30           HB       THR  30  -3.604 -10.876  -4.546
  374    HG1  THR  30           HG1      THR  30  -5.527  -9.195  -5.792
  375   HG21  THR  30          1HG2      THR  30  -2.995 -10.001  -6.798
  376   HG22  THR  30          2HG2      THR  30  -3.283 -11.746  -6.819
  377   HG23  THR  30          3HG2      THR  30  -4.522 -10.640  -7.451
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -11.883   1.541   0.535
    2    H2   GLY   1           2H       GLY   1 -10.647   1.236   1.569
    3    H3   GLY   1           3H       GLY   1 -10.497   0.894  -0.035
    4    HA2  GLY   1           HA2      GLY   1 -10.603   3.217  -0.621
    5    HA3  GLY   1           HA3      GLY   1 -10.808   3.602   1.095
    6    H    ILE   2           H        ILE   2  -8.598   2.090  -1.228
    7    HA   ILE   2           HA       ILE   2  -6.307   3.541  -0.307
    8    HB   ILE   2           HB       ILE   2  -6.198   2.000   1.523
    9   HG12  ILE   2          2HG1      ILE   2  -4.083   1.483  -0.600
   10   HG13  ILE   2          3HG1      ILE   2  -4.125   2.775   0.591
   11   HG21  ILE   2          1HG2      ILE   2  -5.944  -0.404  -0.310
   12   HG22  ILE   2          2HG2      ILE   2  -6.092  -0.354   1.448
   13   HG23  ILE   2          3HG2      ILE   2  -7.482   0.066   0.460
   14   HD11  ILE   2          3HD1      ILE   2  -4.036   0.912   2.376
   15   HD12  ILE   2          1HD1      ILE   2  -3.648  -0.186   1.033
   16   HD13  ILE   2          2HD1      ILE   2  -2.578   1.182   1.394
   17    H    VAL   3           H        VAL   3  -6.793   0.343  -1.888
   18    HA   VAL   3           HA       VAL   3  -4.844   0.955  -3.905
   19    HB   VAL   3           HB       VAL   3  -5.386  -1.320  -3.130
   20   HG11  VAL   3          1HG1      VAL   3  -7.258  -2.587  -4.059
   21   HG12  VAL   3          2HG1      VAL   3  -7.856  -1.225  -3.102
   22   HG13  VAL   3          3HG1      VAL   3  -7.875  -1.142  -4.878
   23   HG21  VAL   3          3HG2      VAL   3  -5.659  -1.048  -6.147
   24   HG22  VAL   3          1HG2      VAL   3  -4.133  -0.904  -5.245
   25   HG23  VAL   3          2HG2      VAL   3  -5.026  -2.434  -5.244
   26    H    GLU   4           H        GLU   4  -8.295   1.517  -3.714
   27    HA   GLU   4           HA       GLU   4  -8.865   2.135  -6.433
   28    HB2  GLU   4           2HB      GLU   4 -10.081   3.477  -3.987
   29    HB3  GLU   4           3HB      GLU   4 -10.784   3.281  -5.586
   30    HG2  GLU   4           2HG      GLU   4 -11.898   1.585  -4.615
   31    HG3  GLU   4           3HG      GLU   4 -10.449   0.654  -4.977
   32    H    GLN   5           H        GLN   5  -6.896   3.831  -4.126
   33    HA   GLN   5           HA       GLN   5  -6.716   6.248  -5.906
   34    HB2  GLN   5           2HB      GLN   5  -5.942   5.823  -2.973
   35    HB3  GLN   5           3HB      GLN   5  -5.494   7.221  -3.940
   36    HG2  GLN   5           2HG      GLN   5  -7.376   7.865  -2.635
   37    HG3  GLN   5           3HG      GLN   5  -7.895   7.753  -4.309
   38   HE21  GLN   5          2HE2      GLN   5 -10.060   7.107  -4.244
   39   HE22  GLN   5          1HE2      GLN   5 -10.655   5.803  -3.230
   40    H    CYS   6           H        CYS   6  -4.663   3.944  -3.961
   41    HA   CYS   6           HA       CYS   6  -2.245   4.900  -4.996
   42    HB2  CYS   6           2HB      CYS   6  -2.855   2.119  -3.977
   43    HB3  CYS   6           3HB      CYS   6  -1.251   2.813  -4.179
   44    H    CYS   7           H        CYS   7  -4.364   2.506  -6.517
   45    HA   CYS   7           HA       CYS   7  -2.382   1.572  -8.404
   46    HB2  CYS   7           2HB      CYS   7  -4.573   0.476  -7.553
   47    HB3  CYS   7           3HB      CYS   7  -5.381   1.440  -8.782
   48    H    THR   8           H        THR   8  -4.232   4.490  -8.338
   49    HA   THR   8           HA       THR   8  -3.649   5.059 -11.229
   50    HB   THR   8           HB       THR   8  -5.695   6.469 -11.200
   51    HG1  THR   8           HG1      THR   8  -7.146   6.127  -9.468
   52   HG21  THR   8          1HG2      THR   8  -5.759   4.123 -12.061
   53   HG22  THR   8          2HG2      THR   8  -6.268   3.563 -10.452
   54   HG23  THR   8          3HG2      THR   8  -7.306   4.659 -11.387
   55    H    SER   9           H        SER   9  -3.192   6.171  -7.986
   56    HA   SER   9           HA       SER   9  -1.589   8.441  -9.013
   57    HB2  SER   9           2HB      SER   9  -3.980   9.200  -8.341
   58    HB3  SER   9           3HB      SER   9  -3.519   8.778  -6.686
   59    HG   SER   9           HG       SER   9  -3.097  11.013  -7.219
   60    H    ILE  10           H        ILE  10  -0.037   9.223  -7.375
   61    HA   ILE  10           HA       ILE  10   1.187   6.781  -6.418
   62    HB   ILE  10           HB       ILE  10   2.203   9.631  -6.583
   63   HG12  ILE  10          2HG1      ILE  10   2.262   7.123  -8.301
   64   HG13  ILE  10          3HG1      ILE  10   1.743   8.746  -8.728
   65   HG21  ILE  10          1HG2      ILE  10   3.715   7.104  -5.805
   66   HG22  ILE  10          2HG2      ILE  10   4.459   8.674  -6.197
   67   HG23  ILE  10          3HG2      ILE  10   3.435   8.523  -4.784
   68   HD11  ILE  10          3HD1      ILE  10   4.586   7.795  -8.342
   69   HD12  ILE  10          1HD1      ILE  10   3.756   8.203  -9.858
   70   HD13  ILE  10          2HD1      ILE  10   4.100   9.490  -8.672
   71    H    CYS  11           H        CYS  11   1.311   5.903  -4.575
   72    HA   CYS  11           HA       CYS  11   0.697   7.392  -2.050
   73    HB2  CYS  11           2HB      CYS  11   0.594   4.448  -2.784
   74    HB3  CYS  11           3HB      CYS  11   0.455   5.051  -1.131
   75    H    SER  12           H        SER  12   2.686   8.368  -1.695
   76    HA   SER  12           HA       SER  12   5.170   6.795  -1.522
   77    HB2  SER  12           2HB      SER  12   4.501   9.648  -0.749
   78    HB3  SER  12           3HB      SER  12   6.128   8.947  -0.737
   79    HG   SER  12           HG       SER  12   5.626  10.123  -2.697
   80    H    LEU  13           H        LEU  13   6.516   7.002   0.518
   81    HA   LEU  13           HA       LEU  13   5.572   5.422   2.508
   82    HB2  LEU  13           2HB      LEU  13   7.511   6.086   3.797
   83    HB3  LEU  13           3HB      LEU  13   7.878   5.889   2.094
   84    HG   LEU  13           HG       LEU  13   7.451   8.611   2.184
   85   HD11  LEU  13          1HD1      LEU  13   7.210   8.570   4.701
   86   HD12  LEU  13          2HD1      LEU  13   8.848   7.909   4.807
   87   HD13  LEU  13          3HD1      LEU  13   8.581   9.533   4.138
   88   HD21  LEU  13          3HD2      LEU  13   9.364   7.482   1.140
   89   HD22  LEU  13          1HD2      LEU  13   9.904   8.826   2.157
   90   HD23  LEU  13          2HD2      LEU  13  10.067   7.155   2.740
   91    H    TYR  14           H        TYR  14   5.388   8.983   2.754
   92    HA   TYR  14           HA       TYR  14   4.387   8.952   5.450
   93    HB2  TYR  14           2HB      TYR  14   3.837  11.373   4.891
   94    HB3  TYR  14           3HB      TYR  14   5.518  10.878   4.726
   95    HD1  TYR  14           HD2      TYR  14   2.423  11.675   2.803
   96    HD2  TYR  14           HD1      TYR  14   6.671  10.972   2.637
   97    HE1  TYR  14           HE2      TYR  14   2.436  12.356   0.413
   98    HE2  TYR  14           HE1      TYR  14   6.708  11.672   0.268
   99    HH   TYR  14           HH       TYR  14   5.473  12.499  -1.513
  100    H    GLN  15           H        GLN  15   2.792   8.529   2.397
  101    HA   GLN  15           HA       GLN  15   0.073   8.882   3.573
  102    HB2  GLN  15           2HB      GLN  15   1.178   8.556   0.771
  103    HB3  GLN  15           3HB      GLN  15  -0.498   8.156   1.088
  104    HG2  GLN  15           2HG      GLN  15   0.374  10.810   2.153
  105    HG3  GLN  15           3HG      GLN  15   0.377  10.640   0.400
  106   HE21  GLN  15          2HE2      GLN  15  -1.907   9.844   3.209
  107   HE22  GLN  15          1HE2      GLN  15  -3.298  10.360   2.279
  108    H    LEU  16           H        LEU  16   2.242   6.327   2.259
  109    HA   LEU  16           HA       LEU  16   0.509   4.116   2.624
  110    HB2  LEU  16           2HB      LEU  16   3.496   4.506   2.762
  111    HB3  LEU  16           3HB      LEU  16   2.786   2.905   2.918
  112    HG   LEU  16           HG       LEU  16   2.420   4.712   0.487
  113   HD11  LEU  16          1HD1      LEU  16   4.767   4.044   0.720
  114   HD12  LEU  16          2HD1      LEU  16   4.292   2.347   0.979
  115   HD13  LEU  16          3HD1      LEU  16   4.025   3.124  -0.596
  116   HD21  LEU  16          3HD2      LEU  16   1.879   1.744   0.853
  117   HD22  LEU  16          1HD2      LEU  16   0.609   2.992   0.821
  118   HD23  LEU  16          2HD2      LEU  16   1.605   2.693  -0.619
  119    H    GLU  17           H        GLU  17   2.595   5.788   4.969
  120    HA   GLU  17           HA       GLU  17   2.278   4.048   7.146
  121    HB2  GLU  17           2HB      GLU  17   3.792   6.080   6.880
  122    HB3  GLU  17           3HB      GLU  17   2.416   7.082   7.344
  123    HG2  GLU  17           2HG      GLU  17   2.282   5.873   9.515
  124    HG3  GLU  17           3HG      GLU  17   3.594   4.806   9.011
  125    H    ASN  18           H        ASN  18  -0.088   6.293   5.794
  126    HA   ASN  18           HA       ASN  18  -1.813   6.450   8.101
  127    HB2  ASN  18           2HB      ASN  18  -2.606   6.659   5.168
  128    HB3  ASN  18           3HB      ASN  18  -3.523   7.207   6.558
  129   HD21  ASN  18          2HD2      ASN  18  -1.235   8.465   8.001
  130   HD22  ASN  18          1HD2      ASN  18  -0.838   9.886   7.054
  131    H    TYR  19           H        TYR  19  -1.213   3.839   5.908
  132    HA   TYR  19           HA       TYR  19  -3.665   2.402   6.817
  133    HB2  TYR  19           2HB      TYR  19  -1.868   1.563   4.556
  134    HB3  TYR  19           3HB      TYR  19  -3.531   1.093   4.861
  135    HD1  TYR  19           HD2      TYR  19  -5.373   2.951   4.536
  136    HD2  TYR  19           HD1      TYR  19  -1.312   3.340   3.195
  137    HE1  TYR  19           HE2      TYR  19  -6.054   4.790   3.000
  138    HE2  TYR  19           HE1      TYR  19  -1.952   5.174   1.666
  139    HH   TYR  19           HH       TYR  19  -3.704   6.471   0.867
  140    H    CYS  20           H        CYS  20  -0.714   2.795   7.970
  141    HA   CYS  20           HA       CYS  20   0.250   0.059   8.352
  142    HB2  CYS  20           2HB      CYS  20   1.754   1.975   8.306
  143    HB3  CYS  20           3HB      CYS  20   0.918   2.704   9.673
  144    H    ASN  21           H        ASN  21  -0.147  -1.325  10.079
  145    HA   ASN  21           HA       ASN  21  -2.483  -0.969  11.707
  146    HB2  ASN  21           2HB      ASN  21  -0.166  -2.939  11.813
  147    HB3  ASN  21           3HB      ASN  21  -1.506  -3.005  12.945
  148   HD21  ASN  21          2HD2      ASN  21  -0.846  -5.097  11.506
  149   HD22  ASN  21          1HD2      ASN  21  -2.229  -5.415  10.479
  150    H1   PHE   1           H        PHE   1  11.656  -0.641  -2.143
  151    HA   PHE   1           HA       PHE   1  10.326  -1.050  -4.114
  152    HB2  PHE   1           2HB      PHE   1   8.051  -0.886  -3.300
  153    HB3  PHE   1           3HB      PHE   1   9.137  -1.453  -2.050
  154    HD1  PHE   1           HD2      PHE   1   7.183   1.455  -3.253
  155    HD2  PHE   1           HD1      PHE   1   9.500  -0.173  -0.032
  156    HE1  PHE   1           HE2      PHE   1   6.330   3.252  -1.741
  157    HE2  PHE   1           HE1      PHE   1   8.602   1.567   1.510
  158    HZ   PHE   1           HZ       PHE   1   6.989   3.260   0.657
  159    H    VAL   2           H        VAL   2  10.819   2.160  -3.383
  160    HA   VAL   2           HA       VAL   2  10.639   4.158  -4.287
  161    HB   VAL   2           HB       VAL   2  10.719   4.573  -6.627
  162   HG11  VAL   2          1HG1      VAL   2  12.436   2.166  -5.912
  163   HG12  VAL   2          2HG1      VAL   2  12.783   3.397  -7.143
  164   HG13  VAL   2          3HG1      VAL   2  12.749   3.850  -5.431
  165   HG21  VAL   2          3HG2      VAL   2   9.094   2.847  -7.466
  166   HG22  VAL   2          1HG2      VAL   2  10.589   3.025  -8.393
  167   HG23  VAL   2          2HG2      VAL   2  10.404   1.645  -7.311
  168    H    ASN   3           H        ASN   3   9.370   5.901  -4.946
  169    HA   ASN   3           HA       ASN   3   6.520   5.609  -4.552
  170    HB2  ASN   3           2HB      ASN   3   6.357   7.947  -4.932
  171    HB3  ASN   3           3HB      ASN   3   7.746   7.642  -3.909
  172   HD21  ASN   3          2HD2      ASN   3   9.889   8.146  -4.741
  173   HD22  ASN   3          1HD2      ASN   3  10.078   9.020  -6.247
  174    H    GLN   4           H        GLN   4   4.906   5.276  -5.950
  175    HA   GLN   4           HA       GLN   4   5.093   5.423  -8.832
  176    HB2  GLN   4           2HB      GLN   4   6.536   3.345  -7.883
  177    HB3  GLN   4           3HB      GLN   4   4.958   2.591  -7.758
  178    HG2  GLN   4           2HG      GLN   4   4.587   2.878 -10.171
  179    HG3  GLN   4           3HG      GLN   4   6.055   3.859 -10.310
  180   HE21  GLN   4          2HE2      GLN   4   8.101   2.571  -9.254
  181   HE22  GLN   4          1HE2      GLN   4   8.251   0.945  -9.888
  182    H    HIS   5           H        HIS   5   3.124   4.224  -9.800
  183    HA   HIS   5           HA       HIS   5   0.729   4.737  -8.228
  184    HB2  HIS   5           2HB      HIS   5   1.096   3.547 -11.001
  185    HB3  HIS   5           3HB      HIS   5  -0.437   4.039 -10.278
  186    HD2  HIS   5           HD2      HIS   5   2.519   5.412 -12.172
  187    HE1  HIS   5           HE1      HIS   5   0.164   8.798 -11.120
  188    HE2  HIS   5           HE2      HIS   5   2.124   7.988 -12.535
  189    H    LEU   6           H        LEU   6   1.809   3.132  -6.630
  190    HA   LEU   6           HA       LEU   6   2.172   0.402  -6.963
  191    HB2  LEU   6           2HB      LEU   6   1.204   1.906  -4.497
  192    HB3  LEU   6           3HB      LEU   6   1.859   0.274  -4.479
  193    HG   LEU   6           HG       LEU   6   3.431   2.769  -5.275
  194   HD11  LEU   6          1HD1      LEU   6   3.361   1.035  -2.796
  195   HD12  LEU   6          2HD1      LEU   6   4.544   2.337  -3.087
  196   HD13  LEU   6          3HD1      LEU   6   2.819   2.719  -2.909
  197   HD21  LEU   6          3HD2      LEU   6   5.400   1.280  -5.132
  198   HD22  LEU   6          1HD2      LEU   6   4.327  -0.100  -4.818
  199   HD23  LEU   6          2HD2      LEU   6   4.302   0.717  -6.398
  200    H    CYS   7           H        CYS   7   1.018  -1.412  -7.032
  201    HA   CYS   7           HA       CYS   7  -1.810  -1.502  -6.194
  202    HB2  CYS   7           2HB      CYS   7  -1.532  -0.451  -8.538
  203    HB3  CYS   7           3HB      CYS   7  -1.081  -2.051  -9.093
  204    H    GLY   8           H        GLY   8  -2.556  -3.589  -5.819
  205    HA2  GLY   8           HA2      GLY   8  -2.423  -5.855  -5.317
  206    HA3  GLY   8           HA3      GLY   8  -1.391  -6.001  -6.745
  207    H    SER   9           H        SER   9   0.317  -7.178  -6.178
  208    HA   SER   9           HA       SER   9   1.476  -7.542  -3.663
  209    HB2  SER   9           2HB      SER   9   2.906  -7.622  -6.346
  210    HB3  SER   9           3HB      SER   9   3.376  -8.475  -4.869
  211    HG   SER   9           HG       SER   9   1.547  -9.787  -5.065
  212    H    HIS  10           H        HIS  10   2.575  -5.150  -6.163
  213    HA   HIS  10           HA       HIS  10   4.779  -4.128  -4.790
  214    HB2  HIS  10           2HB      HIS  10   3.491  -3.536  -7.159
  215    HB3  HIS  10           3HB      HIS  10   3.089  -2.112  -6.205
  216    HD2  HIS  10           HD2      HIS  10   6.002  -1.915  -4.668
  217    HE1  HIS  10           HE1      HIS  10   7.351  -1.014  -8.596
  218    HE2  HIS  10           HE2      HIS  10   7.883  -0.788  -6.115
  219    H    LEU  11           H        LEU  11   1.361  -3.236  -4.380
  220    HA   LEU  11           HA       LEU  11   1.850  -1.094  -2.482
  221    HB2  LEU  11           2HB      LEU  11  -0.133  -1.201  -3.943
  222    HB3  LEU  11           3HB      LEU  11  -0.669  -2.677  -3.152
  223    HG   LEU  11           HG       LEU  11  -1.058  -1.470  -1.059
  224   HD11  LEU  11          1HD1      LEU  11  -0.131   1.026  -2.560
  225   HD12  LEU  11          2HD1      LEU  11  -0.925   1.014  -0.970
  226   HD13  LEU  11          3HD1      LEU  11   0.672   0.287  -1.155
  227   HD21  LEU  11          3HD2      LEU  11  -2.959  -0.118  -1.832
  228   HD22  LEU  11          1HD2      LEU  11  -2.267  -0.037  -3.467
  229   HD23  LEU  11          2HD2      LEU  11  -2.825  -1.583  -2.814
  230    H    VAL  12           H        VAL  12   1.013  -4.566  -2.122
  231    HA   VAL  12           HA       VAL  12   0.928  -4.528   0.762
  232    HB   VAL  12           HB       VAL  12   1.667  -6.784  -1.177
  233   HG11  VAL  12          1HG1      VAL  12   1.199  -8.395   0.643
  234   HG12  VAL  12          2HG1      VAL  12   2.618  -7.414   0.986
  235   HG13  VAL  12          3HG1      VAL  12   1.081  -7.059   1.799
  236   HG21  VAL  12          3HG2      VAL  12  -0.591  -7.646  -0.708
  237   HG22  VAL  12          1HG2      VAL  12  -0.932  -6.218   0.297
  238   HG23  VAL  12          2HG2      VAL  12  -0.641  -6.053  -1.449
  239    H    GLU  13           H        GLU  13   3.629  -5.176  -1.480
  240    HA   GLU  13           HA       GLU  13   5.657  -5.663   0.461
  241    HB2  GLU  13           2HB      GLU  13   5.818  -4.445  -2.329
  242    HB3  GLU  13           3HB      GLU  13   7.217  -4.954  -1.390
  243    HG2  GLU  13           3HG      GLU  13   4.990  -6.904  -2.115
  244    HG3  GLU  13           2HG      GLU  13   6.301  -6.529  -3.212
  245    H    ALA  14           H        ALA  14   4.684  -2.590  -1.161
  246    HA   ALA  14           HA       ALA  14   6.554  -0.890   0.123
  247    HB1  ALA  14           3HB      ALA  14   4.985   0.871  -0.655
  248    HB2  ALA  14           1HB      ALA  14   5.272  -0.332  -1.919
  249    HB3  ALA  14           2HB      ALA  14   3.756  -0.357  -0.985
  250    H    LEU  15           H        LEU  15   3.117  -1.569   0.982
  251    HA   LEU  15           HA       LEU  15   3.021   0.020   3.320
  252    HB2  LEU  15           2HB      LEU  15   1.567  -2.508   2.483
  253    HB3  LEU  15           3HB      LEU  15   1.195  -1.651   3.985
  254    HG   LEU  15           HG       LEU  15   1.021  -0.312   1.280
  255   HD11  LEU  15          1HD1      LEU  15  -1.213  -1.612   2.890
  256   HD12  LEU  15          2HD1      LEU  15  -1.355  -0.775   1.325
  257   HD13  LEU  15          3HD1      LEU  15  -0.466  -2.293   1.424
  258   HD21  LEU  15          3HD2      LEU  15  -0.084   0.363   4.039
  259   HD22  LEU  15          1HD2      LEU  15   1.196   1.238   3.187
  260   HD23  LEU  15          2HD2      LEU  15  -0.448   1.258   2.541
  261    H    TYR  16           H        TYR  16   4.023  -3.409   2.969
  262    HA   TYR  16           HA       TYR  16   4.608  -3.811   5.757
  263    HB2  TYR  16           2HB      TYR  16   4.344  -5.723   4.361
  264    HB3  TYR  16           3HB      TYR  16   5.529  -5.141   3.193
  265    HD1  TYR  16           HD1      TYR  16   5.257  -6.101   6.822
  266    HD2  TYR  16           HD2      TYR  16   7.765  -5.835   3.322
  267    HE1  TYR  16           HE1      TYR  16   7.132  -7.114   8.099
  268    HE2  TYR  16           HE2      TYR  16   9.652  -6.837   4.595
  269    HH   TYR  16           HH       TYR  16   9.332  -7.814   8.042
  270    H    LEU  17           H        LEU  17   6.715  -2.679   3.043
  271    HA   LEU  17           HA       LEU  17   9.081  -2.517   4.681
  272    HB2  LEU  17           2HB      LEU  17   8.268  -1.378   1.993
  273    HB3  LEU  17           3HB      LEU  17   9.842  -1.023   2.693
  274    HG   LEU  17           HG       LEU  17   8.844  -3.874   2.240
  275   HD11  LEU  17          1HD1      LEU  17  10.239  -3.907   0.225
  276   HD12  LEU  17          2HD1      LEU  17   8.981  -2.670   0.091
  277   HD13  LEU  17          3HD1      LEU  17  10.658  -2.196   0.461
  278   HD21  LEU  17          3HD2      LEU  17  10.661  -3.751   3.894
  279   HD22  LEU  17          1HD2      LEU  17  11.257  -4.447   2.386
  280   HD23  LEU  17          2HD2      LEU  17  11.630  -2.757   2.783
  281    H    VAL  18           H        VAL  18   6.574  -0.114   3.968
  282    HA   VAL  18           HA       VAL  18   7.838   2.046   5.447
  283    HB   VAL  18           HB       VAL  18   4.932   1.538   4.695
  284   HG11  VAL  18          1HG1      VAL  18   6.166   4.080   5.856
  285   HG12  VAL  18          2HG1      VAL  18   4.560   3.960   5.114
  286   HG13  VAL  18          3HG1      VAL  18   4.895   3.085   6.608
  287   HG21  VAL  18          3HG2      VAL  18   6.537   1.907   2.823
  288   HG22  VAL  18          1HG2      VAL  18   5.350   3.192   2.972
  289   HG23  VAL  18          2HG2      VAL  18   7.015   3.450   3.549
  290    H    CYS  19           H        CYS  19   5.163  -0.189   6.310
  291    HA   CYS  19           HA       CYS  19   4.898   0.845   8.979
  292    HB2  CYS  19           2HB      CYS  19   3.132  -0.248   7.483
  293    HB3  CYS  19           3HB      CYS  19   3.874  -1.789   7.870
  294    H    GLY  20           H        GLY  20   6.764  -1.882   7.756
  295    HA2  GLY  20           HA2      GLY  20   8.401  -3.171   8.822
  296    HA3  GLY  20           HA3      GLY  20   7.984  -2.436  10.385
  297    H    GLU  21           H        GLU  21   8.112  -4.568  11.231
  298    HA   GLU  21           HA       GLU  21   6.643  -6.804  10.382
  299    HB2  GLU  21           2HB      GLU  21   7.265  -7.811  12.483
  300    HB3  GLU  21           3HB      GLU  21   8.610  -6.876  11.838
  301    HG2  GLU  21           2HG      GLU  21   8.051  -5.013  13.421
  302    HG3  GLU  21           3HG      GLU  21   6.731  -5.984  14.077
  303    H    ARG  22           H        ARG  22   5.276  -4.060  11.846
  304    HA   ARG  22           HA       ARG  22   3.142  -5.281  13.370
  305    HB2  ARG  22           2HB      ARG  22   3.277  -2.525  12.080
  306    HB3  ARG  22           3HB      ARG  22   2.143  -3.030  13.328
  307    HG2  ARG  22           2HG      ARG  22   5.161  -2.721  13.636
  308    HG3  ARG  22           3HG      ARG  22   3.908  -1.658  14.276
  309    HD2  ARG  22           2HD      ARG  22   3.063  -3.519  15.700
  310    HD3  ARG  22           3HD      ARG  22   4.371  -4.557  15.092
  311    HE   ARG  22           HE       ARG  22   5.500  -2.148  16.100
  312   HH11  ARG  22          1HH2      ARG  22   3.952  -5.067  17.369
  313   HH12  ARG  22          2HH2      ARG  22   4.796  -4.965  18.885
  314   HH21  ARG  22          1HH1      ARG  22   6.555  -2.076  18.078
  315   HH22  ARG  22          2HH1      ARG  22   6.246  -3.294  19.279
  316    H    GLY  23           H        GLY  23   3.563  -4.676   9.946
  317    HA2  GLY  23           HA2      GLY  23   2.317  -5.415   8.131
  318    HA3  GLY  23           HA3      GLY  23   1.208  -6.222   9.254
  319    H    HIS  24           H        HIS  24  -0.270  -5.491   7.490
  320    HA   HIS  24           HA       HIS  24  -1.564  -2.923   8.194
  321    HB2  HIS  24           2HB      HIS  24  -1.623  -2.267   5.779
  322    HB3  HIS  24           3HB      HIS  24  -0.033  -2.197   6.528
  323    HD2  HIS  24           HD2      HIS  24   1.875  -3.700   5.564
  324    HE1  HIS  24           HE1      HIS  24  -0.334  -5.499   2.403
  325    HE2  HIS  24           HE2      HIS  24   1.992  -5.180   3.386
  326    H    PHE  25           H        PHE  25  -3.690  -2.683   7.437
  327    HA   PHE  25           HA       PHE  25  -5.178  -5.179   7.478
  328    HB2  PHE  25           2HB      PHE  25  -7.126  -3.628   7.640
  329    HB3  PHE  25           3HB      PHE  25  -5.897  -3.401   8.865
  330    HD1  PHE  25           HD1      PHE  25  -7.083  -2.001   5.574
  331    HD2  PHE  25           HD2      PHE  25  -4.956  -1.258   9.259
  332    HE1  PHE  25           HE1      PHE  25  -6.962   0.414   5.023
  333    HE2  PHE  25           HE2      PHE  25  -4.887   1.160   8.723
  334    HZ   PHE  25           HZ       PHE  25  -5.924   2.006   6.627
  335    H    TYR  26           H        TYR  26  -3.980  -3.340   4.852
  336    HA   TYR  26           HA       TYR  26  -6.156  -3.518   3.019
  337    HB2  TYR  26           2HB      TYR  26  -4.457  -1.966   2.547
  338    HB3  TYR  26           3HB      TYR  26  -3.176  -3.140   2.786
  339    HD1  TYR  26           HD1      TYR  26  -6.226  -2.932   0.541
  340    HD2  TYR  26           HD2      TYR  26  -2.007  -3.739   0.886
  341    HE1  TYR  26           HE1      TYR  26  -6.144  -3.567  -1.862
  342    HE2  TYR  26           HE2      TYR  26  -1.892  -4.213  -1.539
  343    HH   TYR  26           HH       TYR  26  -3.067  -4.477  -3.480
  344    H    THR  27           H        THR  27  -3.613  -5.847   3.753
  345    HA   THR  27           HA       THR  27  -2.938  -7.353   1.819
  346    HB   THR  27           HB       THR  27  -3.266  -9.484   3.124
  347    HG1  THR  27           HG1      THR  27  -5.165  -8.761   4.214
  348   HG21  THR  27          1HG2      THR  27  -2.070  -7.081   4.578
  349   HG22  THR  27          2HG2      THR  27  -1.709  -8.790   4.889
  350   HG23  THR  27          3HG2      THR  27  -1.256  -8.062   3.340
  351    HA   PRO  28           HA       PRO  28  -6.808  -7.819  -0.365
  352    HB2  PRO  28           2HB      PRO  28  -5.914  -8.180  -2.911
  353    HB3  PRO  28           3HB      PRO  28  -5.788  -6.619  -2.044
  354    HG2  PRO  28           2HG      PRO  28  -3.654  -8.764  -2.313
  355    HG3  PRO  28           3HG      PRO  28  -3.498  -7.007  -2.642
  356    HD2  PRO  28           2HD      PRO  28  -2.757  -8.098  -0.264
  357    HD3  PRO  28           3HD      PRO  28  -3.537  -6.485  -0.332
  358    H    LYS  29           H        LYS  29  -8.032  -9.416  -1.566
  359    HA   LYS  29           HA       LYS  29  -7.430 -12.140  -0.757
  360    HB2  LYS  29           2HB      LYS  29  -9.719 -12.611  -1.435
  361    HB3  LYS  29           3HB      LYS  29  -9.648 -11.162  -0.438
  362    HG2  LYS  29           2HG      LYS  29  -9.844  -9.733  -2.463
  363    HG3  LYS  29           3HG      LYS  29  -9.882 -11.180  -3.487
  364    HD2  LYS  29           2HD      LYS  29 -11.942 -11.943  -2.338
  365    HD3  LYS  29           3HD      LYS  29 -11.904 -10.492  -1.311
  366    HE2  LYS  29           2HE      LYS  29 -12.074  -9.059  -3.340
  367    HE3  LYS  29           3HE      LYS  29 -12.108 -10.502  -4.362
  368    HZ1  LYS  29           HZ1      LYS  29 -14.341  -9.666  -3.938
  369    HZ2  LYS  29           HZ2      LYS  29 -14.184 -11.147  -3.269
  370    HZ3  LYS  29           HZ3      LYS  29 -14.154  -9.812  -2.323
  371    H    THR  30           H        THR  30  -5.768 -11.014  -2.828
  372    HA   THR  30           HA       THR  30  -6.189 -12.104  -5.433
  373    HB   THR  30           HB       THR  30  -3.531 -11.488  -4.092
  374    HG1  THR  30           HG1      THR  30  -3.883  -9.431  -5.031
  375   HG21  THR  30          1HG2      THR  30  -3.266 -12.628  -6.270
  376   HG22  THR  30          2HG2      THR  30  -4.393 -11.480  -7.025
  377   HG23  THR  30          3HG2      THR  30  -2.818 -10.925  -6.409
  Start of MODEL   21
    1    H1   GLY   1           1H       GLY   1  -8.726   7.132   1.281
    2    H2   GLY   1           2H       GLY   1  -7.515   7.803   0.395
    3    H3   GLY   1           3H       GLY   1  -7.158   6.826   1.665
    4    HA2  GLY   1           HA2      GLY   1  -8.496   6.005  -0.834
    5    HA3  GLY   1           HA3      GLY   1  -6.815   5.657  -0.415
    6    H    ILE   2           H        ILE   2  -7.918   2.690   1.278
    7    HA   ILE   2           HA       ILE   2  -5.605   4.195   0.293
    8    HB   ILE   2           HB       ILE   2  -5.370   2.553   2.019
    9   HG12  ILE   2          2HG1      ILE   2  -3.886   1.839  -0.534
   10   HG13  ILE   2          3HG1      ILE   2  -3.499   3.160   0.576
   11   HG21  ILE   2          1HG2      ILE   2  -5.577   0.223   1.839
   12   HG22  ILE   2          2HG2      ILE   2  -7.095   0.859   1.222
   13   HG23  ILE   2          3HG2      ILE   2  -5.846   0.265   0.094
   14   HD11  ILE   2          3HD1      ILE   2  -1.992   1.386   1.065
   15   HD12  ILE   2          1HD1      ILE   2  -3.176   1.395   2.385
   16   HD13  ILE   2          2HD1      ILE   2  -3.291   0.180   1.089
   17    H    VAL   3           H        VAL   3  -7.167   1.278  -1.125
   18    HA   VAL   3           HA       VAL   3  -5.432   1.318  -3.307
   19    HB   VAL   3           HB       VAL   3  -6.688  -0.630  -2.409
   20   HG11  VAL   3          1HG1      VAL   3  -8.995   0.270  -4.185
   21   HG12  VAL   3          2HG1      VAL   3  -8.885  -1.230  -3.247
   22   HG13  VAL   3          3HG1      VAL   3  -8.986   0.323  -2.407
   23   HG21  VAL   3          3HG2      VAL   3  -6.838  -0.365  -5.437
   24   HG22  VAL   3          1HG2      VAL   3  -5.389  -0.789  -4.491
   25   HG23  VAL   3          2HG2      VAL   3  -6.791  -1.868  -4.499
   26    H    GLU   4           H        GLU   4  -8.521   2.956  -3.060
   27    HA   GLU   4           HA       GLU   4  -8.910   3.540  -5.853
   28    HB2  GLU   4           2HB      GLU   4  -9.912   4.951  -3.345
   29    HB3  GLU   4           3HB      GLU   4 -10.472   5.283  -4.989
   30    HG2  GLU   4           2HG      GLU   4 -11.211   2.910  -5.212
   31    HG3  GLU   4           3HG      GLU   4 -10.757   2.624  -3.529
   32    H    GLN   5           H        GLN   5  -6.486   4.653  -3.764
   33    HA   GLN   5           HA       GLN   5  -5.771   6.828  -5.712
   34    HB2  GLN   5           2HB      GLN   5  -5.177   6.657  -2.720
   35    HB3  GLN   5           3HB      GLN   5  -4.459   7.830  -3.832
   36    HG2  GLN   5           2HG      GLN   5  -6.680   8.779  -4.327
   37    HG3  GLN   5           3HG      GLN   5  -7.455   7.585  -3.281
   38   HE21  GLN   5          1HE2      GLN   5  -5.363  10.499  -3.266
   39   HE22  GLN   5          2HE2      GLN   5  -5.603  10.808  -1.552
   40    H    CYS   6           H        CYS   6  -4.492   4.365  -3.394
   41    HA   CYS   6           HA       CYS   6  -1.847   4.569  -4.503
   42    HB2  CYS   6           2HB      CYS   6  -3.095   2.689  -2.488
   43    HB3  CYS   6           3HB      CYS   6  -1.368   2.741  -2.836
   44    H    CYS   7           H        CYS   7  -4.370   2.838  -5.811
   45    HA   CYS   7           HA       CYS   7  -2.336   1.243  -7.333
   46    HB2  CYS   7           2HB      CYS   7  -4.055  -0.141  -6.265
   47    HB3  CYS   7           3HB      CYS   7  -5.329   0.796  -7.060
   48    H    THR   8           H        THR   8  -4.637   3.862  -7.528
   49    HA   THR   8           HA       THR   8  -4.852   3.797 -10.471
   50    HB   THR   8           HB       THR   8  -6.429   5.684 -10.092
   51    HG1  THR   8           HG1      THR   8  -6.967   5.990  -7.807
   52   HG21  THR   8          1HG2      THR   8  -7.247   3.317 -10.034
   53   HG22  THR   8          2HG2      THR   8  -7.018   3.297  -8.270
   54   HG23  THR   8          3HG2      THR   8  -8.195   4.404  -9.007
   55    H    SER   9           H        SER   9  -3.093   5.617  -8.022
   56    HA   SER   9           HA       SER   9  -1.566   6.989 -10.156
   57    HB2  SER   9           2HB      SER   9  -3.537   8.435  -9.475
   58    HB3  SER   9           3HB      SER   9  -2.804   8.546  -7.866
   59    HG   SER   9           HG       SER   9  -2.239  10.297  -9.336
   60    H    ILE  10           H        ILE  10   0.017   8.599  -8.681
   61    HA   ILE  10           HA       ILE  10   1.925   6.806  -7.466
   62    HB   ILE  10           HB       ILE  10   1.744   9.836  -7.275
   63   HG12  ILE  10          2HG1      ILE  10   1.994   9.090  -9.618
   64   HG13  ILE  10          3HG1      ILE  10   3.381   9.986  -9.025
   65   HG21  ILE  10          1HG2      ILE  10   4.232   9.671  -6.753
   66   HG22  ILE  10          2HG2      ILE  10   3.154   9.123  -5.475
   67   HG23  ILE  10          3HG2      ILE  10   3.994   7.929  -6.475
   68   HD11  ILE  10          3HD1      ILE  10   4.098   8.090 -10.391
   69   HD12  ILE  10          1HD1      ILE  10   4.649   7.879  -8.719
   70   HD13  ILE  10          2HD1      ILE  10   3.244   6.960  -9.328
   71    H    CYS  11           H        CYS  11   2.227   6.135  -5.458
   72    HA   CYS  11           HA       CYS  11   1.018   7.597  -3.184
   73    HB2  CYS  11           2HB      CYS  11  -0.644   6.048  -3.729
   74    HB3  CYS  11           3HB      CYS  11   0.494   4.711  -3.909
   75    H    SER  12           H        SER  12   1.971   7.186  -1.176
   76    HA   SER  12           HA       SER  12   4.910   6.712  -1.460
   77    HB2  SER  12           2HB      SER  12   3.548   9.322  -0.709
   78    HB3  SER  12           3HB      SER  12   5.280   9.059  -0.930
   79    HG   SER  12           HG       SER  12   4.191  10.083  -2.744
   80    H    LEU  13           H        LEU  13   6.106   6.998   0.516
   81    HA   LEU  13           HA       LEU  13   5.165   5.484   2.573
   82    HB2  LEU  13           2HB      LEU  13   7.133   6.171   3.815
   83    HB3  LEU  13           3HB      LEU  13   7.472   5.889   2.116
   84    HG   LEU  13           HG       LEU  13   7.092   8.620   2.087
   85   HD11  LEU  13          1HD1      LEU  13   8.265   9.608   3.987
   86   HD12  LEU  13          2HD1      LEU  13   6.879   8.699   4.604
   87   HD13  LEU  13          3HD1      LEU  13   8.505   8.012   4.725
   88   HD21  LEU  13          3HD2      LEU  13   9.691   7.147   2.677
   89   HD22  LEU  13          1HD2      LEU  13   8.972   7.414   1.072
   90   HD23  LEU  13          2HD2      LEU  13   9.547   8.794   2.021
   91    H    TYR  14           H        TYR  14   5.032   9.045   2.652
   92    HA   TYR  14           HA       TYR  14   4.068   9.161   5.362
   93    HB2  TYR  14           2HB      TYR  14   3.546  11.568   4.662
   94    HB3  TYR  14           3HB      TYR  14   5.223  11.042   4.538
   95    HD1  TYR  14           HD1      TYR  14   2.136  11.740   2.569
   96    HD2  TYR  14           HD2      TYR  14   6.382  11.024   2.434
   97    HE1  TYR  14           HE1      TYR  14   2.131  12.213   0.129
   98    HE2  TYR  14           HE2      TYR  14   6.407  11.567   0.016
   99    HH   TYR  14           HH       TYR  14   5.162  12.224  -1.814
  100    H    GLN  15           H        GLN  15   2.418   8.601   2.371
  101    HA   GLN  15           HA       GLN  15  -0.296   9.129   3.521
  102    HB2  GLN  15           2HB      GLN  15   0.812   8.404   0.783
  103    HB3  GLN  15           3HB      GLN  15  -0.885   8.122   1.150
  104    HG2  GLN  15           2HG      GLN  15   0.487  10.825   1.327
  105    HG3  GLN  15           3HG      GLN  15  -0.496  10.265  -0.017
  106   HE21  GLN  15          2HE2      GLN  15  -2.867   9.813   0.438
  107   HE22  GLN  15          1HE2      GLN  15  -3.616  10.706   1.753
  108    H    LEU  16           H        LEU  16   1.733   6.396   2.342
  109    HA   LEU  16           HA       LEU  16  -0.023   4.283   2.962
  110    HB2  LEU  16           2HB      LEU  16   2.970   4.632   2.818
  111    HB3  LEU  16           3HB      LEU  16   2.286   3.049   3.135
  112    HG   LEU  16           HG       LEU  16   1.672   4.713   0.654
  113   HD11  LEU  16          1HD1      LEU  16   3.607   2.400   1.086
  114   HD12  LEU  16          2HD1      LEU  16   3.196   3.122  -0.496
  115   HD13  LEU  16          3HD1      LEU  16   4.034   4.087   0.727
  116   HD21  LEU  16          3HD2      LEU  16   0.793   2.590  -0.262
  117   HD22  LEU  16          1HD2      LEU  16   1.142   1.770   1.266
  118   HD23  LEU  16          2HD2      LEU  16  -0.099   3.044   1.199
  119    H    GLU  17           H        GLU  17   2.274   5.979   5.102
  120    HA   GLU  17           HA       GLU  17   2.226   4.227   7.263
  121    HB2  GLU  17           2HB      GLU  17   3.641   6.294   6.907
  122    HB3  GLU  17           3HB      GLU  17   2.284   7.265   7.486
  123    HG2  GLU  17           2HG      GLU  17   2.366   6.070   9.655
  124    HG3  GLU  17           3HG      GLU  17   3.638   5.011   9.041
  125    H    ASN  18           H        ASN  18  -0.326   6.436   6.273
  126    HA   ASN  18           HA       ASN  18  -1.817   6.501   8.724
  127    HB2  ASN  18           2HB      ASN  18  -2.725   6.806   5.829
  128    HB3  ASN  18           3HB      ASN  18  -3.716   7.163   7.221
  129   HD21  ASN  18          2HD2      ASN  18  -1.183   8.313   5.206
  130   HD22  ASN  18          1HD2      ASN  18  -0.909   9.852   6.025
  131    H    TYR  19           H        TYR  19  -1.405   3.912   6.459
  132    HA   TYR  19           HA       TYR  19  -3.733   2.440   7.607
  133    HB2  TYR  19           2HB      TYR  19  -2.204   1.591   5.168
  134    HB3  TYR  19           3HB      TYR  19  -3.827   1.145   5.655
  135    HD1  TYR  19           HD2      TYR  19  -5.704   2.922   5.446
  136    HD2  TYR  19           HD1      TYR  19  -1.766   3.463   3.822
  137    HE1  TYR  19           HE2      TYR  19  -6.553   4.758   3.991
  138    HE2  TYR  19           HE1      TYR  19  -2.571   5.298   2.378
  139    HH   TYR  19           HH       TYR  19  -4.406   6.557   1.741
  140    H    CYS  20           H        CYS  20  -0.678   2.862   8.455
  141    HA   CYS  20           HA       CYS  20   0.365   0.162   8.720
  142    HB2  CYS  20           2HB      CYS  20   1.806   2.113   8.670
  143    HB3  CYS  20           3HB      CYS  20   1.041   2.761  10.117
  144    H    ASN  21           H        ASN  21   0.363  -1.184  10.551
  145    HA   ASN  21           HA       ASN  21  -2.068  -1.296  12.002
  146    HB2  ASN  21           2HB      ASN  21  -1.197  -3.237  13.082
  147    HB3  ASN  21           3HB      ASN  21  -0.669  -3.262  11.409
  148   HD21  ASN  21          1HD2      ASN  21   1.563  -3.275  10.976
  149   HD22  ASN  21          2HD2      ASN  21   2.782  -3.283  12.224
  150    H1   PHE   1           H        PHE   1  11.818   0.826  -1.172
  151    HA   PHE   1           HA       PHE   1  11.036   0.390  -3.852
  152    HB2  PHE   1           2HB      PHE   1   8.725   0.365  -3.875
  153    HB3  PHE   1           3HB      PHE   1   9.139  -0.766  -2.605
  154    HD1  PHE   1           HD2      PHE   1   9.239   0.248  -0.166
  155    HD2  PHE   1           HD1      PHE   1   7.175   2.077  -3.460
  156    HE1  PHE   1           HE2      PHE   1   7.873   1.568   1.438
  157    HE2  PHE   1           HE1      PHE   1   5.801   3.411  -1.865
  158    HZ   PHE   1           HZ       PHE   1   6.173   3.170   0.585
  159    H    VAL   2           H        VAL   2   9.721   2.341  -4.707
  160    HA   VAL   2           HA       VAL   2  10.322   4.917  -3.345
  161    HB   VAL   2           HB       VAL   2  10.985   4.402  -6.273
  162   HG11  VAL   2          1HG1      VAL   2  12.177   6.613  -6.110
  163   HG12  VAL   2          2HG1      VAL   2  10.437   6.746  -5.913
  164   HG13  VAL   2          3HG1      VAL   2  11.495   6.820  -4.483
  165   HG21  VAL   2          3HG2      VAL   2  12.932   4.664  -3.933
  166   HG22  VAL   2          1HG2      VAL   2  12.676   3.215  -4.934
  167   HG23  VAL   2          2HG2      VAL   2  13.390   4.658  -5.648
  168    H    ASN   3           H        ASN   3   8.881   6.565  -3.947
  169    HA   ASN   3           HA       ASN   3   6.218   6.134  -4.418
  170    HB2  ASN   3           2HB      ASN   3   7.805   8.547  -5.329
  171    HB3  ASN   3           3HB      ASN   3   6.073   8.497  -5.014
  172   HD21  ASN   3          2HD2      ASN   3   7.723  10.370  -3.746
  173   HD22  ASN   3          1HD2      ASN   3   7.826   9.966  -2.042
  174    H    GLN   4           H        GLN   4   5.058   5.268  -5.891
  175    HA   GLN   4           HA       GLN   4   5.228   5.754  -8.731
  176    HB2  GLN   4           2HB      GLN   4   5.879   3.597  -9.491
  177    HB3  GLN   4           3HB      GLN   4   7.144   4.218  -8.449
  178    HG2  GLN   4           2HG      GLN   4   6.131   2.794  -6.563
  179    HG3  GLN   4           3HG      GLN   4   5.089   2.072  -7.788
  180   HE21  GLN   4          2HE2      GLN   4   8.576   2.701  -7.114
  181   HE22  GLN   4          1HE2      GLN   4   9.132   1.217  -7.898
  182    H    HIS   5           H        HIS   5   3.680   3.848  -9.770
  183    HA   HIS   5           HA       HIS   5   1.134   4.376  -8.515
  184    HB2  HIS   5           2HB      HIS   5   1.861   2.730 -10.963
  185    HB3  HIS   5           3HB      HIS   5   0.238   3.255 -10.517
  186    HD2  HIS   5           HD2      HIS   5   3.346   4.451 -12.294
  187    HE1  HIS   5           HE1      HIS   5   0.813   7.863 -12.042
  188    HE2  HIS   5           HE2      HIS   5   2.938   6.924 -13.092
  189    H    LEU   6           H        LEU   6   3.295   1.855  -8.046
  190    HA   LEU   6           HA       LEU   6   3.304  -0.189  -7.016
  191    HB2  LEU   6           2HB      LEU   6   0.825   0.822  -5.582
  192    HB3  LEU   6           3HB      LEU   6   1.987  -0.349  -4.981
  193    HG   LEU   6           HG       LEU   6   2.549   2.609  -5.400
  194   HD11  LEU   6          1HD1      LEU   6   2.560   2.735  -2.956
  195   HD12  LEU   6          2HD1      LEU   6   0.985   2.200  -3.563
  196   HD13  LEU   6          3HD1      LEU   6   2.109   1.020  -2.857
  197   HD21  LEU   6          3HD2      LEU   6   4.651   2.241  -4.256
  198   HD22  LEU   6          1HD2      LEU   6   4.278   0.525  -4.024
  199   HD23  LEU   6          2HD2      LEU   6   4.590   1.146  -5.647
  200    H    CYS   7           H        CYS   7   1.143  -1.761  -6.025
  201    HA   CYS   7           HA       CYS   7  -0.867  -2.799  -6.343
  202    HB2  CYS   7           2HB      CYS   7  -1.429  -0.644  -7.531
  203    HB3  CYS   7           3HB      CYS   7  -1.193  -1.513  -9.049
  204    H    GLY   8           H        GLY   8   1.434  -3.003  -9.016
  205    HA2  GLY   8           HA2      GLY   8   0.453  -5.524 -10.112
  206    HA3  GLY   8           HA3      GLY   8   2.015  -4.745 -10.456
  207    H    SER   9           H        SER   9   0.264  -6.471  -7.940
  208    HA   SER   9           HA       SER   9   0.774  -8.081  -6.392
  209    HB2  SER   9           2HB      SER   9   3.600  -8.246  -7.498
  210    HB3  SER   9           3HB      SER   9   2.844  -9.329  -6.332
  211    HG   SER   9           HG       SER   9   2.778 -10.168  -8.488
  212    H    HIS  10           H        HIS  10   2.132  -5.077  -6.620
  213    HA   HIS  10           HA       HIS  10   3.646  -5.017  -4.141
  214    HB2  HIS  10           2HB      HIS  10   3.902  -3.726  -6.467
  215    HB3  HIS  10           3HB      HIS  10   2.907  -2.532  -5.648
  216    HD2  HIS  10           HD2      HIS  10   6.323  -3.959  -5.847
  217    HE1  HIS  10           HE1      HIS  10   6.492  -1.318  -2.510
  218    HE2  HIS  10           HE2      HIS  10   7.901  -2.741  -4.097
  219    H    LEU  11           H        LEU  11   2.839  -2.366  -3.362
  220    HA   LEU  11           HA       LEU  11   1.447  -1.021  -2.240
  221    HB2  LEU  11           2HB      LEU  11  -0.165  -1.962  -4.143
  222    HB3  LEU  11           3HB      LEU  11  -0.974  -2.721  -2.787
  223    HG   LEU  11           HG       LEU  11  -0.504   0.244  -3.309
  224   HD11  LEU  11          1HD1      LEU  11  -2.971   0.300  -3.427
  225   HD12  LEU  11          2HD1      LEU  11  -2.298  -0.866  -4.585
  226   HD13  LEU  11          3HD1      LEU  11  -3.025  -1.440  -3.066
  227   HD21  LEU  11          3HD2      LEU  11  -1.887   0.705  -1.292
  228   HD22  LEU  11          1HD2      LEU  11  -1.758  -1.005  -0.827
  229   HD23  LEU  11          2HD2      LEU  11  -0.310   0.032  -0.896
  230    H    VAL  12           H        VAL  12   0.308  -4.341  -1.673
  231    HA   VAL  12           HA       VAL  12   0.236  -4.254   1.211
  232    HB   VAL  12           HB       VAL  12   0.837  -6.440  -0.832
  233   HG11  VAL  12          1HG1      VAL  12   1.881  -7.237   1.244
  234   HG12  VAL  12          2HG1      VAL  12   0.399  -6.901   2.158
  235   HG13  VAL  12          3HG1      VAL  12   0.420  -8.164   0.916
  236   HG21  VAL  12          3HG2      VAL  12  -1.469  -5.611  -0.906
  237   HG22  VAL  12          1HG2      VAL  12  -1.440  -7.262  -0.289
  238   HG23  VAL  12          2HG2      VAL  12  -1.658  -5.903   0.838
  239    H    GLU  13           H        GLU  13   2.798  -5.026  -1.130
  240    HA   GLU  13           HA       GLU  13   4.962  -5.473   0.655
  241    HB2  GLU  13           2HB      GLU  13   5.024  -4.285  -2.144
  242    HB3  GLU  13           3HB      GLU  13   6.386  -5.020  -1.308
  243    HG2  GLU  13           2HG      GLU  13   3.842  -6.472  -2.184
  244    HG3  GLU  13           3HG      GLU  13   5.351  -6.442  -3.065
  245    H    ALA  14           H        ALA  14   3.886  -2.448  -0.983
  246    HA   ALA  14           HA       ALA  14   5.858  -0.708   0.084
  247    HB1  ALA  14           3HB      ALA  14   4.256  -0.217  -1.831
  248    HB2  ALA  14           1HB      ALA  14   2.966  -0.006  -0.624
  249    HB3  ALA  14           2HB      ALA  14   4.378   1.059  -0.633
  250    H    LEU  15           H        LEU  15   2.529  -1.393   1.294
  251    HA   LEU  15           HA       LEU  15   2.676   0.134   3.666
  252    HB2  LEU  15           2HB      LEU  15   1.148  -2.384   2.925
  253    HB3  LEU  15           3HB      LEU  15   1.026  -1.635   4.527
  254    HG   LEU  15           HG       LEU  15   0.187  -0.336   1.925
  255   HD11  LEU  15          1HD1      LEU  15  -1.187  -2.245   2.765
  256   HD12  LEU  15          2HD1      LEU  15  -1.382  -1.415   4.319
  257   HD13  LEU  15          3HD1      LEU  15  -2.070  -0.715   2.851
  258   HD21  LEU  15          3HD2      LEU  15  -0.788   1.404   3.376
  259   HD22  LEU  15          1HD2      LEU  15  -0.081   0.628   4.818
  260   HD23  LEU  15          2HD2      LEU  15   0.956   1.361   3.588
  261    H    TYR  16           H        TYR  16   3.631  -3.296   3.195
  262    HA   TYR  16           HA       TYR  16   4.475  -3.734   5.889
  263    HB2  TYR  16           2HB      TYR  16   4.120  -5.593   4.429
  264    HB3  TYR  16           3HB      TYR  16   5.247  -4.973   3.229
  265    HD1  TYR  16           HD2      TYR  16   5.049  -6.339   6.706
  266    HD2  TYR  16           HD1      TYR  16   7.574  -5.439   3.331
  267    HE1  TYR  16           HE2      TYR  16   6.953  -7.498   7.822
  268    HE2  TYR  16           HE1      TYR  16   9.487  -6.557   4.448
  269    HH   TYR  16           HH       TYR  16   9.174  -8.094   7.687
  270    H    LEU  17           H        LEU  17   6.343  -2.499   3.061
  271    HA   LEU  17           HA       LEU  17   8.832  -2.297   4.513
  272    HB2  LEU  17           2HB      LEU  17   7.812  -1.106   1.915
  273    HB3  LEU  17           3HB      LEU  17   9.449  -0.829   2.505
  274    HG   LEU  17           HG       LEU  17   8.309  -3.611   1.979
  275   HD11  LEU  17          1HD1      LEU  17   9.601  -3.582  -0.098
  276   HD12  LEU  17          2HD1      LEU  17   8.416  -2.265  -0.098
  277   HD13  LEU  17          3HD1      LEU  17  10.131  -1.916   0.227
  278   HD21  LEU  17          3HD2      LEU  17  10.189  -3.680   3.552
  279   HD22  LEU  17          1HD2      LEU  17  10.700  -4.292   1.980
  280   HD23  LEU  17          2HD2      LEU  17  11.161  -2.650   2.475
  281    H    VAL  18           H        VAL  18   6.246   0.082   3.926
  282    HA   VAL  18           HA       VAL  18   7.558   2.286   5.272
  283    HB   VAL  18           HB       VAL  18   4.618   1.676   4.767
  284   HG11  VAL  18          1HG1      VAL  18   4.660   3.224   6.677
  285   HG12  VAL  18          2HG1      VAL  18   5.829   4.269   5.835
  286   HG13  VAL  18          3HG1      VAL  18   4.175   4.079   5.217
  287   HG21  VAL  18          3HG2      VAL  18   6.076   2.098   2.788
  288   HG22  VAL  18          1HG2      VAL  18   4.840   3.323   3.006
  289   HG23  VAL  18          2HG2      VAL  18   6.527   3.665   3.468
  290    H    CYS  19           H        CYS  19   5.041   0.008   6.382
  291    HA   CYS  19           HA       CYS  19   4.943   1.009   9.065
  292    HB2  CYS  19           2HB      CYS  19   3.165  -0.199   7.685
  293    HB3  CYS  19           3HB      CYS  19   4.010  -1.695   8.044
  294    H    GLY  20           H        GLY  20   7.010  -1.419   7.651
  295    HA2  GLY  20           HA2      GLY  20   9.092  -2.039   8.430
  296    HA3  GLY  20           HA3      GLY  20   8.714  -1.348  10.024
  297    H    GLU  21           H        GLU  21   6.429  -2.850  10.693
  298    HA   GLU  21           HA       GLU  21   6.930  -5.695  10.484
  299    HB2  GLU  21           2HB      GLU  21   7.450  -6.076  12.873
  300    HB3  GLU  21           3HB      GLU  21   8.744  -5.286  11.991
  301    HG2  GLU  21           2HG      GLU  21   8.151  -3.109  12.967
  302    HG3  GLU  21           3HG      GLU  21   6.770  -3.825  13.798
  303    H    ARG  22           H        ARG  22   5.474  -6.994  11.690
  304    HA   ARG  22           HA       ARG  22   3.564  -7.703  12.560
  305    HB2  ARG  22           2HB      ARG  22   2.910  -4.948  13.614
  306    HB3  ARG  22           3HB      ARG  22   2.362  -6.502  14.218
  307    HG2  ARG  22           2HG      ARG  22   5.160  -5.344  14.393
  308    HG3  ARG  22           3HG      ARG  22   4.015  -5.517  15.706
  309    HD2  ARG  22           2HD      ARG  22   4.258  -7.880  15.780
  310    HD3  ARG  22           3HD      ARG  22   5.065  -7.940  14.200
  311    HE   ARG  22           HE       ARG  22   6.746  -6.317  15.580
  312   HH11  ARG  22          1HH1      ARG  22   5.590  -9.572  16.415
  313   HH12  ARG  22          2HH1      ARG  22   7.071  -9.936  17.252
  314   HH21  ARG  22          1HH2      ARG  22   8.493  -6.808  16.555
  315   HH22  ARG  22          2HH2      ARG  22   8.749  -8.354  17.359
  316    H    GLY  23           H        GLY  23   3.573  -5.787   9.958
  317    HA2  GLY  23           HA2      GLY  23   2.212  -6.097   8.094
  318    HA3  GLY  23           HA3      GLY  23   0.995  -6.878   9.120
  319    H    HIS  24           H        HIS  24  -0.749  -5.866   8.325
  320    HA   HIS  24           HA       HIS  24  -1.508  -3.204   9.081
  321    HB2  HIS  24           2HB      HIS  24  -1.675  -2.302   6.726
  322    HB3  HIS  24           3HB      HIS  24  -0.053  -2.395   7.377
  323    HD2  HIS  24           HD2      HIS  24   1.717  -3.656   5.976
  324    HE1  HIS  24           HE1      HIS  24  -0.851  -5.380   3.056
  325    HE2  HIS  24           HE2      HIS  24   1.576  -5.006   3.723
  326    H    PHE  25           H        PHE  25  -3.659  -2.603   8.183
  327    HA   PHE  25           HA       PHE  25  -5.360  -4.997   8.242
  328    HB2  PHE  25           2HB      PHE  25  -7.159  -3.405   8.688
  329    HB3  PHE  25           3HB      PHE  25  -5.813  -3.231   9.790
  330    HD1  PHE  25           HD2      PHE  25  -7.396  -1.709   6.740
  331    HD2  PHE  25           HD1      PHE  25  -4.755  -1.117  10.102
  332    HE1  PHE  25           HE2      PHE  25  -7.364   0.729   6.290
  333    HE2  PHE  25           HE1      PHE  25  -4.752   1.322   9.664
  334    HZ   PHE  25           HZ       PHE  25  -6.078   2.254   7.776
  335    H    TYR  26           H        TYR  26  -4.124  -3.134   5.662
  336    HA   TYR  26           HA       TYR  26  -6.403  -2.989   3.949
  337    HB2  TYR  26           2HB      TYR  26  -4.502  -1.637   3.475
  338    HB3  TYR  26           3HB      TYR  26  -3.421  -3.026   3.491
  339    HD1  TYR  26           HD2      TYR  26  -6.654  -2.387   1.620
  340    HD2  TYR  26           HD1      TYR  26  -2.448  -3.318   1.396
  341    HE1  TYR  26           HE2      TYR  26  -6.865  -2.780  -0.817
  342    HE2  TYR  26           HE1      TYR  26  -2.624  -3.571  -1.047
  343    HH   TYR  26           HH       TYR  26  -5.767  -3.293  -2.778
  344    H    THR  27           H        THR  27  -4.015  -5.547   4.367
  345    HA   THR  27           HA       THR  27  -3.649  -7.169   2.491
  346    HB   THR  27           HB       THR  27  -4.239  -9.222   3.810
  347    HG1  THR  27           HG1      THR  27  -6.019  -8.281   4.913
  348   HG21  THR  27          1HG2      THR  27  -2.595  -8.736   5.562
  349   HG22  THR  27          2HG2      THR  27  -2.061  -8.067   4.013
  350   HG23  THR  27          3HG2      THR  27  -2.736  -6.994   5.259
  351    HA   PRO  28           HA       PRO  28  -7.680  -7.058   0.462
  352    HB2  PRO  28           2HB      PRO  28  -6.907  -7.247  -2.151
  353    HB3  PRO  28           3HB      PRO  28  -6.706  -5.764  -1.166
  354    HG2  PRO  28           2HG      PRO  28  -4.648  -7.928  -1.713
  355    HG3  PRO  28           3HG      PRO  28  -4.451  -6.155  -1.882
  356    HD2  PRO  28           2HD      PRO  28  -3.641  -7.482   0.343
  357    HD3  PRO  28           3HD      PRO  28  -4.377  -5.851   0.467
  358    H    LYS  29           H        LYS  29  -9.042  -8.468  -0.796
  359    HA   LYS  29           HA       LYS  29  -8.143 -11.154  -1.538
  360    HB2  LYS  29           2HB      LYS  29  -8.575 -11.311   0.916
  361    HB3  LYS  29           3HB      LYS  29 -10.235 -10.764   0.649
  362    HG2  LYS  29           2HG      LYS  29 -10.691 -12.778  -0.712
  363    HG3  LYS  29           3HG      LYS  29  -8.999 -13.290  -0.539
  364    HD2  LYS  29           2HD      LYS  29  -9.313 -13.494   1.918
  365    HD3  LYS  29           3HD      LYS  29 -10.966 -12.892   1.759
  366    HE2  LYS  29           2HE      LYS  29 -11.105 -15.266   1.988
  367    HE3  LYS  29           3HE      LYS  29 -11.541 -14.858   0.327
  368    HZ1  LYS  29           HZ1      LYS  29 -10.032 -16.760   0.440
  369    HZ2  LYS  29           HZ2      LYS  29  -9.302 -15.535  -0.353
  370    HZ3  LYS  29           HZ3      LYS  29  -8.886 -15.876   1.195
  371    H    THR  30           H        THR  30  -9.313 -11.990  -3.167
  372    HA   THR  30           HA       THR  30 -11.254 -10.390  -4.602
  373    HB   THR  30           HB       THR  30 -11.374 -12.451  -6.082
  374    HG1  THR  30           HG1      THR  30 -10.685 -13.897  -4.413
  375   HG21  THR  30          1HG2      THR  30  -9.134 -12.107  -7.023
  376   HG22  THR  30          2HG2      THR  30  -9.864 -10.557  -6.570
  377   HG23  THR  30          3HG2      THR  30  -8.608 -11.279  -5.541
  Start of MODEL   22
    1    H1   GLY   1           1H       GLY   1 -11.242   3.644  -0.525
    2    H2   GLY   1           2H       GLY   1 -10.506   4.273   0.797
    3    H3   GLY   1           3H       GLY   1 -11.752   3.222   0.974
    4    HA2  GLY   1           HA2      GLY   1  -9.683   2.104   1.456
    5    HA3  GLY   1           HA3      GLY   1 -10.472   1.425   0.021
    6    H    ILE   2           H        ILE   2  -7.596   1.471   0.798
    7    HA   ILE   2           HA       ILE   2  -6.079   3.466  -0.416
    8    HB   ILE   2           HB       ILE   2  -5.311   1.753   1.205
    9   HG12  ILE   2          2HG1      ILE   2  -3.550   2.085  -1.256
   10   HG13  ILE   2          3HG1      ILE   2  -3.756   3.248   0.050
   11   HG21  ILE   2          1HG2      ILE   2  -4.959  -0.127  -1.170
   12   HG22  ILE   2          2HG2      ILE   2  -4.549  -0.436   0.525
   13   HG23  ILE   2          3HG2      ILE   2  -6.237  -0.282   0.056
   14   HD11  ILE   2          3HD1      ILE   2  -1.733   2.114   0.521
   15   HD12  ILE   2          1HD1      ILE   2  -2.911   1.392   1.634
   16   HD13  ILE   2          2HD1      ILE   2  -2.431   0.525   0.166
   17    H    VAL   3           H        VAL   3  -7.367   0.655  -2.064
   18    HA   VAL   3           HA       VAL   3  -5.997   0.783  -4.508
   19    HB   VAL   3           HB       VAL   3  -7.469  -1.027  -3.804
   20   HG11  VAL   3          1HG1      VAL   3  -9.377   0.246  -2.885
   21   HG12  VAL   3          2HG1      VAL   3  -9.849   0.724  -4.532
   22   HG13  VAL   3          3HG1      VAL   3  -9.884  -0.983  -4.046
   23   HG21  VAL   3          3HG2      VAL   3  -6.864  -0.836  -6.209
   24   HG22  VAL   3          1HG2      VAL   3  -8.413  -1.644  -5.950
   25   HG23  VAL   3          2HG2      VAL   3  -8.382   0.037  -6.509
   26    H    GLU   4           H        GLU   4  -8.496   2.969  -3.345
   27    HA   GLU   4           HA       GLU   4  -9.104   4.173  -5.934
   28    HB2  GLU   4           2HB      GLU   4  -9.606   5.166  -3.100
   29    HB3  GLU   4           3HB      GLU   4 -10.278   5.868  -4.572
   30    HG2  GLU   4           2HG      GLU   4 -11.498   3.793  -5.068
   31    HG3  GLU   4           3HG      GLU   4 -10.813   3.011  -3.641
   32    H    GLN   5           H        GLN   5  -6.433   4.430  -3.794
   33    HA   GLN   5           HA       GLN   5  -5.534   7.018  -5.017
   34    HB2  GLN   5           2HB      GLN   5  -5.789   7.184  -2.583
   35    HB3  GLN   5           3HB      GLN   5  -4.858   5.715  -2.332
   36    HG2  GLN   5           2HG      GLN   5  -3.524   7.698  -1.822
   37    HG3  GLN   5           3HG      GLN   5  -2.816   6.816  -3.160
   38   HE21  GLN   5          2HE2      GLN   5  -2.377   7.996  -5.091
   39   HE22  GLN   5          1HE2      GLN   5  -2.948   9.642  -5.298
   40    H    CYS   6           H        CYS   6  -3.732   4.298  -3.480
   41    HA   CYS   6           HA       CYS   6  -1.450   4.895  -4.955
   42    HB2  CYS   6           2HB      CYS   6  -2.327   2.334  -3.599
   43    HB3  CYS   6           3HB      CYS   6  -0.699   2.594  -4.210
   44    H    CYS   7           H        CYS   7  -3.858   2.392  -5.819
   45    HA   CYS   7           HA       CYS   7  -2.340   1.346  -8.047
   46    HB2  CYS   7           2HB      CYS   7  -5.304   1.210  -7.394
   47    HB3  CYS   7           3HB      CYS   7  -4.501   0.276  -8.651
   48    H    THR   8           H        THR   8  -4.228   4.208  -7.758
   49    HA   THR   8           HA       THR   8  -4.681   4.482 -10.708
   50    HB   THR   8           HB       THR   8  -6.040   5.819  -8.330
   51    HG1  THR   8           HG1      THR   8  -7.726   4.412  -8.900
   52   HG21  THR   8          1HG2      THR   8  -7.773   6.457 -10.025
   53   HG22  THR   8          2HG2      THR   8  -6.227   7.263 -10.305
   54   HG23  THR   8          3HG2      THR   8  -6.695   5.874 -11.315
   55    H    SER   9           H        SER   9  -3.225   6.040  -7.879
   56    HA   SER   9           HA       SER   9  -1.660   7.883  -9.561
   57    HB2  SER   9           2HB      SER   9  -3.959   8.952  -9.049
   58    HB3  SER   9           3HB      SER   9  -3.464   8.967  -7.365
   59    HG   SER   9           HG       SER   9  -2.942  10.943  -8.523
   60    H    ILE  10           H        ILE  10   0.080   8.818  -8.460
   61    HA   ILE  10           HA       ILE  10   1.312   6.733  -6.982
   62    HB   ILE  10           HB       ILE  10   2.346   9.490  -7.706
   63   HG12  ILE  10          2HG1      ILE  10   2.270   6.741  -9.012
   64   HG13  ILE  10          3HG1      ILE  10   1.700   8.276  -9.653
   65   HG21  ILE  10          1HG2      ILE  10   3.672   8.569  -5.834
   66   HG22  ILE  10          2HG2      ILE  10   3.873   7.040  -6.714
   67   HG23  ILE  10          3HG2      ILE  10   4.598   8.552  -7.317
   68   HD11  ILE  10          3HD1      ILE  10   3.650   7.540 -10.811
   69   HD12  ILE  10          1HD1      ILE  10   4.016   9.037  -9.914
   70   HD13  ILE  10          2HD1      ILE  10   4.587   7.456  -9.301
   71    H    CYS  11           H        CYS  11   1.791   6.346  -4.979
   72    HA   CYS  11           HA       CYS  11   1.301   8.394  -2.876
   73    HB2  CYS  11           2HB      CYS  11   0.312   6.736  -1.476
   74    HB3  CYS  11           3HB      CYS  11  -0.506   6.699  -3.031
   75    H    SER  12           H        SER  12   2.438   7.898  -0.824
   76    HA   SER  12           HA       SER  12   5.143   6.696  -1.138
   77    HB2  SER  12           2HB      SER  12   4.585   9.602  -0.434
   78    HB3  SER  12           3HB      SER  12   6.178   8.845  -0.441
   79    HG   SER  12           HG       SER  12   5.975   8.568  -2.717
   80    H    LEU  13           H        LEU  13   6.393   7.116   1.011
   81    HA   LEU  13           HA       LEU  13   5.336   5.601   2.974
   82    HB2  LEU  13           2HB      LEU  13   7.120   6.419   4.414
   83    HB3  LEU  13           3HB      LEU  13   7.649   6.151   2.764
   84    HG   LEU  13           HG       LEU  13   7.096   8.850   2.659
   85   HD11  LEU  13          1HD1      LEU  13   8.001   9.937   4.637
   86   HD12  LEU  13          2HD1      LEU  13   6.639   8.930   5.145
   87   HD13  LEU  13          3HD1      LEU  13   8.294   8.371   5.425
   88   HD21  LEU  13          3HD2      LEU  13   9.530   9.184   2.828
   89   HD22  LEU  13          1HD2      LEU  13   9.714   7.556   3.519
   90   HD23  LEU  13          2HD2      LEU  13   9.141   7.763   1.848
   91    H    TYR  14           H        TYR  14   4.993   9.155   3.061
   92    HA   TYR  14           HA       TYR  14   3.728   9.178   5.651
   93    HB2  TYR  14           2HB      TYR  14   3.182  11.557   4.960
   94    HB3  TYR  14           3HB      TYR  14   4.891  11.117   4.926
   95    HD1  TYR  14           HD2      TYR  14   1.901  11.786   2.804
   96    HD2  TYR  14           HD1      TYR  14   6.163  11.143   2.891
   97    HE1  TYR  14           HE2      TYR  14   2.036  12.397   0.405
   98    HE2  TYR  14           HE1      TYR  14   6.314  11.726   0.496
   99    HH   TYR  14           HH       TYR  14   5.145  12.401  -1.399
  100    H    GLN  15           H        GLN  15   2.469   8.620   2.474
  101    HA   GLN  15           HA       GLN  15  -0.391   8.990   3.271
  102    HB2  GLN  15           2HB      GLN  15   1.098   8.324   0.708
  103    HB3  GLN  15           3HB      GLN  15  -0.611   7.934   0.875
  104    HG2  GLN  15           2HG      GLN  15  -1.168  10.279   1.286
  105    HG3  GLN  15           3HG      GLN  15   0.534  10.722   1.156
  106   HE21  GLN  15          2HE2      GLN  15   1.510  10.825  -1.005
  107   HE22  GLN  15          1HE2      GLN  15   0.508  10.620  -2.431
  108    H    LEU  16           H        LEU  16   1.921   6.392   2.320
  109    HA   LEU  16           HA       LEU  16   0.217   4.175   2.672
  110    HB2  LEU  16           2HB      LEU  16   3.194   4.647   2.836
  111    HB3  LEU  16           3HB      LEU  16   2.542   3.027   3.013
  112    HG   LEU  16           HG       LEU  16   2.142   4.782   0.543
  113   HD11  LEU  16          1HD1      LEU  16   4.505   4.146   0.830
  114   HD12  LEU  16          2HD1      LEU  16   4.044   2.439   1.038
  115   HD13  LEU  16          3HD1      LEU  16   3.786   3.254  -0.520
  116   HD21  LEU  16          3HD2      LEU  16   0.361   3.064   0.846
  117   HD22  LEU  16          1HD2      LEU  16   1.413   2.690  -0.531
  118   HD23  LEU  16          2HD2      LEU  16   1.620   1.813   0.991
  119    H    GLU  17           H        GLU  17   2.150   5.916   5.104
  120    HA   GLU  17           HA       GLU  17   1.912   4.106   7.216
  121    HB2  GLU  17           2HB      GLU  17   3.271   6.231   7.072
  122    HB3  GLU  17           3HB      GLU  17   1.812   7.138   7.482
  123    HG2  GLU  17           2HG      GLU  17   1.666   5.926   9.632
  124    HG3  GLU  17           3HG      GLU  17   3.031   4.905   9.174
  125    H    ASN  18           H        ASN  18  -0.597   6.205   5.911
  126    HA   ASN  18           HA       ASN  18  -2.368   6.169   8.183
  127    HB2  ASN  18           2HB      ASN  18  -2.949   6.527   5.213
  128    HB3  ASN  18           3HB      ASN  18  -4.119   6.771   6.485
  129   HD21  ASN  18          2HD2      ASN  18  -1.337   8.102   4.916
  130   HD22  ASN  18          1HD2      ASN  18  -1.289   9.629   5.798
  131    H    TYR  19           H        TYR  19  -1.565   3.648   5.957
  132    HA   TYR  19           HA       TYR  19  -3.947   2.054   6.780
  133    HB2  TYR  19           2HB      TYR  19  -2.079   1.355   4.530
  134    HB3  TYR  19           3HB      TYR  19  -3.723   0.802   4.801
  135    HD1  TYR  19           HD2      TYR  19  -5.665   2.427   4.339
  136    HD2  TYR  19           HD1      TYR  19  -1.580   3.358   3.396
  137    HE1  TYR  19           HE2      TYR  19  -6.426   4.291   2.873
  138    HE2  TYR  19           HE1      TYR  19  -2.302   5.224   1.941
  139    HH   TYR  19           HH       TYR  19  -5.793   6.013   1.478
  140    H    CYS  20           H        CYS  20  -1.030   2.596   7.965
  141    HA   CYS  20           HA       CYS  20   0.081  -0.073   8.357
  142    HB2  CYS  20           2HB      CYS  20   1.439   1.963   8.312
  143    HB3  CYS  20           3HB      CYS  20   0.574   2.591   9.713
  144    H    ASN  21           H        ASN  21  -0.157  -1.429  10.176
  145    HA   ASN  21           HA       ASN  21  -2.582  -1.223  11.725
  146    HB2  ASN  21           2HB      ASN  21  -0.119  -2.993  11.984
  147    HB3  ASN  21           3HB      ASN  21  -1.477  -3.092  13.092
  148   HD21  ASN  21          1HD2      ASN  21  -0.707  -5.316  11.607
  149   HD22  ASN  21          2HD2      ASN  21  -2.034  -5.689  10.514
  150    H1   PHE   1           H        PHE   1  11.919   0.909  -1.453
  151    HA   PHE   1           HA       PHE   1  10.944  -0.293  -3.853
  152    HB2  PHE   1           2HB      PHE   1   8.601   0.022  -3.686
  153    HB3  PHE   1           3HB      PHE   1   9.123  -0.956  -2.335
  154    HD1  PHE   1           HD1      PHE   1   9.396   0.130  -0.060
  155    HD2  PHE   1           HD2      PHE   1   7.485   2.112  -3.351
  156    HE1  PHE   1           HE1      PHE   1   8.240   1.646   1.545
  157    HE2  PHE   1           HE2      PHE   1   6.331   3.651  -1.759
  158    HZ   PHE   1           HZ       PHE   1   6.700   3.402   0.690
  159    H    VAL   2           H        VAL   2   9.789   1.333  -5.268
  160    HA   VAL   2           HA       VAL   2  10.790   4.132  -4.869
  161    HB   VAL   2           HB       VAL   2  10.829   2.546  -7.472
  162   HG11  VAL   2          1HG1      VAL   2  10.463   4.921  -7.943
  163   HG12  VAL   2          2HG1      VAL   2  11.789   5.377  -6.848
  164   HG13  VAL   2          3HG1      VAL   2  12.122   4.502  -8.357
  165   HG21  VAL   2          3HG2      VAL   2  12.645   1.768  -6.000
  166   HG22  VAL   2          1HG2      VAL   2  13.312   2.733  -7.315
  167   HG23  VAL   2          2HG2      VAL   2  13.146   3.447  -5.696
  168    H    ASN   3           H        ASN   3   9.432   5.746  -5.552
  169    HA   ASN   3           HA       ASN   3   6.657   5.304  -5.543
  170    HB2  ASN   3           2HB      ASN   3   6.391   7.613  -5.890
  171    HB3  ASN   3           3HB      ASN   3   7.821   7.408  -4.899
  172   HD21  ASN   3          2HD2      ASN   3   9.923   8.003  -5.818
  173   HD22  ASN   3          1HD2      ASN   3  10.006   8.881  -7.331
  174    H    GLN   4           H        GLN   4   5.093   5.057  -6.921
  175    HA   GLN   4           HA       GLN   4   4.982   5.319  -9.730
  176    HB2  GLN   4           2HB      GLN   4   5.153   3.028 -10.473
  177    HB3  GLN   4           3HB      GLN   4   6.672   3.504  -9.751
  178    HG2  GLN   4           2HG      GLN   4   5.801   2.363  -7.579
  179    HG3  GLN   4           3HG      GLN   4   4.554   1.650  -8.604
  180   HE21  GLN   4          2HE2      GLN   4   7.905   1.525  -7.641
  181   HE22  GLN   4          1HE2      GLN   4   8.361   0.188  -8.699
  182    H    HIS   5           H        HIS   5   3.022   3.731 -10.464
  183    HA   HIS   5           HA       HIS   5   0.828   4.306  -8.638
  184    HB2  HIS   5           2HB      HIS   5   0.878   2.899 -11.332
  185    HB3  HIS   5           3HB      HIS   5  -0.565   3.421 -10.461
  186    HD2  HIS   5           HD2      HIS   5   2.100   4.690 -12.812
  187    HE1  HIS   5           HE1      HIS   5  -0.222   8.099 -11.765
  188    HE2  HIS   5           HE2      HIS   5   1.582   7.216 -13.333
  189    H    LEU   6           H        LEU   6   2.127   2.855  -7.043
  190    HA   LEU   6           HA       LEU   6   2.436   0.098  -7.110
  191    HB2  LEU   6           2HB      LEU   6   1.617   1.854  -4.762
  192    HB3  LEU   6           3HB      LEU   6   2.224   0.215  -4.590
  193    HG   LEU   6           HG       LEU   6   3.870   2.469  -5.808
  194   HD11  LEU   6          1HD1      LEU   6   3.669   1.472  -2.960
  195   HD12  LEU   6          2HD1      LEU   6   4.957   2.546  -3.566
  196   HD13  LEU   6          3HD1      LEU   6   3.272   3.089  -3.562
  197   HD21  LEU   6          3HD2      LEU   6   4.704  -0.231  -4.673
  198   HD22  LEU   6          1HD2      LEU   6   4.678   0.204  -6.401
  199   HD23  LEU   6          2HD2      LEU   6   5.788   1.025  -5.298
  200    H    CYS   7           H        CYS   7   1.153  -1.668  -7.088
  201    HA   CYS   7           HA       CYS   7  -1.555  -1.563  -5.902
  202    HB2  CYS   7           2HB      CYS   7  -1.608  -0.785  -8.368
  203    HB3  CYS   7           3HB      CYS   7  -1.327  -2.484  -8.761
  204    H    GLY   8           H        GLY   8  -2.318  -3.607  -5.235
  205    HA2  GLY   8           HA2      GLY   8  -2.272  -5.866  -4.719
  206    HA3  GLY   8           HA3      GLY   8  -1.416  -6.108  -6.251
  207    H    SER   9           H        SER   9   0.456  -7.147  -5.991
  208    HA   SER   9           HA       SER   9   1.809  -7.652  -3.547
  209    HB2  SER   9           2HB      SER   9   3.681  -8.364  -5.067
  210    HB3  SER   9           3HB      SER   9   2.113  -9.115  -5.395
  211    HG   SER   9           HG       SER   9   3.151  -8.410  -7.331
  212    H    HIS  10           H        HIS  10   2.800  -5.340  -6.142
  213    HA   HIS  10           HA       HIS  10   4.923  -4.021  -4.912
  214    HB2  HIS  10           2HB      HIS  10   2.649  -3.024  -6.676
  215    HB3  HIS  10           3HB      HIS  10   3.911  -1.949  -6.121
  216    HD2  HIS  10           HD2      HIS  10   5.301  -5.329  -6.981
  217    HE1  HIS  10           HE1      HIS  10   6.016  -2.836 -10.357
  218    HE2  HIS  10           HE2      HIS  10   6.562  -5.087  -9.285
  219    H    LEU  11           H        LEU  11   1.463  -3.398  -4.335
  220    HA   LEU  11           HA       LEU  11   1.978  -1.159  -2.548
  221    HB2  LEU  11           2HB      LEU  11   0.040  -1.322  -4.052
  222    HB3  LEU  11           3HB      LEU  11  -0.566  -2.720  -3.173
  223    HG   LEU  11           HG       LEU  11  -0.989  -1.334  -1.197
  224   HD11  LEU  11          1HD1      LEU  11  -0.666   1.161  -1.352
  225   HD12  LEU  11          2HD1      LEU  11   0.846   0.270  -1.268
  226   HD13  LEU  11          3HD1      LEU  11   0.282   0.912  -2.828
  227   HD21  LEU  11          3HD2      LEU  11  -2.685  -1.448  -3.023
  228   HD22  LEU  11          1HD2      LEU  11  -2.748   0.098  -2.173
  229   HD23  LEU  11          2HD2      LEU  11  -1.980  -0.005  -3.767
  230    H    VAL  12           H        VAL  12   1.112  -4.591  -2.067
  231    HA   VAL  12           HA       VAL  12   1.023  -4.488   0.807
  232    HB   VAL  12           HB       VAL  12   1.679  -6.729  -1.159
  233   HG11  VAL  12          1HG1      VAL  12   1.335  -7.041   1.853
  234   HG12  VAL  12          2HG1      VAL  12   1.327  -8.368   0.677
  235   HG13  VAL  12          3HG1      VAL  12   2.789  -7.412   0.902
  236   HG21  VAL  12          3HG2      VAL  12  -0.531  -7.569  -0.663
  237   HG22  VAL  12          1HG2      VAL  12  -0.788  -6.326   0.579
  238   HG23  VAL  12          2HG2      VAL  12  -0.683  -5.872  -1.126
  239    H    GLU  13           H        GLU  13   3.730  -5.084  -1.440
  240    HA   GLU  13           HA       GLU  13   5.800  -5.455   0.491
  241    HB2  GLU  13           3HB      GLU  13   5.832  -4.329  -2.337
  242    HB3  GLU  13           2HB      GLU  13   7.290  -4.658  -1.416
  243    HG2  GLU  13           3HG      GLU  13   5.236  -6.839  -1.949
  244    HG3  GLU  13           2HG      GLU  13   6.458  -6.398  -3.127
  245    H    ALA  14           H        ALA  14   4.695  -2.446  -1.191
  246    HA   ALA  14           HA       ALA  14   6.484  -0.663   0.094
  247    HB1  ALA  14           3HB      ALA  14   3.666  -0.183  -0.989
  248    HB2  ALA  14           1HB      ALA  14   4.893   1.055  -0.678
  249    HB3  ALA  14           2HB      ALA  14   5.166  -0.143  -1.949
  250    H    LEU  15           H        LEU  15   3.088  -1.503   0.985
  251    HA   LEU  15           HA       LEU  15   2.982   0.055   3.347
  252    HB2  LEU  15           2HB      LEU  15   1.545  -2.475   2.454
  253    HB3  LEU  15           3HB      LEU  15   1.250  -1.727   4.038
  254    HG   LEU  15           HG       LEU  15   0.804  -0.330   1.406
  255   HD11  LEU  15          1HD1      LEU  15  -1.579  -0.769   1.846
  256   HD12  LEU  15          2HD1      LEU  15  -0.668  -2.285   1.777
  257   HD13  LEU  15          3HD1      LEU  15  -1.165  -1.619   3.345
  258   HD21  LEU  15          3HD2      LEU  15   1.214   1.244   3.294
  259   HD22  LEU  15          1HD2      LEU  15  -0.476   1.281   2.798
  260   HD23  LEU  15          2HD2      LEU  15   0.008   0.397   4.269
  261    H    TYR  16           H        TYR  16   4.122  -3.332   2.957
  262    HA   TYR  16           HA       TYR  16   4.731  -3.726   5.740
  263    HB2  TYR  16           2HB      TYR  16   4.593  -5.645   4.354
  264    HB3  TYR  16           3HB      TYR  16   5.706  -4.982   3.164
  265    HD1  TYR  16           HD2      TYR  16   5.622  -5.941   6.812
  266    HD2  TYR  16           HD1      TYR  16   7.961  -5.598   3.204
  267    HE1  TYR  16           HE2      TYR  16   7.590  -6.883   8.000
  268    HE2  TYR  16           HE1      TYR  16   9.932  -6.543   4.388
  269    HH   TYR  16           HH       TYR  16   9.803  -7.518   7.843
  270    H    LEU  17           H        LEU  17   6.771  -2.467   3.041
  271    HA   LEU  17           HA       LEU  17   9.130  -2.189   4.671
  272    HB2  LEU  17           2HB      LEU  17   8.262  -1.063   1.992
  273    HB3  LEU  17           3HB      LEU  17   9.833  -0.684   2.688
  274    HG   LEU  17           HG       LEU  17   8.887  -3.545   2.190
  275   HD11  LEU  17          1HD1      LEU  17   9.024  -2.300   0.062
  276   HD12  LEU  17          2HD1      LEU  17  10.688  -1.807   0.459
  277   HD13  LEU  17          3HD1      LEU  17  10.300  -3.520   0.188
  278   HD21  LEU  17          3HD2      LEU  17  11.650  -2.393   2.782
  279   HD22  LEU  17          1HD2      LEU  17  10.688  -3.433   3.857
  280   HD23  LEU  17          2HD2      LEU  17  11.311  -4.080   2.341
  281    H    VAL  18           H        VAL  18   6.489   0.077   3.991
  282    HA   VAL  18           HA       VAL  18   7.637   2.279   5.509
  283    HB   VAL  18           HB       VAL  18   4.768   1.613   4.745
  284   HG11  VAL  18          1HG1      VAL  18   5.824   4.190   5.999
  285   HG12  VAL  18          2HG1      VAL  18   4.221   3.984   5.259
  286   HG13  VAL  18          3HG1      VAL  18   4.630   3.082   6.715
  287   HG21  VAL  18          3HG2      VAL  18   6.332   2.141   2.886
  288   HG22  VAL  18          1HG2      VAL  18   5.086   3.361   3.082
  289   HG23  VAL  18          2HG2      VAL  18   6.737   3.677   3.669
  290    H    CYS  19           H        CYS  19   5.116  -0.130   6.325
  291    HA   CYS  19           HA       CYS  19   4.750   0.919   8.974
  292    HB2  CYS  19           2HB      CYS  19   3.030  -0.131   7.449
  293    HB3  CYS  19           3HB      CYS  19   3.767  -1.693   7.779
  294    H    GLY  20           H        GLY  20   6.546  -1.939   7.860
  295    HA2  GLY  20           HA2      GLY  20   8.252  -3.060   9.065
  296    HA3  GLY  20           HA3      GLY  20   7.613  -2.439  10.598
  297    H    GLU  21           H        GLU  21   8.083  -4.763  11.070
  298    HA   GLU  21           HA       GLU  21   6.669  -6.946   9.950
  299    HB2  GLU  21           2HB      GLU  21   7.981  -6.623  12.676
  300    HB3  GLU  21           3HB      GLU  21   7.422  -8.161  12.006
  301    HG2  GLU  21           2HG      GLU  21   8.956  -7.896  10.076
  302    HG3  GLU  21           3HG      GLU  21   9.566  -6.387  10.762
  303    H    ARG  22           H        ARG  22   5.444  -4.617  12.138
  304    HA   ARG  22           HA       ARG  22   3.323  -6.132  13.374
  305    HB2  ARG  22           2HB      ARG  22   2.333  -3.930  13.841
  306    HB3  ARG  22           3HB      ARG  22   4.005  -4.112  14.373
  307    HG2  ARG  22           2HG      ARG  22   4.816  -2.812  12.447
  308    HG3  ARG  22           3HG      ARG  22   3.159  -2.682  11.814
  309    HD2  ARG  22           2HD      ARG  22   2.457  -1.415  13.735
  310    HD3  ARG  22           3HD      ARG  22   4.001  -1.694  14.564
  311    HE   ARG  22           HE       ARG  22   4.730  -0.501  12.175
  312   HH11  ARG  22          1HH2      ARG  22   2.581   0.563  14.778
  313   HH12  ARG  22          2HH2      ARG  22   3.049   2.229  14.601
  314   HH21  ARG  22          1HH1      ARG  22   5.287   1.617  12.000
  315   HH22  ARG  22          2HH1      ARG  22   4.553   2.828  13.013
  316    H    GLY  23           H        GLY  23   3.710  -5.029  10.117
  317    HA2  GLY  23           HA2      GLY  23   2.469  -5.586   8.255
  318    HA3  GLY  23           HA3      GLY  23   1.344  -6.461   9.306
  319    H    HIS  24           H        HIS  24  -0.067  -5.620   7.560
  320    HA   HIS  24           HA       HIS  24  -1.415  -3.106   8.356
  321    HB2  HIS  24           2HB      HIS  24  -1.379  -2.327   5.986
  322    HB3  HIS  24           3HB      HIS  24   0.200  -2.324   6.764
  323    HD2  HIS  24           HD2      HIS  24   2.096  -3.717   5.648
  324    HE1  HIS  24           HE1      HIS  24  -0.157  -5.483   2.518
  325    HE2  HIS  24           HE2      HIS  24   2.188  -5.136   3.436
  326    H    PHE  25           H        PHE  25  -3.529  -2.839   7.350
  327    HA   PHE  25           HA       PHE  25  -4.918  -5.409   7.346
  328    HB2  PHE  25           2HB      PHE  25  -6.942  -4.007   7.491
  329    HB3  PHE  25           3HB      PHE  25  -5.761  -3.709   8.746
  330    HD1  PHE  25           HD1      PHE  25  -7.029  -2.345   5.480
  331    HD2  PHE  25           HD2      PHE  25  -4.979  -1.508   9.191
  332    HE1  PHE  25           HE1      PHE  25  -7.163   0.087   5.010
  333    HE2  PHE  25           HE2      PHE  25  -5.160   0.921   8.732
  334    HZ   PHE  25           HZ       PHE  25  -6.275   1.725   6.658
  335    H    TYR  26           H        TYR  26  -3.776  -3.410   4.778
  336    HA   TYR  26           HA       TYR  26  -5.750  -4.402   2.817
  337    HB2  TYR  26           2HB      TYR  26  -4.893  -2.206   2.439
  338    HB3  TYR  26           3HB      TYR  26  -3.231  -2.759   2.573
  339    HD1  TYR  26           HD1      TYR  26  -6.328  -3.198   0.463
  340    HD2  TYR  26           HD2      TYR  26  -2.036  -3.483   0.661
  341    HE1  TYR  26           HE1      TYR  26  -6.242  -3.639  -1.984
  342    HE2  TYR  26           HE2      TYR  26  -1.925  -3.895  -1.755
  343    HH   TYR  26           HH       TYR  26  -4.887  -4.018  -3.813
  344    H    THR  27           H        THR  27  -5.583  -6.645   3.138
  345    HA   THR  27           HA       THR  27  -3.181  -7.907   1.848
  346    HB   THR  27           HB       THR  27  -3.806  -9.972   3.079
  347    HG1  THR  27           HG1      THR  27  -5.923  -9.326   3.661
  348   HG21  THR  27          1HG2      THR  27  -1.939  -8.465   3.784
  349   HG22  THR  27          2HG2      THR  27  -3.063  -7.539   4.789
  350   HG23  THR  27          3HG2      THR  27  -2.729  -9.240   5.167
  351    HA   PRO  28           HA       PRO  28  -6.731  -8.024  -1.004
  352    HB2  PRO  28           2HB      PRO  28  -5.388  -7.990  -3.384
  353    HB3  PRO  28           3HB      PRO  28  -5.593  -6.541  -2.352
  354    HG2  PRO  28           2HG      PRO  28  -3.210  -8.422  -2.465
  355    HG3  PRO  28           3HG      PRO  28  -3.204  -6.631  -2.558
  356    HD2  PRO  28           2HD      PRO  28  -2.737  -7.937  -0.232
  357    HD3  PRO  28           3HD      PRO  28  -3.689  -6.419  -0.253
  358    H    LYS  29           H        LYS  29  -7.573  -9.519  -2.593
  359    HA   LYS  29           HA       LYS  29  -6.189 -11.984  -3.243
  360    HB2  LYS  29           2HB      LYS  29  -7.055 -12.316  -0.840
  361    HB3  LYS  29           3HB      LYS  29  -8.672 -12.129  -1.477
  362    HG2  LYS  29           2HG      LYS  29  -8.222 -14.462  -1.200
  363    HG3  LYS  29           3HG      LYS  29  -8.352 -14.127  -2.916
  364    HD2  LYS  29           2HD      LYS  29  -6.597 -15.714  -2.505
  365    HD3  LYS  29           3HD      LYS  29  -5.860 -14.254  -3.132
  366    HE2  LYS  29           2HE      LYS  29  -6.066 -14.668  -0.128
  367    HE3  LYS  29           3HE      LYS  29  -4.884 -15.608  -1.036
  368    HZ1  LYS  29           HZ1      LYS  29  -4.960 -12.637  -1.014
  369    HZ2  LYS  29           HZ2      LYS  29  -3.910 -13.575  -0.188
  370    HZ3  LYS  29           HZ3      LYS  29  -3.876 -13.567  -1.816
  371    H    THR  30           H        THR  30  -6.968 -12.891  -5.068
  372    HA   THR  30           HA       THR  30  -9.251 -11.620  -6.499
  373    HB   THR  30           HB       THR  30  -7.184 -13.620  -7.486
  374    HG1  THR  30           HG1      THR  30  -6.352 -11.561  -6.965
  375   HG21  THR  30          1HG2      THR  30  -9.231 -13.715  -8.857
  376   HG22  THR  30          2HG2      THR  30  -9.258 -11.940  -8.978
  377   HG23  THR  30          3HG2      THR  30  -7.949 -12.875  -9.739
  Start of MODEL   23
    1    H1   GLY   1           1H       GLY   1  -7.986   6.619  -0.194
    2    H2   GLY   1           2H       GLY   1  -9.609   6.847  -0.328
    3    H3   GLY   1           3H       GLY   1  -8.686   6.673  -1.671
    4    HA2  GLY   1           HA2      GLY   1  -9.227   4.592   0.345
    5    HA3  GLY   1           HA3      GLY   1  -9.867   4.632  -1.309
    6    H    ILE   2           H        ILE   2  -7.763   3.013   0.461
    7    HA   ILE   2           HA       ILE   2  -5.194   3.427  -0.310
    8    HB   ILE   2           HB       ILE   2  -5.847   2.007   1.518
    9   HG12  ILE   2          2HG1      ILE   2  -4.200   0.221   1.381
   10   HG13  ILE   2          3HG1      ILE   2  -4.074   0.394  -0.369
   11   HG21  ILE   2          1HG2      ILE   2  -6.586  -0.270   1.334
   12   HG22  ILE   2          2HG2      ILE   2  -7.719   0.730   0.426
   13   HG23  ILE   2          3HG2      ILE   2  -6.496  -0.239  -0.430
   14   HD11  ILE   2          3HD1      ILE   2  -3.036   2.577  -0.141
   15   HD12  ILE   2          1HD1      ILE   2  -3.449   2.637   1.584
   16   HD13  ILE   2          2HD1      ILE   2  -2.232   1.490   1.006
   17    H    VAL   3           H        VAL   3  -7.315   1.197  -2.157
   18    HA   VAL   3           HA       VAL   3  -5.203   0.434  -3.975
   19    HB   VAL   3           HB       VAL   3  -8.205   0.268  -4.433
   20   HG11  VAL   3          1HG1      VAL   3  -5.885  -1.107  -5.876
   21   HG12  VAL   3          2HG1      VAL   3  -7.602  -1.508  -6.093
   22   HG13  VAL   3          3HG1      VAL   3  -7.007   0.079  -6.579
   23   HG21  VAL   3          3HG2      VAL   3  -6.213  -1.784  -3.377
   24   HG22  VAL   3          1HG2      VAL   3  -7.544  -1.041  -2.462
   25   HG23  VAL   3          2HG2      VAL   3  -7.903  -2.131  -3.801
   26    H    GLU   4           H        GLU   4  -7.885   2.839  -4.299
   27    HA   GLU   4           HA       GLU   4  -7.284   3.546  -6.989
   28    HB2  GLU   4           2HB      GLU   4  -9.430   3.946  -5.595
   29    HB3  GLU   4           3HB      GLU   4  -8.598   5.339  -4.914
   30    HG2  GLU   4           2HG      GLU   4  -9.816   6.296  -6.629
   31    HG3  GLU   4           3HG      GLU   4  -8.264   6.073  -7.423
   32    H    GLN   5           H        GLN   5  -6.309   5.076  -3.882
   33    HA   GLN   5           HA       GLN   5  -5.005   7.301  -5.132
   34    HB2  GLN   5           2HB      GLN   5  -4.328   7.938  -2.947
   35    HB3  GLN   5           3HB      GLN   5  -5.942   7.240  -2.819
   36    HG2  GLN   5           2HG      GLN   5  -4.753   5.034  -2.156
   37    HG3  GLN   5           3HG      GLN   5  -3.275   5.980  -2.034
   38   HE21  GLN   5          2HE2      GLN   5  -2.854   6.464   0.123
   39   HE22  GLN   5          1HE2      GLN   5  -4.128   6.747   1.309
   40    H    CYS   6           H        CYS   6  -3.844   4.061  -4.517
   41    HA   CYS   6           HA       CYS   6  -1.013   4.869  -5.044
   42    HB2  CYS   6           2HB      CYS   6  -2.341   2.375  -3.950
   43    HB3  CYS   6           3HB      CYS   6  -0.645   2.438  -4.384
   44    H    CYS   7           H        CYS   7  -3.612   2.914  -6.491
   45    HA   CYS   7           HA       CYS   7  -1.739   1.849  -8.533
   46    HB2  CYS   7           2HB      CYS   7  -3.255   0.373  -7.208
   47    HB3  CYS   7           3HB      CYS   7  -4.633   1.162  -7.972
   48    H    THR   8           H        THR   8  -4.472   4.087  -8.315
   49    HA   THR   8           HA       THR   8  -4.468   4.501 -11.282
   50    HB   THR   8           HB       THR   8  -6.472   5.501  -9.224
   51    HG1  THR   8           HG1      THR   8  -7.672   3.789  -9.749
   52   HG21  THR   8          1HG2      THR   8  -7.927   5.778 -11.219
   53   HG22  THR   8          2HG2      THR   8  -6.492   6.806 -11.312
   54   HG23  THR   8          3HG2      THR   8  -6.570   5.311 -12.270
   55    H    SER   9           H        SER   9  -4.282   6.242  -8.174
   56    HA   SER   9           HA       SER   9  -2.767   8.466  -9.521
   57    HB2  SER   9           2HB      SER   9  -3.940   8.296  -6.725
   58    HB3  SER   9           3HB      SER   9  -3.020   9.657  -7.372
   59    HG   SER   9           HG       SER   9  -5.485   8.669  -8.433
   60    H    ILE  10           H        ILE  10  -0.970   9.295  -7.816
   61    HA   ILE  10           HA       ILE  10   0.821   6.970  -7.219
   62    HB   ILE  10           HB       ILE  10   1.427   9.941  -7.490
   63   HG12  ILE  10          2HG1      ILE  10   0.878   8.966  -9.691
   64   HG13  ILE  10          3HG1      ILE  10   2.546   9.479  -9.567
   65   HG21  ILE  10          1HG2      ILE  10   3.287   7.579  -7.008
   66   HG22  ILE  10          2HG2      ILE  10   3.821   9.200  -7.511
   67   HG23  ILE  10          3HG2      ILE  10   3.017   8.984  -5.958
   68   HD11  ILE  10          3HD1      ILE  10   1.617   6.584  -9.340
   69   HD12  ILE  10          1HD1      ILE  10   2.320   7.348 -10.778
   70   HD13  ILE  10          2HD1      ILE  10   3.305   7.161  -9.323
   71    H    CYS  11           H        CYS  11   1.505   6.559  -5.156
   72    HA   CYS  11           HA       CYS  11   0.754   8.445  -2.968
   73    HB2  CYS  11           2HB      CYS  11  -0.034   6.694  -1.600
   74    HB3  CYS  11           3HB      CYS  11  -0.822   6.508  -3.154
   75    H    SER  12           H        SER  12   1.935   7.910  -0.877
   76    HA   SER  12           HA       SER  12   4.752   7.034  -1.270
   77    HB2  SER  12           2HB      SER  12   3.861   9.820  -0.448
   78    HB3  SER  12           3HB      SER  12   5.497   9.202  -0.196
   79    HG   SER  12           HG       SER  12   4.183   9.669  -2.672
   80    H    LEU  13           H        LEU  13   5.988   7.147   0.770
   81    HA   LEU  13           HA       LEU  13   5.019   5.459   2.661
   82    HB2  LEU  13           2HB      LEU  13   6.992   6.034   3.968
   83    HB3  LEU  13           3HB      LEU  13   7.330   5.904   2.252
   84    HG   LEU  13           HG       LEU  13   6.954   8.626   2.460
   85   HD11  LEU  13          1HD1      LEU  13   8.378   7.797   5.031
   86   HD12  LEU  13          2HD1      LEU  13   8.123   9.450   4.431
   87   HD13  LEU  13          3HD1      LEU  13   6.748   8.483   4.979
   88   HD21  LEU  13          3HD2      LEU  13   9.410   8.798   2.408
   89   HD22  LEU  13          1HD2      LEU  13   9.549   7.101   2.919
   90   HD23  LEU  13          2HD2      LEU  13   8.832   7.508   1.344
   91    H    TYR  14           H        TYR  14   4.919   9.014   3.103
   92    HA   TYR  14           HA       TYR  14   3.959   8.855   5.810
   93    HB2  TYR  14           2HB      TYR  14   3.411  11.305   5.381
   94    HB3  TYR  14           3HB      TYR  14   5.092  10.818   5.170
   95    HD1  TYR  14           HD2      TYR  14   1.964  11.726   3.365
   96    HD2  TYR  14           HD1      TYR  14   6.196  10.981   3.037
   97    HE1  TYR  14           HE2      TYR  14   1.902  12.456   0.991
   98    HE2  TYR  14           HE1      TYR  14   6.164  11.757   0.689
   99    HH   TYR  14           HH       TYR  14   4.869  12.595  -1.040
  100    H    GLN  15           H        GLN  15   2.297   8.617   2.775
  101    HA   GLN  15           HA       GLN  15  -0.405   8.933   4.011
  102    HB2  GLN  15           2HB      GLN  15   0.669   8.555   1.196
  103    HB3  GLN  15           3HB      GLN  15  -1.015   8.194   1.556
  104    HG2  GLN  15           2HG      GLN  15   0.303  10.886   2.038
  105    HG3  GLN  15           3HG      GLN  15  -0.688  10.471   0.645
  106   HE21  GLN  15          2HE2      GLN  15  -3.045   9.945   1.057
  107   HE22  GLN  15          1HE2      GLN  15  -3.790  10.641   2.486
  108    H    LEU  16           H        LEU  16   1.689   6.372   2.559
  109    HA   LEU  16           HA       LEU  16  -0.065   4.185   3.000
  110    HB2  LEU  16           2HB      LEU  16   2.932   4.509   2.841
  111    HB3  LEU  16           3HB      LEU  16   2.217   2.924   3.056
  112    HG   LEU  16           HG       LEU  16   1.783   4.751   0.652
  113   HD11  LEU  16          1HD1      LEU  16   4.034   3.763   0.750
  114   HD12  LEU  16          2HD1      LEU  16   3.349   2.142   1.018
  115   HD13  LEU  16          3HD1      LEU  16   3.093   2.981  -0.528
  116   HD21  LEU  16          3HD2      LEU  16   0.751   1.954   1.258
  117   HD22  LEU  16          1HD2      LEU  16  -0.234   3.404   0.977
  118   HD23  LEU  16          2HD2      LEU  16   0.714   2.694  -0.342
  119    H    GLU  17           H        GLU  17   2.156   5.764   5.288
  120    HA   GLU  17           HA       GLU  17   2.153   3.811   7.286
  121    HB2  GLU  17           2HB      GLU  17   3.499   5.968   7.112
  122    HB3  GLU  17           3HB      GLU  17   2.113   6.807   7.813
  123    HG2  GLU  17           2HG      GLU  17   2.275   5.355   9.830
  124    HG3  GLU  17           3HG      GLU  17   3.600   4.460   9.086
  125    H    ASN  18           H        ASN  18  -0.463   5.990   6.430
  126    HA   ASN  18           HA       ASN  18  -1.964   5.871   8.873
  127    HB2  ASN  18           2HB      ASN  18  -2.841   6.340   5.993
  128    HB3  ASN  18           3HB      ASN  18  -3.884   6.542   7.380
  129   HD21  ASN  18          2HD2      ASN  18  -1.306   7.946   5.569
  130   HD22  ASN  18          1HD2      ASN  18  -1.160   9.435   6.507
  131    H    TYR  19           H        TYR  19  -1.431   3.386   6.528
  132    HA   TYR  19           HA       TYR  19  -3.793   1.837   7.482
  133    HB2  TYR  19           2HB      TYR  19  -2.069   1.215   5.088
  134    HB3  TYR  19           3HB      TYR  19  -3.671   0.586   5.460
  135    HD1  TYR  19           HD1      TYR  19  -5.689   2.162   5.258
  136    HD2  TYR  19           HD2      TYR  19  -1.742   3.281   3.982
  137    HE1  TYR  19           HE1      TYR  19  -6.623   4.170   4.126
  138    HE2  TYR  19           HE2      TYR  19  -2.637   5.287   2.858
  139    HH   TYR  19           HH       TYR  19  -6.156   6.111   3.011
  140    H    CYS  20           H        CYS  20  -0.790   2.270   8.496
  141    HA   CYS  20           HA       CYS  20   0.255  -0.418   8.806
  142    HB2  CYS  20           2HB      CYS  20   1.626   1.629   8.804
  143    HB3  CYS  20           3HB      CYS  20   0.824   2.177  10.272
  144    H    ASN  21           H        ASN  21  -0.030  -1.861  10.519
  145    HA   ASN  21           HA       ASN  21  -2.379  -1.667  12.153
  146    HB2  ASN  21           2HB      ASN  21   0.011  -3.545  12.189
  147    HB3  ASN  21           3HB      ASN  21  -1.335  -3.720  13.303
  148   HD21  ASN  21          2HD2      ASN  21  -0.533  -5.691  11.723
  149   HD22  ASN  21          1HD2      ASN  21  -1.922  -6.039  10.714
  150    H1   PHE   1           H        PHE   1  11.044   3.503  -1.206
  151    HA   PHE   1           HA       PHE   1  11.815   2.425  -3.842
  152    HB2  PHE   1           2HB      PHE   1   9.367   2.026  -4.351
  153    HB3  PHE   1           3HB      PHE   1  10.172   0.890  -3.291
  154    HD1  PHE   1           HD2      PHE   1   9.691   0.761  -0.936
  155    HD2  PHE   1           HD1      PHE   1   7.577   3.520  -3.462
  156    HE1  PHE   1           HE2      PHE   1   7.956   1.051   0.838
  157    HE2  PHE   1           HE1      PHE   1   5.834   3.803  -1.700
  158    HZ   PHE   1           HZ       PHE   1   6.035   2.546   0.454
  159    H    VAL   2           H        VAL   2  11.292   3.654  -5.618
  160    HA   VAL   2           HA       VAL   2  10.893   6.536  -5.222
  161    HB   VAL   2           HB       VAL   2  11.174   4.933  -7.795
  162   HG11  VAL   2          1HG1      VAL   2  10.205   7.106  -8.329
  163   HG12  VAL   2          2HG1      VAL   2  11.393   7.938  -7.297
  164   HG13  VAL   2          3HG1      VAL   2  11.901   7.125  -8.793
  165   HG21  VAL   2          3HG2      VAL   2  13.533   5.753  -7.792
  166   HG22  VAL   2          1HG2      VAL   2  13.274   6.469  -6.188
  167   HG23  VAL   2          2HG2      VAL   2  13.210   4.707  -6.411
  168    H    ASN   3           H        ASN   3   9.165   7.761  -6.108
  169    HA   ASN   3           HA       ASN   3   6.523   6.786  -5.854
  170    HB2  ASN   3           2HB      ASN   3   7.823   9.230  -7.055
  171    HB3  ASN   3           3HB      ASN   3   6.140   8.916  -7.439
  172   HD21  ASN   3          2HD2      ASN   3   7.689   8.188  -4.246
  173   HD22  ASN   3          1HD2      ASN   3   6.603   9.273  -3.385
  174    H    GLN   4           H        GLN   4   5.180   5.686  -7.077
  175    HA   GLN   4           HA       GLN   4   5.165   5.489  -9.947
  176    HB2  GLN   4           2HB      GLN   4   5.912   3.206 -10.188
  177    HB3  GLN   4           3HB      GLN   4   7.205   4.115  -9.421
  178    HG2  GLN   4           2HG      GLN   4   6.290   3.205  -7.164
  179    HG3  GLN   4           3HG      GLN   4   5.307   2.107  -8.134
  180   HE21  GLN   4          2HE2      GLN   4   8.603   2.940  -7.131
  181   HE22  GLN   4          1HE2      GLN   4   9.343   1.462  -7.756
  182    H    HIS   5           H        HIS   5   3.510   3.776 -10.623
  183    HA   HIS   5           HA       HIS   5   1.217   3.760  -8.822
  184    HB2  HIS   5           2HB      HIS   5   1.713   2.376 -11.481
  185    HB3  HIS   5           3HB      HIS   5   0.186   2.367 -10.599
  186    HD2  HIS   5           HD2      HIS   5   2.147   4.428 -13.050
  187    HE1  HIS   5           HE1      HIS   5  -1.071   6.929 -11.823
  188    HE2  HIS   5           HE2      HIS   5   0.818   6.651 -13.513
  189    H    LEU   6           H        LEU   6   0.939   2.406  -7.199
  190    HA   LEU   6           HA       LEU   6   2.291  -0.270  -7.119
  191    HB2  LEU   6           2HB      LEU   6   1.243   1.507  -4.879
  192    HB3  LEU   6           3HB      LEU   6   1.915  -0.104  -4.666
  193    HG   LEU   6           HG       LEU   6   3.459   2.331  -5.676
  194   HD11  LEU   6          1HD1      LEU   6   3.313   0.888  -3.022
  195   HD12  LEU   6          2HD1      LEU   6   4.538   2.124  -3.416
  196   HD13  LEU   6          3HD1      LEU   6   2.817   2.557  -3.350
  197   HD21  LEU   6          3HD2      LEU   6   5.464   0.919  -5.327
  198   HD22  LEU   6          1HD2      LEU   6   4.421  -0.461  -4.925
  199   HD23  LEU   6          2HD2      LEU   6   4.419   0.221  -6.570
  200    H    CYS   7           H        CYS   7   1.019  -1.950  -7.392
  201    HA   CYS   7           HA       CYS   7  -1.903  -1.827  -6.722
  202    HB2  CYS   7           2HB      CYS   7  -0.635  -3.008  -9.217
  203    HB3  CYS   7           3HB      CYS   7  -2.351  -2.993  -8.844
  204    H    GLY   8           H        GLY   8  -2.692  -3.688  -5.771
  205    HA2  GLY   8           HA2      GLY   8  -2.733  -5.790  -4.774
  206    HA3  GLY   8           HA3      GLY   8  -1.847  -6.308  -6.209
  207    H    SER   9           H        SER   9  -0.127  -7.461  -5.695
  208    HA   SER   9           HA       SER   9   1.170  -7.710  -3.238
  209    HB2  SER   9           2HB      SER   9   2.392  -8.079  -5.996
  210    HB3  SER   9           3HB      SER   9   2.937  -8.822  -4.480
  211    HG   SER   9           HG       SER   9   1.612 -10.253  -5.724
  212    H    HIS  10           H        HIS  10   1.996  -5.381  -5.877
  213    HA   HIS  10           HA       HIS  10   4.450  -4.475  -4.734
  214    HB2  HIS  10           2HB      HIS  10   3.050  -3.984  -7.076
  215    HB3  HIS  10           3HB      HIS  10   2.864  -2.454  -6.203
  216    HD2  HIS  10           HD2      HIS  10   5.890  -2.533  -4.857
  217    HE1  HIS  10           HE1      HIS  10   7.110  -2.138  -8.913
  218    HE2  HIS  10           HE2      HIS  10   7.842  -1.878  -6.488
  219    H    LEU  11           H        LEU  11   1.099  -3.489  -4.307
  220    HA   LEU  11           HA       LEU  11   1.561  -1.200  -2.585
  221    HB2  LEU  11           2HB      LEU  11  -0.517  -2.095  -4.112
  222    HB3  LEU  11           3HB      LEU  11  -1.033  -2.725  -2.559
  223    HG   LEU  11           HG       LEU  11  -0.462   0.175  -3.297
  224   HD11  LEU  11          1HD1      LEU  11  -3.045  -1.295  -2.592
  225   HD12  LEU  11          2HD1      LEU  11  -2.905   0.433  -2.947
  226   HD13  LEU  11          3HD1      LEU  11  -2.559  -0.753  -4.214
  227   HD21  LEU  11          3HD2      LEU  11  -1.382   0.772  -1.079
  228   HD22  LEU  11          1HD2      LEU  11  -1.389  -0.946  -0.621
  229   HD23  LEU  11          2HD2      LEU  11   0.144  -0.091  -0.945
  230    H    VAL  12           H        VAL  12   0.685  -4.624  -2.014
  231    HA   VAL  12           HA       VAL  12   0.663  -4.548   0.836
  232    HB   VAL  12           HB       VAL  12   1.365  -6.794  -1.105
  233   HG11  VAL  12          1HG1      VAL  12   2.481  -7.439   0.967
  234   HG12  VAL  12          2HG1      VAL  12   1.015  -7.093   1.906
  235   HG13  VAL  12          3HG1      VAL  12   1.042  -8.423   0.736
  236   HG21  VAL  12          3HG2      VAL  12  -0.978  -6.054  -1.167
  237   HG22  VAL  12          1HG2      VAL  12  -0.838  -7.682  -0.512
  238   HG23  VAL  12          2HG2      VAL  12  -1.123  -6.311   0.581
  239    H    GLU  13           H        GLU  13   3.489  -5.315  -1.323
  240    HA   GLU  13           HA       GLU  13   5.240  -5.561   0.944
  241    HB2  GLU  13           3HB      GLU  13   7.054  -5.755  -0.540
  242    HB3  GLU  13           2HB      GLU  13   5.694  -6.666  -1.188
  243    HG2  GLU  13           3HG      GLU  13   5.263  -4.855  -2.814
  244    HG3  GLU  13           2HG      GLU  13   6.610  -3.922  -2.164
  245    H    ALA  14           H        ALA  14   4.402  -2.710  -1.054
  246    HA   ALA  14           HA       ALA  14   6.326  -0.915   0.086
  247    HB1  ALA  14           3HB      ALA  14   3.531  -0.482  -1.072
  248    HB2  ALA  14           1HB      ALA  14   4.688   0.803  -0.720
  249    HB3  ALA  14           2HB      ALA  14   5.071  -0.404  -1.963
  250    H    LEU  15           H        LEU  15   2.898  -1.601   0.990
  251    HA   LEU  15           HA       LEU  15   2.788   0.006   3.305
  252    HB2  LEU  15           2HB      LEU  15   1.373  -2.533   2.457
  253    HB3  LEU  15           3HB      LEU  15   1.094  -1.827   4.050
  254    HG   LEU  15           HG       LEU  15   0.643  -0.268   1.512
  255   HD11  LEU  15          1HD1      LEU  15  -1.761  -0.775   1.858
  256   HD12  LEU  15          2HD1      LEU  15  -0.811  -2.237   1.548
  257   HD13  LEU  15          3HD1      LEU  15  -1.334  -1.852   3.205
  258   HD21  LEU  15          3HD2      LEU  15  -0.237   0.103   4.420
  259   HD22  LEU  15          1HD2      LEU  15   0.943   1.103   3.565
  260   HD23  LEU  15          2HD2      LEU  15  -0.750   1.132   3.062
  261    H    TYR  16           H        TYR  16   3.874  -3.400   3.002
  262    HA   TYR  16           HA       TYR  16   4.506  -3.748   5.771
  263    HB2  TYR  16           2HB      TYR  16   4.243  -5.640   4.289
  264    HB3  TYR  16           3HB      TYR  16   5.553  -5.081   3.251
  265    HD1  TYR  16           HD2      TYR  16   4.780  -6.347   6.682
  266    HD2  TYR  16           HD1      TYR  16   7.843  -5.534   3.761
  267    HE1  TYR  16           HE2      TYR  16   6.463  -7.449   8.147
  268    HE2  TYR  16           HE1      TYR  16   9.539  -6.605   5.227
  269    HH   TYR  16           HH       TYR  16   9.930  -7.683   7.235
  270    H    LEU  17           H        LEU  17   6.570  -2.505   3.047
  271    HA   LEU  17           HA       LEU  17   8.926  -2.350   4.657
  272    HB2  LEU  17           2HB      LEU  17   8.518  -2.198   1.996
  273    HB3  LEU  17           3HB      LEU  17   8.399  -0.487   2.340
  274    HG   LEU  17           HG       LEU  17  10.658  -0.713   3.545
  275   HD11  LEU  17          1HD1      LEU  17  10.707  -3.362   2.022
  276   HD12  LEU  17          2HD1      LEU  17  12.099  -2.609   2.827
  277   HD13  LEU  17          3HD1      LEU  17  10.733  -3.183   3.787
  278   HD21  LEU  17          3HD2      LEU  17  10.445   0.346   1.350
  279   HD22  LEU  17          1HD2      LEU  17  11.932  -0.610   1.413
  280   HD23  LEU  17          2HD2      LEU  17  10.514  -1.241   0.546
  281    H    VAL  18           H        VAL  18   6.398   0.031   3.937
  282    HA   VAL  18           HA       VAL  18   7.524   2.245   5.394
  283    HB   VAL  18           HB       VAL  18   4.656   1.532   4.665
  284   HG11  VAL  18          1HG1      VAL  18   4.077   3.897   5.073
  285   HG12  VAL  18          2HG1      VAL  18   4.507   3.081   6.571
  286   HG13  VAL  18          3HG1      VAL  18   5.677   4.176   5.795
  287   HG21  VAL  18          3HG2      VAL  18   6.569   3.596   3.498
  288   HG22  VAL  18          1HG2      VAL  18   6.269   2.002   2.799
  289   HG23  VAL  18          2HG2      VAL  18   4.948   3.163   2.900
  290    H    CYS  19           H        CYS  19   5.025  -0.135   6.328
  291    HA   CYS  19           HA       CYS  19   4.726   0.854   9.014
  292    HB2  CYS  19           2HB      CYS  19   3.009  -0.339   7.626
  293    HB3  CYS  19           3HB      CYS  19   3.942  -1.818   7.793
  294    H    GLY  20           H        GLY  20   6.712  -1.794   7.733
  295    HA2  GLY  20           HA2      GLY  20   8.481  -2.953   8.758
  296    HA3  GLY  20           HA3      GLY  20   8.070  -2.230  10.327
  297    H    GLU  21           H        GLU  21   8.372  -4.389  11.124
  298    HA   GLU  21           HA       GLU  21   6.998  -6.676  10.288
  299    HB2  GLU  21           2HB      GLU  21   7.762  -7.703  12.331
  300    HB3  GLU  21           3HB      GLU  21   9.023  -6.679  11.651
  301    HG2  GLU  21           2HG      GLU  21   8.446  -4.892  13.310
  302    HG3  GLU  21           3HG      GLU  21   7.208  -5.946  13.997
  303    H    ARG  22           H        ARG  22   5.557  -4.073  11.968
  304    HA   ARG  22           HA       ARG  22   3.493  -5.377  13.468
  305    HB2  ARG  22           2HB      ARG  22   3.701  -2.677  12.082
  306    HB3  ARG  22           3HB      ARG  22   2.299  -3.128  13.036
  307    HG2  ARG  22           2HG      ARG  22   5.159  -2.990  14.097
  308    HG3  ARG  22           3HG      ARG  22   3.961  -1.707  14.249
  309    HD2  ARG  22           2HD      ARG  22   3.708  -4.496  15.449
  310    HD3  ARG  22           3HD      ARG  22   4.174  -3.028  16.315
  311    HE   ARG  22           HE       ARG  22   1.724  -2.427  15.097
  312   HH11  ARG  22          2HH1      ARG  22   2.791  -4.726  17.575
  313   HH12  ARG  22          1HH1      ARG  22   1.223  -4.761  18.326
  314   HH21  ARG  22          1HH2      ARG  22  -0.214  -2.516  16.079
  315   HH22  ARG  22          2HH2      ARG  22  -0.476  -3.511  17.492
  316    H    GLY  23           H        GLY  23   3.793  -4.735  10.000
  317    HA2  GLY  23           HA2      GLY  23   2.540  -5.516   8.202
  318    HA3  GLY  23           HA3      GLY  23   1.562  -6.475   9.328
  319    H    HIS  24           H        HIS  24  -0.022  -5.736   7.600
  320    HA   HIS  24           HA       HIS  24  -1.478  -3.314   8.518
  321    HB2  HIS  24           2HB      HIS  24  -1.682  -2.550   6.150
  322    HB3  HIS  24           3HB      HIS  24  -0.056  -2.440   6.812
  323    HD2  HIS  24           HD2      HIS  24   1.851  -3.749   5.629
  324    HE1  HIS  24           HE1      HIS  24  -0.464  -5.606   2.585
  325    HE2  HIS  24           HE2      HIS  24   1.899  -5.151   3.401
  326    H    PHE  25           H        PHE  25  -3.628  -3.136   7.767
  327    HA   PHE  25           HA       PHE  25  -5.006  -5.714   7.711
  328    HB2  PHE  25           2HB      PHE  25  -7.013  -4.261   8.038
  329    HB3  PHE  25           3HB      PHE  25  -5.765  -4.086   9.251
  330    HD1  PHE  25           HD1      PHE  25  -7.004  -2.469   6.069
  331    HD2  PHE  25           HD2      PHE  25  -4.973  -1.943   9.844
  332    HE1  PHE  25           HE1      PHE  25  -6.973  -0.018   5.715
  333    HE2  PHE  25           HE2      PHE  25  -5.011   0.513   9.512
  334    HZ   PHE  25           HZ       PHE  25  -6.052   1.483   7.474
  335    H    TYR  26           H        TYR  26  -3.941  -3.649   5.201
  336    HA   TYR  26           HA       TYR  26  -6.183  -3.687   3.450
  337    HB2  TYR  26           2HB      TYR  26  -4.488  -2.100   3.034
  338    HB3  TYR  26           3HB      TYR  26  -3.213  -3.309   3.093
  339    HD1  TYR  26           HD2      TYR  26  -6.367  -2.754   1.075
  340    HD2  TYR  26           HD1      TYR  26  -2.210  -3.895   1.082
  341    HE1  TYR  26           HE2      TYR  26  -6.484  -3.225  -1.362
  342    HE2  TYR  26           HE1      TYR  26  -2.295  -4.232  -1.370
  343    HH   TYR  26           HH       TYR  26  -3.599  -4.227  -3.250
  344    H    THR  27           H        THR  27  -3.643  -6.080   3.892
  345    HA   THR  27           HA       THR  27  -3.077  -7.448   1.806
  346    HB   THR  27           HB       THR  27  -3.330  -9.650   2.992
  347    HG1  THR  27           HG1      THR  27  -5.180  -9.002   4.215
  348   HG21  THR  27          1HG2      THR  27  -2.082  -7.354   4.571
  349   HG22  THR  27          2HG2      THR  27  -1.689  -9.078   4.711
  350   HG23  THR  27          3HG2      THR  27  -1.320  -8.212   3.212
  351    HA   PRO  28           HA       PRO  28  -7.051  -7.605  -0.114
  352    HB2  PRO  28           2HB      PRO  28  -6.373  -7.900  -2.750
  353    HB3  PRO  28           3HB      PRO  28  -6.163  -6.393  -1.809
  354    HG2  PRO  28           2HG      PRO  28  -4.098  -8.542  -2.384
  355    HG3  PRO  28           3HG      PRO  28  -3.923  -6.767  -2.565
  356    HD2  PRO  28           2HD      PRO  28  -3.047  -8.093  -0.355
  357    HD3  PRO  28           3HD      PRO  28  -3.766  -6.456  -0.229
  358    H    LYS  29           H        LYS  29  -8.045 -11.014  -0.966
  359    HA   LYS  29           HA       LYS  29  -8.886  -8.433   0.135
  360    HB2  LYS  29           2HB      LYS  29  -8.656  -7.998  -2.318
  361    HB3  LYS  29           3HB      LYS  29  -9.750  -9.340  -2.651
  362    HG2  LYS  29           2HG      LYS  29 -11.585  -8.155  -1.522
  363    HG3  LYS  29           3HG      LYS  29 -10.476  -6.855  -1.035
  364    HD2  LYS  29           2HD      LYS  29 -10.114  -6.254  -3.404
  365    HD3  LYS  29           3HD      LYS  29 -11.084  -7.638  -3.920
  366    HE2  LYS  29           2HE      LYS  29 -12.457  -5.688  -4.121
  367    HE3  LYS  29           3HE      LYS  29 -13.083  -6.672  -2.798
  368    HZ1  LYS  29           HZ1      LYS  29 -12.991  -4.314  -2.222
  369    HZ2  LYS  29           HZ2      LYS  29 -11.996  -5.154  -1.239
  370    HZ3  LYS  29           HZ3      LYS  29 -11.378  -4.262  -2.466
  371    H    THR  30           H        THR  30 -10.856  -8.478   1.081
  372    HA   THR  30           HA       THR  30 -11.883 -11.000   2.032
  373    HB   THR  30           HB       THR  30 -13.664  -9.518   3.072
  374    HG1  THR  30           HG1      THR  30 -13.427  -7.841   1.501
  375   HG21  THR  30          1HG2      THR  30 -12.121  -8.525   4.701
  376   HG22  THR  30          2HG2      THR  30 -11.611 -10.170   4.284
  377   HG23  THR  30          3HG2      THR  30 -10.750  -8.773   3.598
  Start of MODEL   24
    1    H1   GLY   1           1H       GLY   1 -11.620   4.933  -1.245
    2    H2   GLY   1           2H       GLY   1 -12.895   4.056  -0.707
    3    H3   GLY   1           3H       GLY   1 -12.133   3.624  -2.089
    4    HA2  GLY   1           HA2      GLY   1 -11.004   3.536   0.642
    5    HA3  GLY   1           HA3      GLY   1 -11.478   2.131  -0.331
    6    H    ILE   2           H        ILE   2  -9.026   1.990   0.584
    7    HA   ILE   2           HA       ILE   2  -6.909   3.406  -0.513
    8    HB   ILE   2           HB       ILE   2  -6.803   1.866   1.403
    9   HG12  ILE   2          2HG1      ILE   2  -4.701   1.358  -0.742
   10   HG13  ILE   2          3HG1      ILE   2  -4.765   2.711   0.396
   11   HG21  ILE   2          1HG2      ILE   2  -6.576  -0.510   1.215
   12   HG22  ILE   2          2HG2      ILE   2  -8.045  -0.083   0.351
   13   HG23  ILE   2          3HG2      ILE   2  -6.558  -0.453  -0.556
   14   HD11  ILE   2          3HD1      ILE   2  -4.624   0.933   2.260
   15   HD12  ILE   2          1HD1      ILE   2  -4.179  -0.205   0.971
   16   HD13  ILE   2          2HD1      ILE   2  -3.171   1.221   1.277
   17    H    VAL   3           H        VAL   3  -8.446   0.623  -2.036
   18    HA   VAL   3           HA       VAL   3  -6.526   0.231  -4.097
   19    HB   VAL   3           HB       VAL   3  -9.471  -0.511  -4.148
   20   HG11  VAL   3          1HG1      VAL   3  -7.096  -1.624  -5.718
   21   HG12  VAL   3          2HG1      VAL   3  -8.694  -2.394  -5.633
   22   HG13  VAL   3          3HG1      VAL   3  -8.534  -0.814  -6.388
   23   HG21  VAL   3          3HG2      VAL   3  -8.402  -1.454  -2.144
   24   HG22  VAL   3          1HG2      VAL   3  -8.669  -2.736  -3.320
   25   HG23  VAL   3          2HG2      VAL   3  -7.042  -2.050  -3.122
   26    H    GLU   4           H        GLU   4  -8.970   2.664  -3.771
   27    HA   GLU   4           HA       GLU   4  -8.953   3.412  -6.655
   28    HB2  GLU   4           2HB      GLU   4 -10.591   4.445  -4.309
   29    HB3  GLU   4           3HB      GLU   4 -10.833   4.865  -6.001
   30    HG2  GLU   4           2HG      GLU   4 -11.547   2.619  -6.554
   31    HG3  GLU   4           3HG      GLU   4 -11.138   2.019  -4.945
   32    H    GLN   5           H        GLN   5  -7.087   4.097  -3.965
   33    HA   GLN   5           HA       GLN   5  -6.809   7.037  -4.543
   34    HB2  GLN   5           2HB      GLN   5  -8.331   6.570  -2.655
   35    HB3  GLN   5           3HB      GLN   5  -7.099   5.577  -1.874
   36    HG2  GLN   5           2HG      GLN   5  -5.644   7.563  -1.598
   37    HG3  GLN   5           3HG      GLN   5  -6.828   8.560  -2.453
   38   HE21  GLN   5          2HE2      GLN   5  -8.692   9.315  -1.273
   39   HE22  GLN   5          1HE2      GLN   5  -8.900   8.953   0.434
   40    H    CYS   6           H        CYS   6  -5.264   4.280  -2.802
   41    HA   CYS   6           HA       CYS   6  -2.578   5.546  -3.162
   42    HB2  CYS   6           2HB      CYS   6  -3.352   4.826  -0.910
   43    HB3  CYS   6           3HB      CYS   6  -3.529   3.186  -1.524
   44    H    CYS   7           H        CYS   7  -4.391   2.486  -3.789
   45    HA   CYS   7           HA       CYS   7  -2.265   1.388  -5.464
   46    HB2  CYS   7           2HB      CYS   7  -4.417   0.321  -4.208
   47    HB3  CYS   7           3HB      CYS   7  -5.035   0.411  -5.858
   48    H    THR   8           H        THR   8  -2.006   1.627  -7.601
   49    HA   THR   8           HA       THR   8  -2.183   2.172  -9.773
   50    HB   THR   8           HB       THR   8  -4.158   2.620 -10.963
   51    HG1  THR   8           HG1      THR   8  -5.267   3.199  -8.442
   52   HG21  THR   8          1HG2      THR   8  -3.890   0.290 -10.129
   53   HG22  THR   8          2HG2      THR   8  -4.964   0.682  -8.762
   54   HG23  THR   8          3HG2      THR   8  -5.573   0.758 -10.424
   55    H    SER   9           H        SER   9  -1.866   4.252  -7.430
   56    HA   SER   9           HA       SER   9  -1.434   6.572  -9.237
   57    HB2  SER   9           2HB      SER   9  -3.662   6.779  -7.993
   58    HB3  SER   9           3HB      SER   9  -2.703   6.891  -6.506
   59    HG   SER   9           HG       SER   9  -3.194   8.965  -7.464
   60    H    ILE  10           H        ILE  10  -0.184   8.318  -7.845
   61    HA   ILE  10           HA       ILE  10   2.264   7.045  -6.835
   62    HB   ILE  10           HB       ILE  10   1.445   9.976  -6.766
   63   HG12  ILE  10          2HG1      ILE  10   1.590   9.271  -9.089
   64   HG13  ILE  10          3HG1      ILE  10   2.921  10.332  -8.670
   65   HG21  ILE  10          1HG2      ILE  10   3.148   9.574  -5.099
   66   HG22  ILE  10          2HG2      ILE  10   4.118   8.608  -6.223
   67   HG23  ILE  10          3HG2      ILE  10   3.921  10.357  -6.476
   68   HD11  ILE  10          3HD1      ILE  10   3.075   7.310  -8.999
   69   HD12  ILE  10          1HD1      ILE  10   3.717   8.537 -10.099
   70   HD13  ILE  10          2HD1      ILE  10   4.441   8.343  -8.495
   71    H    CYS  11           H        CYS  11   2.386   6.159  -4.908
   72    HA   CYS  11           HA       CYS  11   1.147   7.516  -2.558
   73    HB2  CYS  11           2HB      CYS  11  -0.238   5.609  -3.518
   74    HB3  CYS  11           3HB      CYS  11   1.038   4.527  -2.973
   75    H    SER  12           H        SER  12   3.037   8.324  -1.799
   76    HA   SER  12           HA       SER  12   5.449   6.654  -1.484
   77    HB2  SER  12           2HB      SER  12   4.805   9.530  -0.793
   78    HB3  SER  12           3HB      SER  12   6.417   8.800  -0.668
   79    HG   SER  12           HG       SER  12   5.981   9.972  -2.675
   80    H    LEU  13           H        LEU  13   6.688   7.002   0.710
   81    HA   LEU  13           HA       LEU  13   5.535   5.413   2.622
   82    HB2  LEU  13           2HB      LEU  13   7.338   6.075   4.092
   83    HB3  LEU  13           3HB      LEU  13   7.887   5.843   2.441
   84    HG   LEU  13           HG       LEU  13   7.490   8.571   2.440
   85   HD11  LEU  13          1HD1      LEU  13   8.406   9.509   4.506
   86   HD12  LEU  13          2HD1      LEU  13   6.955   8.582   4.910
   87   HD13  LEU  13          3HD1      LEU  13   8.553   7.891   5.223
   88   HD21  LEU  13          3HD2      LEU  13  10.005   7.097   3.325
   89   HD22  LEU  13          1HD2      LEU  13   9.500   7.403   1.648
   90   HD23  LEU  13          2HD2      LEU  13   9.933   8.760   2.699
   91    H    TYR  14           H        TYR  14   5.347   8.966   2.712
   92    HA   TYR  14           HA       TYR  14   4.068   9.032   5.300
   93    HB2  TYR  14           2HB      TYR  14   3.616  11.444   4.568
   94    HB3  TYR  14           3HB      TYR  14   5.301  10.934   4.684
   95    HD1  TYR  14           HD2      TYR  14   2.519  11.646   2.312
   96    HD2  TYR  14           HD1      TYR  14   6.751  10.974   2.765
   97    HE1  TYR  14           HE2      TYR  14   2.851  12.184  -0.087
   98    HE2  TYR  14           HE1      TYR  14   7.114  11.611   0.398
   99    HH   TYR  14           HH       TYR  14   6.137  12.342  -1.564
  100    H    GLN  15           H        GLN  15   2.827   8.516   2.116
  101    HA   GLN  15           HA       GLN  15  -0.026   9.093   2.804
  102    HB2  GLN  15           2HB      GLN  15   1.481   8.056   0.385
  103    HB3  GLN  15           3HB      GLN  15  -0.278   8.028   0.465
  104    HG2  GLN  15           2HG      GLN  15  -0.431  10.405   0.447
  105    HG3  GLN  15           3HG      GLN  15   1.306  10.584   0.694
  106   HE21  GLN  15          2HE2      GLN  15  -1.183   9.836  -1.744
  107   HE22  GLN  15          1HE2      GLN  15  -0.044   9.628  -3.073
  108    H    LEU  16           H        LEU  16   2.143   6.312   2.014
  109    HA   LEU  16           HA       LEU  16   0.363   4.202   2.427
  110    HB2  LEU  16           2HB      LEU  16   3.348   4.589   2.706
  111    HB3  LEU  16           3HB      LEU  16   2.645   3.004   2.940
  112    HG   LEU  16           HG       LEU  16   2.284   4.618   0.377
  113   HD11  LEU  16          1HD1      LEU  16   4.294   2.415   1.030
  114   HD12  LEU  16          2HD1      LEU  16   4.016   3.125  -0.576
  115   HD13  LEU  16          3HD1      LEU  16   4.667   4.129   0.727
  116   HD21  LEU  16          3HD2      LEU  16   0.614   2.770   0.852
  117   HD22  LEU  16          1HD2      LEU  16   1.599   2.502  -0.598
  118   HD23  LEU  16          2HD2      LEU  16   1.979   1.636   0.903
  119    H    GLU  17           H        GLU  17   2.344   5.923   4.849
  120    HA   GLU  17           HA       GLU  17   1.940   4.199   6.995
  121    HB2  GLU  17           2HB      GLU  17   3.449   6.230   6.819
  122    HB3  GLU  17           3HB      GLU  17   2.055   7.231   7.234
  123    HG2  GLU  17           2HG      GLU  17   1.827   6.013   9.382
  124    HG3  GLU  17           3HG      GLU  17   3.137   4.924   8.922
  125    H    ASN  18           H        ASN  18  -0.391   6.458   5.634
  126    HA   ASN  18           HA       ASN  18  -2.221   6.572   7.853
  127    HB2  ASN  18           2HB      ASN  18  -2.721   6.880   4.863
  128    HB3  ASN  18           3HB      ASN  18  -3.881   7.258   6.110
  129   HD21  ASN  18          2HD2      ASN  18  -1.050   8.340   4.480
  130   HD22  ASN  18          1HD2      ASN  18  -0.871   9.881   5.318
  131    H    TYR  19           H        TYR  19  -1.494   3.956   5.705
  132    HA   TYR  19           HA       TYR  19  -3.982   2.523   6.506
  133    HB2  TYR  19           2HB      TYR  19  -2.173   1.615   4.299
  134    HB3  TYR  19           3HB      TYR  19  -3.861   1.235   4.573
  135    HD1  TYR  19           HD1      TYR  19  -5.623   3.107   4.144
  136    HD2  TYR  19           HD2      TYR  19  -1.501   3.437   2.980
  137    HE1  TYR  19           HE1      TYR  19  -6.208   4.969   2.593
  138    HE2  TYR  19           HE2      TYR  19  -2.048   5.307   1.456
  139    HH   TYR  19           HH       TYR  19  -5.419   6.521   1.075
  140    H    CYS  20           H        CYS  20  -1.066   2.947   7.722
  141    HA   CYS  20           HA       CYS  20  -0.303   0.183   8.342
  142    HB2  CYS  20           2HB      CYS  20   1.331   2.031   8.172
  143    HB3  CYS  20           3HB      CYS  20   0.594   2.796   9.575
  144    H    ASN  21           H        ASN  21  -0.216  -0.470  10.729
  145    HA   ASN  21           HA       ASN  21  -2.787  -0.616  11.873
  146    HB2  ASN  21           2HB      ASN  21  -1.555  -1.591  13.873
  147    HB3  ASN  21           3HB      ASN  21  -1.205  -2.328  12.310
  148   HD21  ASN  21          2HD2      ASN  21   0.726  -2.409  11.626
  149   HD22  ASN  21          1HD2      ASN  21   1.947  -1.351  12.281
  150    H1   PHE   1           H        PHE   1  11.562   0.562  -2.244
  151    HA   PHE   1           HA       PHE   1  10.230   0.305  -4.753
  152    HB2  PHE   1           2HB      PHE   1   7.994   0.745  -4.264
  153    HB3  PHE   1           3HB      PHE   1   8.462  -0.570  -3.208
  154    HD1  PHE   1           HD2      PHE   1   9.026  -0.039  -0.771
  155    HD2  PHE   1           HD1      PHE   1   7.154   2.778  -3.410
  156    HE1  PHE   1           HE2      PHE   1   8.221   1.263   1.203
  157    HE2  PHE   1           HE1      PHE   1   6.366   4.106  -1.456
  158    HZ   PHE   1           HZ       PHE   1   6.906   3.349   0.849
  159    H    VAL   2           H        VAL   2   9.205   2.419  -5.453
  160    HA   VAL   2           HA       VAL   2  10.718   4.812  -4.441
  161    HB   VAL   2           HB       VAL   2  10.167   4.029  -7.344
  162   HG11  VAL   2          1HG1      VAL   2  11.716   6.381  -6.175
  163   HG12  VAL   2          2HG1      VAL   2  11.829   5.866  -7.872
  164   HG13  VAL   2          3HG1      VAL   2  10.295   6.440  -7.250
  165   HG21  VAL   2          3HG2      VAL   2  11.919   2.560  -6.435
  166   HG22  VAL   2          1HG2      VAL   2  12.637   3.728  -7.536
  167   HG23  VAL   2          2HG2      VAL   2  12.790   3.967  -5.782
  168    H    ASN   3           H        ASN   3   9.571   6.919  -5.161
  169    HA   ASN   3           HA       ASN   3   6.697   6.855  -4.869
  170    HB2  ASN   3           2HB      ASN   3   6.774   9.198  -5.562
  171    HB3  ASN   3           3HB      ASN   3   7.893   8.836  -4.262
  172   HD21  ASN   3          1HD2      ASN   3   7.614  10.381  -7.292
  173   HD22  ASN   3          2HD2      ASN   3   9.331  10.563  -7.597
  174    H    GLN   4           H        GLN   4   5.503   5.711  -6.259
  175    HA   GLN   4           HA       GLN   4   5.587   6.075  -9.159
  176    HB2  GLN   4           2HB      GLN   4   6.397   3.929  -9.730
  177    HB3  GLN   4           3HB      GLN   4   7.547   4.553  -8.560
  178    HG2  GLN   4           2HG      GLN   4   6.104   3.193  -6.801
  179    HG3  GLN   4           3HG      GLN   4   5.484   2.359  -8.219
  180   HE21  GLN   4          2HE2      GLN   4   7.452   1.655  -9.830
  181   HE22  GLN   4          1HE2      GLN   4   8.799   0.924  -8.976
  182    H    HIS   5           H        HIS   5   4.045   4.447 -10.210
  183    HA   HIS   5           HA       HIS   5   1.510   4.572  -8.809
  184    HB2  HIS   5           2HB      HIS   5   2.299   3.564 -11.558
  185    HB3  HIS   5           3HB      HIS   5   0.641   3.644 -10.953
  186    HD2  HIS   5           HD2      HIS   5   3.206   5.772 -12.661
  187    HE1  HIS   5           HE1      HIS   5   0.203   8.484 -11.329
  188    HE2  HIS   5           HE2      HIS   5   2.269   8.227 -12.812
  189    H    LEU   6           H        LEU   6   2.327   3.192  -7.025
  190    HA   LEU   6           HA       LEU   6   2.797   0.393  -7.206
  191    HB2  LEU   6           2HB      LEU   6   1.459   2.006  -4.987
  192    HB3  LEU   6           3HB      LEU   6   2.074   0.368  -4.807
  193    HG   LEU   6           HG       LEU   6   3.776   2.842  -5.352
  194   HD11  LEU   6          1HD1      LEU   6   4.477   2.468  -2.990
  195   HD12  LEU   6          2HD1      LEU   6   2.738   2.799  -3.119
  196   HD13  LEU   6          3HD1      LEU   6   3.298   1.138  -2.877
  197   HD21  LEU   6          3HD2      LEU   6   4.601  -0.026  -4.706
  198   HD22  LEU   6          1HD2      LEU   6   4.826   0.779  -6.278
  199   HD23  LEU   6          2HD2      LEU   6   5.693   1.364  -4.854
  200    H    CYS   7           H        CYS   7   1.522  -1.344  -7.465
  201    HA   CYS   7           HA       CYS   7  -0.933  -1.781  -6.282
  202    HB2  CYS   7           2HB      CYS   7  -1.638  -0.162  -8.321
  203    HB3  CYS   7           3HB      CYS   7  -1.600  -1.654  -9.200
  204    H    GLY   8           H        GLY   8  -1.847  -3.902  -6.757
  205    HA2  GLY   8           HA2      GLY   8  -1.799  -6.153  -7.299
  206    HA3  GLY   8           HA3      GLY   8  -1.531  -5.470  -8.895
  207    H    SER   9           H        SER   9   1.782  -7.137  -7.121
  208    HA   SER   9           HA       SER   9  -0.434  -6.051  -5.406
  209    HB2  SER   9           2HB      SER   9   1.620  -8.214  -4.825
  210    HB3  SER   9           3HB      SER   9   0.353  -7.647  -3.727
  211    HG   SER   9           HG       SER   9  -0.015  -8.958  -6.244
  212    H    HIS  10           H        HIS  10   2.204  -4.759  -6.559
  213    HA   HIS  10           HA       HIS  10   4.207  -4.356  -4.813
  214    HB2  HIS  10           2HB      HIS  10   3.578  -3.379  -7.210
  215    HB3  HIS  10           3HB      HIS  10   3.103  -1.954  -6.283
  216    HD2  HIS  10           HD2      HIS  10   5.895  -2.716  -4.287
  217    HE1  HIS  10           HE1      HIS  10   7.798  -1.084  -7.718
  218    HE2  HIS  10           HE2      HIS  10   8.117  -1.725  -5.274
  219    H    LEU  11           H        LEU  11   1.110  -2.751  -4.560
  220    HA   LEU  11           HA       LEU  11   1.488  -0.797  -2.572
  221    HB2  LEU  11           2HB      LEU  11  -0.561  -1.656  -4.094
  222    HB3  LEU  11           3HB      LEU  11  -0.958  -2.609  -2.693
  223    HG   LEU  11           HG       LEU  11  -2.261  -0.585  -2.803
  224   HD11  LEU  11          1HD1      LEU  11  -0.266  -0.120  -0.565
  225   HD12  LEU  11          2HD1      LEU  11  -1.954   0.396  -0.643
  226   HD13  LEU  11          3HD1      LEU  11  -1.569  -1.330  -0.509
  227   HD21  LEU  11          3HD2      LEU  11  -1.359   1.605  -2.861
  228   HD22  LEU  11          1HD2      LEU  11   0.300   1.039  -2.599
  229   HD23  LEU  11          2HD2      LEU  11  -0.538   0.693  -4.130
  230    H    VAL  12           H        VAL  12   0.943  -4.299  -2.190
  231    HA   VAL  12           HA       VAL  12   0.634  -4.218   0.690
  232    HB   VAL  12           HB       VAL  12   1.321  -6.516  -1.219
  233   HG11  VAL  12          1HG1      VAL  12   1.953  -7.207   1.054
  234   HG12  VAL  12          2HG1      VAL  12   0.334  -6.782   1.646
  235   HG13  VAL  12          3HG1      VAL  12   0.544  -8.095   0.480
  236   HG21  VAL  12          3HG2      VAL  12  -1.351  -5.694  -0.020
  237   HG22  VAL  12          1HG2      VAL  12  -0.873  -5.519  -1.724
  238   HG23  VAL  12          2HG2      VAL  12  -1.063  -7.128  -1.037
  239    H    GLU  13           H        GLU  13   3.286  -4.884  -1.524
  240    HA   GLU  13           HA       GLU  13   5.282  -5.637   0.399
  241    HB2  GLU  13           3HB      GLU  13   5.791  -4.343  -2.315
  242    HB3  GLU  13           2HB      GLU  13   6.866  -5.381  -1.376
  243    HG2  GLU  13           3HG      GLU  13   5.064  -7.207  -1.637
  244    HG3  GLU  13           2HG      GLU  13   4.316  -6.160  -2.850
  245    H    ALA  14           H        ALA  14   4.507  -2.516  -1.185
  246    HA   ALA  14           HA       ALA  14   6.473  -0.917   0.128
  247    HB1  ALA  14           3HB      ALA  14   5.081   0.932  -0.680
  248    HB2  ALA  14           1HB      ALA  14   5.208  -0.307  -1.939
  249    HB3  ALA  14           2HB      ALA  14   3.722  -0.171  -0.962
  250    H    LEU  15           H        LEU  15   2.995  -1.506   0.963
  251    HA   LEU  15           HA       LEU  15   3.022   0.018   3.354
  252    HB2  LEU  15           2HB      LEU  15   1.375  -2.372   2.445
  253    HB3  LEU  15           3HB      LEU  15   1.179  -1.656   4.055
  254    HG   LEU  15           HG       LEU  15   0.764  -0.138   1.498
  255   HD11  LEU  15          1HD1      LEU  15  -1.261  -1.337   3.434
  256   HD12  LEU  15          2HD1      LEU  15  -1.630  -0.374   1.990
  257   HD13  LEU  15          3HD1      LEU  15  -0.860  -1.961   1.817
  258   HD21  LEU  15          3HD2      LEU  15  -0.307   1.528   2.936
  259   HD22  LEU  15          1HD2      LEU  15   0.035   0.550   4.385
  260   HD23  LEU  15          2HD2      LEU  15   1.353   1.296   3.471
  261    H    TYR  16           H        TYR  16   3.920  -3.442   2.883
  262    HA   TYR  16           HA       TYR  16   4.517  -3.921   5.650
  263    HB2  TYR  16           2HB      TYR  16   4.300  -5.808   4.245
  264    HB3  TYR  16           3HB      TYR  16   5.428  -5.175   3.053
  265    HD1  TYR  16           HD1      TYR  16   5.310  -6.231   6.670
  266    HD2  TYR  16           HD2      TYR  16   7.692  -5.794   3.100
  267    HE1  TYR  16           HE1      TYR  16   7.254  -7.216   7.855
  268    HE2  TYR  16           HE2      TYR  16   9.642  -6.788   4.275
  269    HH   TYR  16           HH       TYR  16   9.460  -7.881   7.698
  270    H    LEU  17           H        LEU  17   6.629  -2.667   3.002
  271    HA   LEU  17           HA       LEU  17   8.974  -2.479   4.657
  272    HB2  LEU  17           2HB      LEU  17   8.142  -1.161   2.055
  273    HB3  LEU  17           3HB      LEU  17   9.719  -0.882   2.789
  274    HG   LEU  17           HG       LEU  17   8.713  -3.675   2.090
  275   HD11  LEU  17          1HD1      LEU  17  10.474  -1.801   0.460
  276   HD12  LEU  17          2HD1      LEU  17  10.130  -3.504   0.076
  277   HD13  LEU  17          3HD1      LEU  17   8.819  -2.314   0.052
  278   HD21  LEU  17          3HD2      LEU  17  11.122  -4.256   2.181
  279   HD22  LEU  17          1HD2      LEU  17  11.501  -2.602   2.708
  280   HD23  LEU  17          2HD2      LEU  17  10.536  -3.680   3.743
  281    H    VAL  18           H        VAL  18   6.399  -0.112   4.031
  282    HA   VAL  18           HA       VAL  18   7.609   2.011   5.609
  283    HB   VAL  18           HB       VAL  18   4.749   1.527   4.689
  284   HG11  VAL  18          1HG1      VAL  18   5.894   4.048   5.979
  285   HG12  VAL  18          2HG1      VAL  18   4.335   3.940   5.136
  286   HG13  VAL  18          3HG1      VAL  18   4.584   3.031   6.629
  287   HG21  VAL  18          3HG2      VAL  18   6.898   3.463   3.722
  288   HG22  VAL  18          1HG2      VAL  18   6.464   1.941   2.928
  289   HG23  VAL  18          2HG2      VAL  18   5.272   3.231   3.037
  290    H    CYS  19           H        CYS  19   4.946  -0.255   6.297
  291    HA   CYS  19           HA       CYS  19   4.536   0.688   9.002
  292    HB2  CYS  19           2HB      CYS  19   2.856  -0.199   7.295
  293    HB3  CYS  19           3HB      CYS  19   3.456  -1.810   7.651
  294    H    GLY  20           H        GLY  20   6.489  -1.900   7.711
  295    HA2  GLY  20           HA2      GLY  20   8.223  -3.033   8.758
  296    HA3  GLY  20           HA3      GLY  20   7.671  -2.450  10.340
  297    H    GLU  21           H        GLU  21   8.293  -4.654  10.886
  298    HA   GLU  21           HA       GLU  21   6.980  -7.043  10.165
  299    HB2  GLU  21           2HB      GLU  21   8.180  -6.116  12.807
  300    HB3  GLU  21           3HB      GLU  21   7.682  -7.775  12.508
  301    HG2  GLU  21           2HG      GLU  21   9.772  -6.346  10.812
  302    HG3  GLU  21           3HG      GLU  21  10.146  -7.294  12.245
  303    H    ARG  22           H        ARG  22   5.677  -4.398  11.917
  304    HA   ARG  22           HA       ARG  22   3.764  -5.595  13.642
  305    HB2  ARG  22           2HB      ARG  22   3.528  -2.988  12.090
  306    HB3  ARG  22           3HB      ARG  22   2.653  -3.438  13.569
  307    HG2  ARG  22           2HG      ARG  22   4.697  -3.347  14.875
  308    HG3  ARG  22           3HG      ARG  22   5.658  -3.014  13.414
  309    HD2  ARG  22           2HD      ARG  22   4.244  -0.936  13.056
  310    HD3  ARG  22           3HD      ARG  22   3.509  -1.239  14.630
  311    HE   ARG  22           HE       ARG  22   5.481  -0.620  15.710
  312   HH11  ARG  22          1HH2      ARG  22   6.109  -0.627  12.200
  313   HH12  ARG  22          2HH2      ARG  22   7.614   0.222  12.405
  314   HH21  ARG  22          1HH1      ARG  22   7.425   0.465  15.860
  315   HH22  ARG  22          2HH1      ARG  22   8.346   0.825  14.432
  316    H    GLY  23           H        GLY  23   3.639  -4.885  10.172
  317    HA2  GLY  23           HA2      GLY  23   2.220  -5.696   8.518
  318    HA3  GLY  23           HA3      GLY  23   1.186  -6.457   9.740
  319    H    HIS  24           H        HIS  24   0.532  -4.884   7.387
  320    HA   HIS  24           HA       HIS  24  -0.989  -2.572   8.498
  321    HB2  HIS  24           2HB      HIS  24  -1.353  -2.029   6.097
  322    HB3  HIS  24           3HB      HIS  24   0.335  -2.029   6.579
  323    HD2  HIS  24           HD2      HIS  24   1.957  -3.782   5.509
  324    HE1  HIS  24           HE1      HIS  24  -0.675  -5.087   2.452
  325    HE2  HIS  24           HE2      HIS  24   1.731  -5.114   3.259
  326    H    PHE  25           H        PHE  25  -3.253  -2.302   7.721
  327    HA   PHE  25           HA       PHE  25  -4.724  -4.803   8.184
  328    HB2  PHE  25           2HB      PHE  25  -6.657  -3.361   8.457
  329    HB3  PHE  25           3HB      PHE  25  -5.317  -2.854   9.456
  330    HD1  PHE  25           HD1      PHE  25  -7.001  -2.075   6.162
  331    HD2  PHE  25           HD2      PHE  25  -4.693  -0.575   9.488
  332    HE1  PHE  25           HE1      PHE  25  -7.252   0.231   5.299
  333    HE2  PHE  25           HE2      PHE  25  -5.008   1.735   8.652
  334    HZ   PHE  25           HZ       PHE  25  -6.306   2.147   6.569
  335    H    TYR  26           H        TYR  26  -3.824  -3.061   5.332
  336    HA   TYR  26           HA       TYR  26  -6.175  -3.455   3.771
  337    HB2  TYR  26           2HB      TYR  26  -4.636  -1.818   3.068
  338    HB3  TYR  26           3HB      TYR  26  -3.277  -2.925   3.138
  339    HD1  TYR  26           HD2      TYR  26  -6.630  -3.078   1.362
  340    HD2  TYR  26           HD1      TYR  26  -2.338  -3.292   1.062
  341    HE1  TYR  26           HE2      TYR  26  -6.817  -3.611  -1.058
  342    HE2  TYR  26           HE1      TYR  26  -2.508  -3.669  -1.365
  343    HH   TYR  26           HH       TYR  26  -3.933  -3.994  -3.164
  344    H    THR  27           H        THR  27  -3.330  -5.507   4.141
  345    HA   THR  27           HA       THR  27  -2.810  -7.293   2.493
  346    HB   THR  27           HB       THR  27  -3.138  -9.246   4.026
  347    HG1  THR  27           HG1      THR  27  -5.023  -8.440   5.047
  348   HG21  THR  27          1HG2      THR  27  -1.932  -6.714   5.231
  349   HG22  THR  27          2HG2      THR  27  -1.573  -8.386   5.702
  350   HG23  THR  27          3HG2      THR  27  -1.123  -7.810   4.088
  351    HA   PRO  28           HA       PRO  28  -6.893  -7.844   0.584
  352    HB2  PRO  28           2HB      PRO  28  -6.158  -8.058  -2.041
  353    HB3  PRO  28           3HB      PRO  28  -6.190  -6.508  -1.144
  354    HG2  PRO  28           2HG      PRO  28  -3.808  -8.324  -1.637
  355    HG3  PRO  28           3HG      PRO  28  -3.918  -6.555  -1.903
  356    HD2  PRO  28           2HD      PRO  28  -2.845  -7.591   0.362
  357    HD3  PRO  28           3HD      PRO  28  -3.857  -6.113   0.426
  358    H    LYS  29           H        LYS  29  -8.048  -9.522  -0.539
  359    HA   LYS  29           HA       LYS  29  -6.756 -12.060  -1.199
  360    HB2  LYS  29           2HB      LYS  29  -7.062 -12.105   1.297
  361    HB3  LYS  29           3HB      LYS  29  -8.804 -11.942   1.059
  362    HG2  LYS  29           2HG      LYS  29  -8.817 -14.082  -0.221
  363    HG3  LYS  29           3HG      LYS  29  -7.075 -14.238   0.012
  364    HD2  LYS  29           2HD      LYS  29  -9.211 -14.203   2.191
  365    HD3  LYS  29           3HD      LYS  29  -8.398 -15.640   1.586
  366    HE2  LYS  29           2HE      LYS  29  -7.041 -13.327   3.054
  367    HE3  LYS  29           3HE      LYS  29  -7.533 -14.853   3.786
  368    HZ1  LYS  29           HZ1      LYS  29  -5.504 -14.585   1.639
  369    HZ2  LYS  29           HZ2      LYS  29  -5.200 -14.909   3.209
  370    HZ3  LYS  29           HZ3      LYS  29  -5.993 -16.004   2.295
  371    H    THR  30           H        THR  30  -7.848 -13.161  -2.717
  372    HA   THR  30           HA       THR  30  -9.924 -11.998  -4.258
  373    HB   THR  30           HB       THR  30  -9.102 -14.925  -4.218
  374    HG1  THR  30           HG1      THR  30  -7.968 -12.715  -5.600
  375   HG21  THR  30          1HG2      THR  30  -9.592 -14.796  -6.654
  376   HG22  THR  30          2HG2      THR  30 -11.034 -14.503  -5.674
  377   HG23  THR  30          3HG2      THR  30 -10.196 -13.136  -6.439
  Start of MODEL   25
    1    H1   GLY   1           1H       GLY   1 -10.812   3.454   0.550
    2    H2   GLY   1           2H       GLY   1 -11.805   2.238   1.022
    3    H3   GLY   1           3H       GLY   1 -11.327   2.341  -0.539
    4    HA2  GLY   1           HA2      GLY   1  -9.592   1.761   1.777
    5    HA3  GLY   1           HA3      GLY   1 -10.110   0.587   0.551
    6    H    ILE   2           H        ILE   2  -7.403   1.313   1.284
    7    HA   ILE   2           HA       ILE   2  -6.078   3.250  -0.136
    8    HB   ILE   2           HB       ILE   2  -5.111   1.868   1.639
    9   HG12  ILE   2          2HG1      ILE   2  -2.823   1.366   0.579
   10   HG13  ILE   2          3HG1      ILE   2  -3.497   1.951  -0.938
   11   HG21  ILE   2          1HG2      ILE   2  -5.947  -0.376   0.933
   12   HG22  ILE   2          2HG2      ILE   2  -4.728  -0.387  -0.368
   13   HG23  ILE   2          3HG2      ILE   2  -4.230  -0.332   1.325
   14   HD11  ILE   2          3HD1      ILE   2  -2.269   3.706   0.267
   15   HD12  ILE   2          1HD1      ILE   2  -3.992   4.139   0.189
   16   HD13  ILE   2          2HD1      ILE   2  -3.301   3.449   1.682
   17    H    VAL   3           H        VAL   3  -6.751   0.035  -1.489
   18    HA   VAL   3           HA       VAL   3  -5.221   0.361  -3.838
   19    HB   VAL   3           HB       VAL   3  -6.114  -1.758  -2.883
   20   HG11  VAL   3          1HG1      VAL   3  -8.679  -1.141  -4.404
   21   HG12  VAL   3          2HG1      VAL   3  -8.279  -2.636  -3.539
   22   HG13  VAL   3          3HG1      VAL   3  -8.504  -1.131  -2.635
   23   HG21  VAL   3          3HG2      VAL   3  -6.589  -1.443  -5.874
   24   HG22  VAL   3          1HG2      VAL   3  -5.007  -1.669  -5.091
   25   HG23  VAL   3          2HG2      VAL   3  -6.232  -2.946  -5.004
   26    H    GLU   4           H        GLU   4  -8.400   1.657  -3.118
   27    HA   GLU   4           HA       GLU   4  -9.189   2.177  -5.874
   28    HB2  GLU   4           2HB      GLU   4 -10.158   3.423  -3.271
   29    HB3  GLU   4           3HB      GLU   4 -10.926   3.589  -4.848
   30    HG2  GLU   4           2HG      GLU   4 -11.366   1.168  -4.943
   31    HG3  GLU   4           3HG      GLU   4 -10.577   0.938  -3.378
   32    H    GLN   5           H        GLN   5  -6.867   3.619  -3.783
   33    HA   GLN   5           HA       GLN   5  -6.805   6.152  -5.385
   34    HB2  GLN   5           2HB      GLN   5  -5.358   5.414  -2.799
   35    HB3  GLN   5           3HB      GLN   5  -5.254   6.953  -3.645
   36    HG2  GLN   5           2HG      GLN   5  -7.742   5.785  -2.321
   37    HG3  GLN   5           3HG      GLN   5  -6.748   7.086  -1.693
   38   HE21  GLN   5          2HE2      GLN   5  -9.650   7.184  -2.300
   39   HE22  GLN   5          1HE2      GLN   5  -9.818   8.454  -3.502
   40    H    CYS   6           H        CYS   6  -4.557   3.623  -4.068
   41    HA   CYS   6           HA       CYS   6  -2.420   4.681  -5.651
   42    HB2  CYS   6           2HB      CYS   6  -2.565   2.053  -4.169
   43    HB3  CYS   6           3HB      CYS   6  -1.107   2.886  -4.704
   44    H    CYS   7           H        CYS   7  -4.639   2.053  -6.406
   45    HA   CYS   7           HA       CYS   7  -3.189   1.476  -8.960
   46    HB2  CYS   7           2HB      CYS   7  -5.577   0.233  -7.600
   47    HB3  CYS   7           3HB      CYS   7  -5.246  -0.013  -9.305
   48    H    THR   8           H        THR   8  -5.249   3.950 -10.627
   49    HA   THR   8           HA       THR   8  -2.466   3.249  -9.773
   50    HB   THR   8           HB       THR   8  -1.884   4.004 -12.133
   51    HG1  THR   8           HG1      THR   8  -3.510   3.605 -13.658
   52   HG21  THR   8          1HG2      THR   8  -1.638   1.684 -11.306
   53   HG22  THR   8          2HG2      THR   8  -3.339   1.350 -11.706
   54   HG23  THR   8          3HG2      THR   8  -2.167   1.709 -12.993
   55    H    SER   9           H        SER   9  -1.850   4.816  -8.489
   56    HA   SER   9           HA       SER   9  -1.426   7.464  -9.562
   57    HB2  SER   9           2HB      SER   9  -3.824   7.586  -8.670
   58    HB3  SER   9           3HB      SER   9  -3.114   7.386  -7.055
   59    HG   SER   9           HG       SER   9  -3.369   9.617  -7.693
   60    H    ILE  10           H        ILE  10  -0.018   8.753  -8.113
   61    HA   ILE  10           HA       ILE  10   2.025   7.048  -7.006
   62    HB   ILE  10           HB       ILE  10   1.770  10.061  -6.727
   63   HG12  ILE  10          2HG1      ILE  10   1.768   9.504  -9.105
   64   HG13  ILE  10          3HG1      ILE  10   3.259  10.293  -8.629
   65   HG21  ILE  10          1HG2      ILE  10   4.279   9.938  -6.457
   66   HG22  ILE  10          2HG2      ILE  10   3.371   9.223  -5.125
   67   HG23  ILE  10          3HG2      ILE  10   4.136   8.172  -6.326
   68   HD11  ILE  10          3HD1      ILE  10   4.443   8.110  -8.641
   69   HD12  ILE  10          1HD1      ILE  10   2.927   7.306  -9.132
   70   HD13  ILE  10          2HD1      ILE  10   3.702   8.481 -10.205
   71    H    CYS  11           H        CYS  11   2.212   6.178  -5.096
   72    HA   CYS  11           HA       CYS  11   1.036   7.507  -2.683
   73    HB2  CYS  11           2HB      CYS  11   0.938   4.590  -3.495
   74    HB3  CYS  11           3HB      CYS  11   0.706   5.129  -1.828
   75    H    SER  12           H        SER  12   2.384   7.764  -1.027
   76    HA   SER  12           HA       SER  12   5.153   6.597  -1.186
   77    HB2  SER  12           2HB      SER  12   4.239   9.396  -0.471
   78    HB3  SER  12           3HB      SER  12   5.918   8.840  -0.498
   79    HG   SER  12           HG       SER  12   5.008   9.997  -2.442
   80    H    LEU  13           H        LEU  13   6.435   6.728   0.792
   81    HA   LEU  13           HA       LEU  13   5.391   5.275   2.840
   82    HB2  LEU  13           2HB      LEU  13   7.417   5.782   4.063
   83    HB3  LEU  13           3HB      LEU  13   7.716   5.512   2.353
   84    HG   LEU  13           HG       LEU  13   7.557   8.261   2.379
   85   HD11  LEU  13          1HD1      LEU  13   8.928   7.504   5.001
   86   HD12  LEU  13          2HD1      LEU  13   8.807   9.126   4.287
   87   HD13  LEU  13          3HD1      LEU  13   7.360   8.316   4.900
   88   HD21  LEU  13          3HD2      LEU  13   9.336   6.928   1.340
   89   HD22  LEU  13          1HD2      LEU  13  10.019   8.243   2.308
   90   HD23  LEU  13          2HD2      LEU  13  10.033   6.580   2.939
   91    H    TYR  14           H        TYR  14   5.516   8.840   2.976
   92    HA   TYR  14           HA       TYR  14   4.611   8.963   5.713
   93    HB2  TYR  14           2HB      TYR  14   4.233  11.413   5.056
   94    HB3  TYR  14           3HB      TYR  14   5.877  10.787   4.915
   95    HD1  TYR  14           HD2      TYR  14   2.840  11.766   3.003
   96    HD2  TYR  14           HD1      TYR  14   7.009  10.699   2.785
   97    HE1  TYR  14           HE2      TYR  14   2.833  12.289   0.580
   98    HE2  TYR  14           HE1      TYR  14   7.038  11.290   0.374
   99    HH   TYR  14           HH       TYR  14   4.109  12.483  -1.341
  100    H    GLN  15           H        GLN  15   2.897   8.638   2.723
  101    HA   GLN  15           HA       GLN  15   0.207   9.345   3.838
  102    HB2  GLN  15           2HB      GLN  15   1.282   8.215   1.234
  103    HB3  GLN  15           3HB      GLN  15  -0.444   8.341   1.546
  104    HG2  GLN  15           2HG      GLN  15  -0.419  10.699   1.510
  105    HG3  GLN  15           3HG      GLN  15   1.333  10.777   1.605
  106   HE21  GLN  15          2HE2      GLN  15  -0.536  11.886  -0.526
  107   HE22  GLN  15          1HE2      GLN  15   0.075  11.168  -2.011
  108    H    LEU  16           H        LEU  16   2.066   6.486   2.674
  109    HA   LEU  16           HA       LEU  16   0.184   4.483   3.279
  110    HB2  LEU  16           2HB      LEU  16   3.182   4.558   3.126
  111    HB3  LEU  16           3HB      LEU  16   2.307   3.044   3.287
  112    HG   LEU  16           HG       LEU  16   2.067   4.981   0.937
  113   HD11  LEU  16          1HD1      LEU  16   4.233   3.872   1.058
  114   HD12  LEU  16          2HD1      LEU  16   3.462   2.277   1.249
  115   HD13  LEU  16          3HD1      LEU  16   3.294   3.186  -0.270
  116   HD21  LEU  16          3HD2      LEU  16  -0.034   3.720   1.258
  117   HD22  LEU  16          1HD2      LEU  16   0.842   3.186  -0.190
  118   HD23  LEU  16          2HD2      LEU  16   0.898   2.210   1.285
  119    H    GLU  17           H        GLU  17   2.567   6.019   5.439
  120    HA   GLU  17           HA       GLU  17   2.399   4.218   7.568
  121    HB2  GLU  17           2HB      GLU  17   3.935   6.250   7.234
  122    HB3  GLU  17           3HB      GLU  17   2.646   7.206   7.980
  123    HG2  GLU  17           2HG      GLU  17   2.749   5.696   9.979
  124    HG3  GLU  17           3HG      GLU  17   3.998   4.743   9.185
  125    H    ASN  18           H        ASN  18   0.001   6.572   6.562
  126    HA   ASN  18           HA       ASN  18  -1.509   6.666   9.023
  127    HB2  ASN  18           2HB      ASN  18  -2.329   7.195   6.133
  128    HB3  ASN  18           3HB      ASN  18  -3.329   7.521   7.521
  129   HD21  ASN  18          2HD2      ASN  18  -0.540   8.575   5.732
  130   HD22  ASN  18          1HD2      ASN  18  -0.265  10.072   6.623
  131    H    TYR  19           H        TYR  19  -1.172   4.140   6.689
  132    HA   TYR  19           HA       TYR  19  -3.685   2.826   7.591
  133    HB2  TYR  19           2HB      TYR  19  -1.930   2.018   5.280
  134    HB3  TYR  19           3HB      TYR  19  -3.563   1.475   5.626
  135    HD1  TYR  19           HD1      TYR  19  -1.488   4.269   4.453
  136    HD2  TYR  19           HD2      TYR  19  -5.504   2.849   4.909
  137    HE1  TYR  19           HE1      TYR  19  -2.245   6.108   3.000
  138    HE2  TYR  19           HE2      TYR  19  -6.321   4.697   3.456
  139    HH   TYR  19           HH       TYR  19  -5.751   6.564   2.225
  140    H    CYS  20           H        CYS  20  -0.573   2.978   8.643
  141    HA   CYS  20           HA       CYS  20   0.060   0.182   8.996
  142    HB2  CYS  20           2HB      CYS  20   1.074   2.699  10.332
  143    HB3  CYS  20           3HB      CYS  20   1.689   1.098  10.629
  144    H    ASN  21           H        ASN  21  -0.117  -1.079  10.872
  145    HA   ASN  21           HA       ASN  21  -2.517  -0.733  12.430
  146    HB2  ASN  21           2HB      ASN  21  -0.128  -2.607  12.703
  147    HB3  ASN  21           3HB      ASN  21  -1.550  -2.702  13.735
  148   HD21  ASN  21          1HD2      ASN  21  -0.551  -4.776  11.956
  149   HD22  ASN  21          2HD2      ASN  21  -1.880  -5.110  10.849
  150    H1   PHE   1           H        PHE   1  11.453   1.389  -1.311
  151    HA   PHE   1           HA       PHE   1  10.923   0.468  -3.997
  152    HB2  PHE   1           2HB      PHE   1   8.529   0.697  -4.024
  153    HB3  PHE   1           3HB      PHE   1   9.019  -0.519  -2.862
  154    HD1  PHE   1           HD1      PHE   1   8.918  -0.051  -0.430
  155    HD2  PHE   1           HD2      PHE   1   7.411   2.734  -3.326
  156    HE1  PHE   1           HE1      PHE   1   7.634   1.106   1.369
  157    HE2  PHE   1           HE2      PHE   1   6.111   3.900  -1.543
  158    HZ   PHE   1           HZ       PHE   1   6.226   3.078   0.806
  159    H    VAL   2           H        VAL   2   9.991   2.152  -5.382
  160    HA   VAL   2           HA       VAL   2  10.895   4.902  -4.614
  161    HB   VAL   2           HB       VAL   2  10.482   3.676  -7.370
  162   HG11  VAL   2          1HG1      VAL   2  11.758   5.689  -8.184
  163   HG12  VAL   2          2HG1      VAL   2  10.169   6.084  -7.546
  164   HG13  VAL   2          3HG1      VAL   2  11.619   6.391  -6.558
  165   HG21  VAL   2          3HG2      VAL   2  12.969   3.773  -7.548
  166   HG22  VAL   2          1HG2      VAL   2  13.061   4.297  -5.853
  167   HG23  VAL   2          2HG2      VAL   2  12.452   2.679  -6.267
  168    H    ASN   3           H        ASN   3   9.553   6.689  -5.143
  169    HA   ASN   3           HA       ASN   3   6.750   6.494  -4.751
  170    HB2  ASN   3           2HB      ASN   3   8.211   8.734  -6.198
  171    HB3  ASN   3           3HB      ASN   3   6.709   8.838  -5.279
  172   HD21  ASN   3          2HD2      ASN   3   6.874   8.568  -2.865
  173   HD22  ASN   3          1HD2      ASN   3   8.412   8.932  -2.094
  174    H    GLN   4           H        GLN   4   5.296   5.523  -6.059
  175    HA   GLN   4           HA       GLN   4   5.199   5.938  -8.947
  176    HB2  GLN   4           2HB      GLN   4   5.757   3.744  -9.648
  177    HB3  GLN   4           3HB      GLN   4   7.077   4.289  -8.624
  178    HG2  GLN   4           2HG      GLN   4   5.912   3.007  -6.704
  179    HG3  GLN   4           3HG      GLN   4   4.881   2.293  -7.937
  180   HE21  GLN   4          2HE2      GLN   4   6.540   0.677  -6.287
  181   HE22  GLN   4          1HE2      GLN   4   7.768  -0.023  -7.328
  182    H    HIS   5           H        HIS   5   3.549   4.284  -9.899
  183    HA   HIS   5           HA       HIS   5   1.063   4.646  -8.467
  184    HB2  HIS   5           2HB      HIS   5   1.638   3.244 -11.097
  185    HB3  HIS   5           3HB      HIS   5   0.061   3.760 -10.502
  186    HD2  HIS   5           HD2      HIS   5   3.136   5.016 -12.319
  187    HE1  HIS   5           HE1      HIS   5   0.625   8.420 -11.848
  188    HE2  HIS   5           HE2      HIS   5   2.720   7.525 -12.992
  189    H    LEU   6           H        LEU   6   1.799   3.328  -6.590
  190    HA   LEU   6           HA       LEU   6   2.482   0.625  -6.641
  191    HB2  LEU   6           2HB      LEU   6   0.981   2.145  -4.477
  192    HB3  LEU   6           3HB      LEU   6   1.748   0.574  -4.256
  193    HG   LEU   6           HG       LEU   6   3.183   3.196  -4.880
  194   HD11  LEU   6          1HD1      LEU   6   2.936   1.448  -2.409
  195   HD12  LEU   6          2HD1      LEU   6   4.024   2.853  -2.548
  196   HD13  LEU   6          3HD1      LEU   6   2.263   3.066  -2.611
  197   HD21  LEU   6          3HD2      LEU   6   4.325   0.444  -4.254
  198   HD22  LEU   6          1HD2      LEU   6   4.410   1.231  -5.836
  199   HD23  LEU   6          2HD2      LEU   6   5.262   1.935  -4.453
  200    H    CYS   7           H        CYS   7   1.506  -1.097  -7.350
  201    HA   CYS   7           HA       CYS   7  -1.367  -1.665  -7.039
  202    HB2  CYS   7           2HB      CYS   7  -1.208   0.225  -8.702
  203    HB3  CYS   7           3HB      CYS   7  -0.299  -0.853  -9.764
  204    H    GLY   8           H        GLY   8  -1.854  -3.807  -7.666
  205    HA2  GLY   8           HA2      GLY   8  -1.652  -5.928  -8.568
  206    HA3  GLY   8           HA3      GLY   8  -0.419  -5.270  -9.656
  207    H    SER   9           H        SER   9   1.712  -5.620  -9.248
  208    HA   SER   9           HA       SER   9   2.548  -7.633  -7.276
  209    HB2  SER   9           2HB      SER   9   4.741  -7.361  -8.466
  210    HB3  SER   9           3HB      SER   9   3.395  -7.855  -9.497
  211    HG   SER   9           HG       SER   9   4.670  -6.177 -10.454
  212    H    HIS  10           H        HIS  10   1.652  -4.860  -6.474
  213    HA   HIS  10           HA       HIS  10   3.590  -4.318  -4.453
  214    HB2  HIS  10           2HB      HIS  10   3.956  -2.834  -6.825
  215    HB3  HIS  10           3HB      HIS  10   3.165  -1.726  -5.698
  216    HD2  HIS  10           HD2      HIS  10   6.348  -3.629  -6.293
  217    HE1  HIS  10           HE1      HIS  10   6.885  -1.828  -2.473
  218    HE2  HIS  10           HE2      HIS  10   8.067  -3.093  -4.350
  219    H    LEU  11           H        LEU  11   2.878  -2.446  -3.147
  220    HA   LEU  11           HA       LEU  11   1.469  -0.908  -2.250
  221    HB2  LEU  11           2HB      LEU  11  -0.308  -1.260  -3.953
  222    HB3  LEU  11           3HB      LEU  11  -0.904  -2.637  -3.019
  223    HG   LEU  11           HG       LEU  11  -1.483  -1.181  -1.139
  224   HD11  LEU  11          1HD1      LEU  11  -1.341   1.312  -1.393
  225   HD12  LEU  11          2HD1      LEU  11   0.241   0.571  -1.243
  226   HD13  LEU  11          3HD1      LEU  11  -0.347   1.090  -2.840
  227   HD21  LEU  11          3HD2      LEU  11  -3.036  -1.578  -2.988
  228   HD22  LEU  11          1HD2      LEU  11  -3.258   0.074  -2.367
  229   HD23  LEU  11          2HD2      LEU  11  -2.359  -0.208  -3.883
  230    H    VAL  12           H        VAL  12   0.567  -4.336  -1.807
  231    HA   VAL  12           HA       VAL  12   0.225  -4.124   1.102
  232    HB   VAL  12           HB       VAL  12   0.746  -6.488  -0.768
  233   HG11  VAL  12          1HG1      VAL  12  -0.081  -6.656   2.158
  234   HG12  VAL  12          2HG1      VAL  12  -0.018  -8.004   1.016
  235   HG13  VAL  12          3HG1      VAL  12   1.471  -7.182   1.475
  236   HG21  VAL  12          3HG2      VAL  12  -1.835  -5.580   0.548
  237   HG22  VAL  12          1HG2      VAL  12  -1.421  -5.415  -1.177
  238   HG23  VAL  12          2HG2      VAL  12  -1.627  -7.020  -0.484
  239    H    GLU  13           H        GLU  13   2.680  -4.975  -1.150
  240    HA   GLU  13           HA       GLU  13   4.920  -5.724   0.387
  241    HB2  GLU  13           2HB      GLU  13   4.713  -4.178  -2.251
  242    HB3  GLU  13           3HB      GLU  13   6.136  -5.026  -1.663
  243    HG2  GLU  13           3HG      GLU  13   4.992  -6.145  -3.528
  244    HG3  GLU  13           2HG      GLU  13   5.136  -7.138  -2.064
  245    H    ALA  14           H        ALA  14   4.048  -2.567  -1.022
  246    HA   ALA  14           HA       ALA  14   6.129  -0.998   0.144
  247    HB1  ALA  14           3HB      ALA  14   4.631   0.910  -0.469
  248    HB2  ALA  14           1HB      ALA  14   4.839  -0.229  -1.797
  249    HB3  ALA  14           2HB      ALA  14   3.336  -0.239  -0.835
  250    H    LEU  15           H        LEU  15   2.689  -1.391   1.167
  251    HA   LEU  15           HA       LEU  15   2.855   0.105   3.563
  252    HB2  LEU  15           2HB      LEU  15   1.145  -2.261   2.717
  253    HB3  LEU  15           3HB      LEU  15   1.001  -1.509   4.315
  254    HG   LEU  15           HG       LEU  15   0.749   0.130   1.827
  255   HD11  LEU  15          1HD1      LEU  15  -0.902  -1.632   1.642
  256   HD12  LEU  15          2HD1      LEU  15  -1.481  -1.321   3.298
  257   HD13  LEU  15          3HD1      LEU  15  -1.707  -0.103   2.026
  258   HD21  LEU  15          3HD2      LEU  15   1.093   1.311   4.022
  259   HD22  LEU  15          1HD2      LEU  15  -0.506   1.645   3.339
  260   HD23  LEU  15          2HD2      LEU  15  -0.322   0.477   4.670
  261    H    TYR  16           H        TYR  16   3.550  -3.422   3.070
  262    HA   TYR  16           HA       TYR  16   4.332  -3.887   5.772
  263    HB2  TYR  16           2HB      TYR  16   3.871  -5.754   4.400
  264    HB3  TYR  16           3HB      TYR  16   4.973  -5.217   3.133
  265    HD1  TYR  16           HD2      TYR  16   5.043  -6.085   6.791
  266    HD2  TYR  16           HD1      TYR  16   7.098  -6.134   2.998
  267    HE1  TYR  16           HE2      TYR  16   7.011  -7.139   7.888
  268    HE2  TYR  16           HE1      TYR  16   9.080  -7.175   4.083
  269    HH   TYR  16           HH       TYR  16   9.152  -7.968   7.594
  270    H    LEU  17           H        LEU  17   6.334  -2.697   3.006
  271    HA   LEU  17           HA       LEU  17   8.791  -2.659   4.532
  272    HB2  LEU  17           2HB      LEU  17   7.856  -1.811   1.849
  273    HB3  LEU  17           3HB      LEU  17   9.070  -0.739   2.534
  274    HG   LEU  17           HG       LEU  17  10.605  -2.626   2.885
  275   HD11  LEU  17          1HD1      LEU  17   8.497  -4.320   1.465
  276   HD12  LEU  17          2HD1      LEU  17  10.156  -4.829   1.841
  277   HD13  LEU  17          3HD1      LEU  17   9.024  -4.496   3.154
  278   HD21  LEU  17          3HD2      LEU  17  10.687  -1.319   0.794
  279   HD22  LEU  17          1HD2      LEU  17  11.140  -3.006   0.507
  280   HD23  LEU  17          2HD2      LEU  17   9.524  -2.433   0.038
  281    H    VAL  18           H        VAL  18   6.272  -0.201   4.093
  282    HA   VAL  18           HA       VAL  18   7.632   1.899   5.572
  283    HB   VAL  18           HB       VAL  18   4.676   1.398   5.031
  284   HG11  VAL  18          1HG1      VAL  18   4.810   2.945   6.946
  285   HG12  VAL  18          2HG1      VAL  18   6.011   3.940   6.091
  286   HG13  VAL  18          3HG1      VAL  18   4.345   3.831   5.492
  287   HG21  VAL  18          3HG2      VAL  18   6.176   1.846   3.020
  288   HG22  VAL  18          1HG2      VAL  18   4.958   3.086   3.272
  289   HG23  VAL  18          2HG2      VAL  18   6.645   3.375   3.754
  290    H    CYS  19           H        CYS  19   4.991  -0.315   6.465
  291    HA   CYS  19           HA       CYS  19   4.785   0.527   9.196
  292    HB2  CYS  19           2HB      CYS  19   3.717  -1.805   7.580
  293    HB3  CYS  19           3HB      CYS  19   3.144  -1.403   9.185
  294    H    GLY  20           H        GLY  20   6.687  -2.022   7.728
  295    HA2  GLY  20           HA2      GLY  20   8.257  -3.452   8.675
  296    HA3  GLY  20           HA3      GLY  20   7.859  -2.804  10.285
  297    H    GLU  21           H        GLU  21   8.119  -5.073  10.866
  298    HA   GLU  21           HA       GLU  21   6.348  -7.162  10.139
  299    HB2  GLU  21           2HB      GLU  21   8.536  -7.323  11.349
  300    HB3  GLU  21           3HB      GLU  21   7.749  -6.707  12.806
  301    HG2  GLU  21           2HG      GLU  21   6.295  -8.695  12.882
  302    HG3  GLU  21           3HG      GLU  21   6.935  -9.252  11.331
  303    H    ARG  22           H        ARG  22   5.724  -4.376  12.103
  304    HA   ARG  22           HA       ARG  22   3.475  -5.346  13.647
  305    HB2  ARG  22           2HB      ARG  22   4.103  -2.519  12.687
  306    HB3  ARG  22           3HB      ARG  22   2.942  -2.950  13.937
  307    HG2  ARG  22           2HG      ARG  22   5.966  -3.330  14.099
  308    HG3  ARG  22           3HG      ARG  22   5.010  -2.087  14.904
  309    HD2  ARG  22           2HD      ARG  22   3.790  -3.886  16.172
  310    HD3  ARG  22           3HD      ARG  22   4.828  -5.088  15.405
  311    HE   ARG  22           HE       ARG  22   6.609  -4.482  16.738
  312   HH11  ARG  22          1HH2      ARG  22   4.063  -2.075  17.265
  313   HH12  ARG  22          2HH2      ARG  22   4.867  -1.403  18.651
  314   HH21  ARG  22          1HH1      ARG  22   7.586  -3.562  18.523
  315   HH22  ARG  22          2HH1      ARG  22   6.834  -2.231  19.348
  316    H    GLY  23           H        GLY  23   3.816  -4.283  10.323
  317    HA2  GLY  23           HA2      GLY  23   2.445  -4.625   8.518
  318    HA3  GLY  23           HA3      GLY  23   1.367  -5.537   9.584
  319    H    HIS  24           H        HIS  24  -0.205  -4.726   8.169
  320    HA   HIS  24           HA       HIS  24  -1.399  -2.106   8.884
  321    HB2  HIS  24           2HB      HIS  24  -1.680  -1.638   6.440
  322    HB3  HIS  24           3HB      HIS  24  -0.009  -1.610   6.977
  323    HD2  HIS  24           HD2      HIS  24   1.659  -3.446   6.024
  324    HE1  HIS  24           HE1      HIS  24  -0.973  -4.956   3.042
  325    HE2  HIS  24           HE2      HIS  24   1.437  -4.938   3.864
  326    H    PHE  25           H        PHE  25  -3.632  -1.897   8.036
  327    HA   PHE  25           HA       PHE  25  -5.068  -4.418   8.507
  328    HB2  PHE  25           2HB      PHE  25  -7.042  -2.893   8.687
  329    HB3  PHE  25           3HB      PHE  25  -5.746  -2.618   9.826
  330    HD1  PHE  25           HD2      PHE  25  -6.894  -1.351   6.437
  331    HD2  PHE  25           HD1      PHE  25  -5.075  -0.432  10.243
  332    HE1  PHE  25           HE2      PHE  25  -6.836   1.051   5.832
  333    HE2  PHE  25           HE1      PHE  25  -5.076   1.970   9.662
  334    HZ   PHE  25           HZ       PHE  25  -5.997   2.727   7.469
  335    H    TYR  26           H        TYR  26  -4.115  -2.837   5.627
  336    HA   TYR  26           HA       TYR  26  -6.466  -3.261   4.037
  337    HB2  TYR  26           2HB      TYR  26  -4.853  -1.712   3.274
  338    HB3  TYR  26           3HB      TYR  26  -3.540  -2.866   3.422
  339    HD1  TYR  26           HD2      TYR  26  -6.864  -3.339   1.663
  340    HD2  TYR  26           HD1      TYR  26  -2.592  -2.923   1.301
  341    HE1  TYR  26           HE2      TYR  26  -6.995  -4.031  -0.715
  342    HE2  TYR  26           HE1      TYR  26  -2.728  -3.473  -1.106
  343    HH   TYR  26           HH       TYR  26  -4.095  -4.176  -2.832
  344    H    THR  27           H        THR  27  -3.617  -5.289   4.563
  345    HA   THR  27           HA       THR  27  -3.139  -7.240   3.108
  346    HB   THR  27           HB       THR  27  -3.466  -9.023   4.840
  347    HG1  THR  27           HG1      THR  27  -5.323  -8.113   5.803
  348   HG21  THR  27          1HG2      THR  27  -1.438  -7.611   4.723
  349   HG22  THR  27          2HG2      THR  27  -2.217  -6.395   5.758
  350   HG23  THR  27          3HG2      THR  27  -1.868  -8.012   6.394
  351    HA   PRO  28           HA       PRO  28  -7.275  -8.016   1.342
  352    HB2  PRO  28           2HB      PRO  28  -6.580  -8.386  -1.277
  353    HB3  PRO  28           3HB      PRO  28  -6.679  -6.775  -0.498
  354    HG2  PRO  28           2HG      PRO  28  -4.214  -8.498  -0.915
  355    HG3  PRO  28           3HG      PRO  28  -4.423  -6.761  -1.306
  356    HD2  PRO  28           2HD      PRO  28  -3.250  -7.575   1.001
  357    HD3  PRO  28           3HD      PRO  28  -4.332  -6.145   0.981
  358    H    LYS  29           H        LYS  29  -8.380  -9.854   0.454
  359    HA   LYS  29           HA       LYS  29  -7.242 -12.446   1.091
  360    HB2  LYS  29           2HB      LYS  29  -9.627 -11.846   1.410
  361    HB3  LYS  29           3HB      LYS  29  -9.826 -11.703  -0.344
  362    HG2  LYS  29           2HG      LYS  29  -9.251 -14.103  -0.609
  363    HG3  LYS  29           3HG      LYS  29  -8.986 -14.239   1.141
  364    HD2  LYS  29           2HD      LYS  29 -11.363 -13.646   1.544
  365    HD3  LYS  29           3HD      LYS  29 -11.623 -13.499  -0.209
  366    HE2  LYS  29           2HE      LYS  29 -10.970 -15.884  -0.500
  367    HE3  LYS  29           3HE      LYS  29 -10.714 -16.030   1.243
  368    HZ1  LYS  29           HZ1      LYS  29 -13.078 -15.541   1.563
  369    HZ2  LYS  29           HZ2      LYS  29 -13.314 -15.406  -0.050
  370    HZ3  LYS  29           HZ3      LYS  29 -12.901 -16.847   0.598
  371    H    THR  30           H        THR  30  -6.007 -13.671  -0.140
  372    HA   THR  30           HA       THR  30  -5.321 -13.082  -2.896
  373    HB   THR  30           HB       THR  30  -3.999 -15.236  -2.686
  374    HG1  THR  30           HG1      THR  30  -5.334 -16.091  -0.997
  375   HG21  THR  30          1HG2      THR  30  -3.524 -13.096  -0.560
  376   HG22  THR  30          2HG2      THR  30  -2.327 -14.257  -1.178
  377   HG23  THR  30          3HG2      THR  30  -2.995 -13.020  -2.256
  Start of MODEL   26
    1    H1   GLY   1           1H       GLY   1 -10.246   4.277   2.620
    2    H2   GLY   1           2H       GLY   1 -10.922   3.099   1.706
    3    H3   GLY   1           3H       GLY   1 -11.362   4.662   1.482
    4    HA2  GLY   1           HA2      GLY   1  -9.890   3.955  -0.292
    5    HA3  GLY   1           HA3      GLY   1  -9.178   5.250   0.685
    6    H    ILE   2           H        ILE   2  -7.781   3.419  -0.916
    7    HA   ILE   2           HA       ILE   2  -5.520   2.751   0.496
    8    HB   ILE   2           HB       ILE   2  -6.442   1.076   1.801
    9   HG12  ILE   2          2HG1      ILE   2  -5.348  -0.949   1.253
   10   HG13  ILE   2          3HG1      ILE   2  -5.228  -0.550  -0.452
   11   HG21  ILE   2          1HG2      ILE   2  -8.593   0.621   0.645
   12   HG22  ILE   2          2HG2      ILE   2  -7.735  -0.316  -0.589
   13   HG23  ILE   2          3HG2      ILE   2  -7.742  -0.849   1.094
   14   HD11  ILE   2          3HD1      ILE   2  -3.650   1.323   0.142
   15   HD12  ILE   2          1HD1      ILE   2  -3.762   0.796   1.840
   16   HD13  ILE   2          2HD1      ILE   2  -3.091  -0.287   0.607
   17    H    VAL   3           H        VAL   3  -6.800   0.433  -1.827
   18    HA   VAL   3           HA       VAL   3  -5.169   1.584  -4.019
   19    HB   VAL   3           HB       VAL   3  -5.274  -0.822  -3.822
   20   HG11  VAL   3          1HG1      VAL   3  -8.227  -0.746  -4.550
   21   HG12  VAL   3          2HG1      VAL   3  -7.210  -2.177  -4.326
   22   HG13  VAL   3          3HG1      VAL   3  -7.584  -1.149  -2.939
   23   HG21  VAL   3          3HG2      VAL   3  -5.775  -1.359  -6.160
   24   HG22  VAL   3          1HG2      VAL   3  -6.583   0.217  -6.351
   25   HG23  VAL   3          2HG2      VAL   3  -4.840   0.129  -5.982
   26    H    GLU   4           H        GLU   4  -5.942   3.072  -5.198
   27    HA   GLU   4           HA       GLU   4  -6.955   5.095  -5.399
   28    HB2  GLU   4           2HB      GLU   4  -9.051   3.980  -6.178
   29    HB3  GLU   4           3HB      GLU   4  -9.614   3.941  -4.500
   30    HG2  GLU   4           2HG      GLU   4  -9.367   6.431  -4.391
   31    HG3  GLU   4           3HG      GLU   4  -8.861   6.435  -6.083
   32    H    GLN   5           H        GLN   5  -6.231   5.872  -1.937
   33    HA   GLN   5           HA       GLN   5  -5.978   7.130  -4.461
   34    HB2  GLN   5           2HB      GLN   5  -3.963   6.749  -2.202
   35    HB3  GLN   5           3HB      GLN   5  -3.803   7.902  -3.527
   36    HG2  GLN   5           2HG      GLN   5  -5.865   9.068  -2.784
   37    HG3  GLN   5           3HG      GLN   5  -6.014   7.946  -1.426
   38   HE21  GLN   5          2HE2      GLN   5  -3.988   7.841   0.093
   39   HE22  GLN   5          1HE2      GLN   5  -3.215   9.395   0.390
   40    H    CYS   6           H        CYS   6  -4.212   4.211  -3.215
   41    HA   CYS   6           HA       CYS   6  -2.102   4.512  -5.118
   42    HB2  CYS   6           2HB      CYS   6  -2.904   1.962  -3.715
   43    HB3  CYS   6           3HB      CYS   6  -1.318   2.385  -4.349
   44    H    CYS   7           H        CYS   7  -1.524   3.232  -6.882
   45    HA   CYS   7           HA       CYS   7  -1.739   2.245  -8.927
   46    HB2  CYS   7           2HB      CYS   7  -2.870   0.458  -7.482
   47    HB3  CYS   7           3HB      CYS   7  -4.395   1.052  -8.121
   48    H    THR   8           H        THR   8  -4.682   3.847  -7.828
   49    HA   THR   8           HA       THR   8  -5.492   4.899 -10.450
   50    HB   THR   8           HB       THR   8  -6.197   5.739  -7.601
   51    HG1  THR   8           HG1      THR   8  -6.878   3.629  -8.261
   52   HG21  THR   8          1HG2      THR   8  -8.179   6.811  -8.677
   53   HG22  THR   8          2HG2      THR   8  -6.663   7.604  -9.121
   54   HG23  THR   8          3HG2      THR   8  -7.458   6.505 -10.274
   55    H    SER   9           H        SER   9  -3.591   6.058  -7.645
   56    HA   SER   9           HA       SER   9  -2.089   7.871  -9.458
   57    HB2  SER   9           2HB      SER   9  -3.936   9.098  -8.179
   58    HB3  SER   9           3HB      SER   9  -3.025   8.731  -6.704
   59    HG   SER   9           HG       SER   9  -2.515  10.812  -7.683
   60    H    ILE  10           H        ILE  10  -0.286   8.897  -7.870
   61    HA   ILE  10           HA       ILE  10   1.565   6.749  -7.256
   62    HB   ILE  10           HB       ILE  10   1.663   9.719  -6.593
   63   HG12  ILE  10          2HG1      ILE  10   1.661   9.290  -9.034
   64   HG13  ILE  10          3HG1      ILE  10   3.133  10.040  -8.445
   65   HG21  ILE  10          1HG2      ILE  10   3.161   8.678  -5.048
   66   HG22  ILE  10          2HG2      ILE  10   3.831   7.596  -6.278
   67   HG23  ILE  10          3HG2      ILE  10   4.161   9.342  -6.335
   68   HD11  ILE  10          3HD1      ILE  10   2.822   7.101  -9.161
   69   HD12  ILE  10          1HD1      ILE  10   3.645   8.340 -10.119
   70   HD13  ILE  10          2HD1      ILE  10   4.319   7.863  -8.552
   71    H    CYS  11           H        CYS  11   2.060   5.772  -5.391
   72    HA   CYS  11           HA       CYS  11   1.155   7.025  -2.836
   73    HB2  CYS  11           2HB      CYS  11   0.975   4.145  -3.657
   74    HB3  CYS  11           3HB      CYS  11   1.297   4.554  -1.967
   75    H    SER  12           H        SER  12   2.512   7.051  -1.173
   76    HA   SER  12           HA       SER  12   5.383   6.358  -1.449
   77    HB2  SER  12           2HB      SER  12   4.292   9.161  -0.951
   78    HB3  SER  12           3HB      SER  12   5.997   8.695  -0.926
   79    HG   SER  12           HG       SER  12   5.313   9.701  -2.911
   80    H    LEU  13           H        LEU  13   6.489   6.762   0.693
   81    HA   LEU  13           HA       LEU  13   5.278   5.386   2.692
   82    HB2  LEU  13           2HB      LEU  13   7.073   6.104   4.151
   83    HB3  LEU  13           3HB      LEU  13   7.631   5.735   2.529
   84    HG   LEU  13           HG       LEU  13   7.311   8.467   2.323
   85   HD11  LEU  13          1HD1      LEU  13   8.339   7.969   5.156
   86   HD12  LEU  13          2HD1      LEU  13   8.235   9.532   4.318
   87   HD13  LEU  13          3HD1      LEU  13   6.761   8.674   4.780
   88   HD21  LEU  13          3HD2      LEU  13   9.291   7.189   1.635
   89   HD22  LEU  13          1HD2      LEU  13   9.757   8.606   2.588
   90   HD23  LEU  13          2HD2      LEU  13   9.777   6.992   3.335
   91    H    TYR  14           H        TYR  14   5.177   8.942   2.600
   92    HA   TYR  14           HA       TYR  14   3.876   9.187   5.159
   93    HB2  TYR  14           2HB      TYR  14   3.488  11.562   4.295
   94    HB3  TYR  14           3HB      TYR  14   5.161  11.014   4.412
   95    HD1  TYR  14           HD2      TYR  14   2.381  11.740   2.057
   96    HD2  TYR  14           HD1      TYR  14   6.575  10.850   2.466
   97    HE1  TYR  14           HE2      TYR  14   2.690  12.128  -0.378
   98    HE2  TYR  14           HE1      TYR  14   6.913  11.297   0.046
   99    HH   TYR  14           HH       TYR  14   4.204  12.249  -2.120
  100    H    GLN  15           H        GLN  15   2.621   8.519   2.003
  101    HA   GLN  15           HA       GLN  15  -0.215   9.095   2.797
  102    HB2  GLN  15           2HB      GLN  15   1.174   8.299   0.214
  103    HB3  GLN  15           3HB      GLN  15  -0.573   8.154   0.393
  104    HG2  GLN  15           2HG      GLN  15   1.077  10.674   0.528
  105    HG3  GLN  15           3HG      GLN  15   0.012  10.193  -0.777
  106   HE21  GLN  15          2HE2      GLN  15  -0.108  12.685   0.702
  107   HE22  GLN  15          1HE2      GLN  15  -1.675  12.708   1.503
  108    H    LEU  16           H        LEU  16   1.972   6.361   1.987
  109    HA   LEU  16           HA       LEU  16   0.126   4.255   2.304
  110    HB2  LEU  16           2HB      LEU  16   3.112   4.557   2.681
  111    HB3  LEU  16           3HB      LEU  16   2.340   2.996   2.849
  112    HG   LEU  16           HG       LEU  16   2.208   4.674   0.306
  113   HD11  LEU  16          1HD1      LEU  16   3.984   2.306   1.059
  114   HD12  LEU  16          2HD1      LEU  16   3.888   3.068  -0.552
  115   HD13  LEU  16          3HD1      LEU  16   4.504   3.989   0.825
  116   HD21  LEU  16          3HD2      LEU  16   0.345   3.060   0.485
  117   HD22  LEU  16          1HD2      LEU  16   1.516   2.532  -0.737
  118   HD23  LEU  16          2HD2      LEU  16   1.509   1.764   0.859
  119    H    GLU  17           H        GLU  17   1.993   6.000   4.729
  120    HA   GLU  17           HA       GLU  17   1.633   4.336   6.951
  121    HB2  GLU  17           2HB      GLU  17   3.071   6.408   6.706
  122    HB3  GLU  17           3HB      GLU  17   1.633   7.380   7.023
  123    HG2  GLU  17           2HG      GLU  17   1.396   6.286   9.236
  124    HG3  GLU  17           3HG      GLU  17   2.763   5.229   8.872
  125    H    ASN  18           H        ASN  18  -0.745   6.451   5.436
  126    HA   ASN  18           HA       ASN  18  -2.644   6.550   7.601
  127    HB2  ASN  18           2HB      ASN  18  -3.034   6.747   4.585
  128    HB3  ASN  18           3HB      ASN  18  -4.269   7.092   5.770
  129   HD21  ASN  18          2HD2      ASN  18  -1.500   8.330   4.174
  130   HD22  ASN  18          1HD2      ASN  18  -1.437   9.894   4.997
  131    H    TYR  19           H        TYR  19  -1.726   3.931   5.536
  132    HA   TYR  19           HA       TYR  19  -4.129   2.344   6.309
  133    HB2  TYR  19           2HB      TYR  19  -2.148   1.546   4.199
  134    HB3  TYR  19           3HB      TYR  19  -3.821   1.052   4.384
  135    HD1  TYR  19           HD2      TYR  19  -5.615   3.050   4.140
  136    HD2  TYR  19           HD1      TYR  19  -1.587   3.174   2.641
  137    HE1  TYR  19           HE2      TYR  19  -6.245   4.896   2.603
  138    HE2  TYR  19           HE1      TYR  19  -2.207   4.996   1.068
  139    HH   TYR  19           HH       TYR  19  -5.570   6.308   0.961
  140    H    CYS  20           H        CYS  20  -1.303   2.978   7.642
  141    HA   CYS  20           HA       CYS  20  -0.256   0.280   8.159
  142    HB2  CYS  20           2HB      CYS  20   1.239   2.187   7.949
  143    HB3  CYS  20           3HB      CYS  20   0.437   3.003   9.290
  144    H    ASN  21           H        ASN  21  -0.496  -0.906  10.080
  145    HA   ASN  21           HA       ASN  21  -2.949  -0.629  11.520
  146    HB2  ASN  21           2HB      ASN  21  -0.476  -2.356  11.951
  147    HB3  ASN  21           3HB      ASN  21  -1.881  -2.445  13.004
  148   HD21  ASN  21          2HD2      ASN  21  -1.082  -4.639  11.948
  149   HD22  ASN  21          1HD2      ASN  21  -2.256  -5.119  10.752
  150    H1   PHE   1           H        PHE   1  11.687  -0.074  -1.805
  151    HA   PHE   1           HA       PHE   1  10.522  -0.749  -3.761
  152    HB2  PHE   1           2HB      PHE   1   8.134  -0.661  -3.207
  153    HB3  PHE   1           3HB      PHE   1   9.137  -1.138  -1.850
  154    HD1  PHE   1           HD2      PHE   1   7.179   1.669  -3.307
  155    HD2  PHE   1           HD1      PHE   1   9.265   0.183   0.138
  156    HE1  PHE   1           HE2      PHE   1   6.160   3.475  -1.920
  157    HE2  PHE   1           HE1      PHE   1   8.215   1.951   1.549
  158    HZ   PHE   1           HZ       PHE   1   6.658   3.595   0.516
  159    H    VAL   2           H        VAL   2  10.540   2.596  -3.222
  160    HA   VAL   2           HA       VAL   2  10.613   4.397  -4.566
  161    HB   VAL   2           HB       VAL   2  10.141   2.615  -6.996
  162   HG11  VAL   2          1HG1      VAL   2  11.345   4.431  -8.198
  163   HG12  VAL   2          2HG1      VAL   2   9.815   4.978  -7.522
  164   HG13  VAL   2          3HG1      VAL   2  11.339   5.404  -6.711
  165   HG21  VAL   2          3HG2      VAL   2  12.621   2.667  -7.248
  166   HG22  VAL   2          1HG2      VAL   2  12.760   3.485  -5.676
  167   HG23  VAL   2          2HG2      VAL   2  12.148   1.820  -5.778
  168    H    ASN   3           H        ASN   3   9.198   6.000  -4.914
  169    HA   ASN   3           HA       ASN   3   6.360   5.667  -4.762
  170    HB2  ASN   3           2HB      ASN   3   6.201   8.017  -5.236
  171    HB3  ASN   3           3HB      ASN   3   7.428   7.700  -4.028
  172   HD21  ASN   3          2HD2      ASN   3   9.684   8.155  -4.555
  173   HD22  ASN   3          1HD2      ASN   3  10.086   9.060  -6.001
  174    H    GLN   4           H        GLN   4   4.858   5.215  -6.150
  175    HA   GLN   4           HA       GLN   4   4.877   5.675  -8.981
  176    HB2  GLN   4           2HB      GLN   4   5.179   3.444  -9.809
  177    HB3  GLN   4           3HB      GLN   4   6.607   3.882  -8.901
  178    HG2  GLN   4           2HG      GLN   4   5.576   2.610  -6.910
  179    HG3  GLN   4           3HG      GLN   4   4.374   2.000  -8.051
  180   HE21  GLN   4          2HE2      GLN   4   7.736   1.773  -6.985
  181   HE22  GLN   4          1HE2      GLN   4   8.179   0.499  -8.104
  182    H    HIS   5           H        HIS   5   3.071   4.178  -9.975
  183    HA   HIS   5           HA       HIS   5   0.652   4.474  -8.392
  184    HB2  HIS   5           2HB      HIS   5   1.135   3.279 -11.148
  185    HB3  HIS   5           3HB      HIS   5  -0.436   3.668 -10.449
  186    HD2  HIS   5           HD2      HIS   5   2.485   5.243 -12.279
  187    HE1  HIS   5           HE1      HIS   5  -0.167   8.448 -11.381
  188    HE2  HIS   5           HE2      HIS   5   1.913   7.777 -12.690
  189    H    LEU   6           H        LEU   6   1.738   3.042  -6.708
  190    HA   LEU   6           HA       LEU   6   2.227   0.307  -6.926
  191    HB2  LEU   6           2HB      LEU   6   1.133   1.911  -4.575
  192    HB3  LEU   6           3HB      LEU   6   1.702   0.253  -4.442
  193    HG   LEU   6           HG       LEU   6   3.465   2.596  -5.291
  194   HD11  LEU   6          1HD1      LEU   6   2.742   2.787  -2.953
  195   HD12  LEU   6          2HD1      LEU   6   3.157   1.085  -2.670
  196   HD13  LEU   6          3HD1      LEU   6   4.434   2.273  -3.016
  197   HD21  LEU   6          3HD2      LEU   6   4.124  -0.282  -4.528
  198   HD22  LEU   6          1HD2      LEU   6   4.268   0.391  -6.166
  199   HD23  LEU   6          2HD2      LEU   6   5.314   0.991  -4.875
  200    H    CYS   7           H        CYS   7   1.119  -1.416  -7.297
  201    HA   CYS   7           HA       CYS   7  -1.787  -1.627  -6.605
  202    HB2  CYS   7           2HB      CYS   7  -0.697  -1.520  -9.228
  203    HB3  CYS   7           3HB      CYS   7  -0.982  -3.220  -8.930
  204    H    GLY   8           H        GLY   8  -2.272  -4.262  -6.937
  205    HA2  GLY   8           HA2      GLY   8  -0.615  -5.592  -4.962
  206    HA3  GLY   8           HA3      GLY   8  -1.882  -6.354  -5.939
  207    H    SER   9           H        SER   9   1.763  -7.385  -7.018
  208    HA   SER   9           HA       SER   9   0.663  -7.172  -4.300
  209    HB2  SER   9           2HB      SER   9   2.720  -8.469  -3.772
  210    HB3  SER   9           3HB      SER   9   1.657  -9.236  -4.962
  211    HG   SER   9           HG       SER   9   3.879  -9.321  -5.597
  212    H    HIS  10           H        HIS  10   2.772  -5.184  -6.235
  213    HA   HIS  10           HA       HIS  10   4.821  -4.394  -4.632
  214    HB2  HIS  10           2HB      HIS  10   3.725  -3.572  -7.040
  215    HB3  HIS  10           3HB      HIS  10   3.444  -2.154  -6.041
  216    HD2  HIS  10           HD2      HIS  10   5.920  -1.647  -4.465
  217    HE1  HIS  10           HE1      HIS  10   8.230  -2.199  -7.995
  218    HE2  HIS  10           HE2      HIS  10   8.223  -1.159  -5.667
  219    H    LEU  11           H        LEU  11   1.510  -3.144  -4.347
  220    HA   LEU  11           HA       LEU  11   1.980  -1.119  -2.381
  221    HB2  LEU  11           2HB      LEU  11  -0.052  -1.740  -3.990
  222    HB3  LEU  11           3HB      LEU  11  -0.600  -2.671  -2.622
  223    HG   LEU  11           HG       LEU  11  -0.268   0.330  -2.921
  224   HD11  LEU  11          1HD1      LEU  11  -2.691   0.297  -2.321
  225   HD12  LEU  11          2HD1      LEU  11  -2.346  -0.671  -3.770
  226   HD13  LEU  11          3HD1      LEU  11  -2.633  -1.460  -2.203
  227   HD21  LEU  11          3HD2      LEU  11   0.549  -0.046  -0.688
  228   HD22  LEU  11          1HD2      LEU  11  -1.081   0.606  -0.585
  229   HD23  LEU  11          2HD2      LEU  11  -0.821  -1.134  -0.322
  230    H    VAL  12           H        VAL  12   1.543  -4.636  -2.031
  231    HA   VAL  12           HA       VAL  12   1.161  -4.610   0.873
  232    HB   VAL  12           HB       VAL  12   2.189  -6.872  -0.927
  233   HG11  VAL  12          1HG1      VAL  12   0.956  -7.117   1.840
  234   HG12  VAL  12          2HG1      VAL  12   1.495  -8.434   0.796
  235   HG13  VAL  12          3HG1      VAL  12   2.680  -7.313   1.460
  236   HG21  VAL  12          3HG2      VAL  12  -0.037  -6.230  -1.695
  237   HG22  VAL  12          1HG2      VAL  12  -0.110  -7.781  -0.865
  238   HG23  VAL  12          2HG2      VAL  12  -0.655  -6.311  -0.023
  239    H    GLU  13           H        GLU  13   3.878  -5.160  -1.347
  240    HA   GLU  13           HA       GLU  13   5.932  -5.578   0.586
  241    HB2  GLU  13           2HB      GLU  13   6.192  -4.291  -2.168
  242    HB3  GLU  13           3HB      GLU  13   7.490  -5.008  -1.227
  243    HG2  GLU  13           2HG      GLU  13   5.097  -6.520  -2.375
  244    HG3  GLU  13           3HG      GLU  13   6.698  -6.435  -3.082
  245    H    ALA  14           H        ALA  14   4.853  -2.571  -1.053
  246    HA   ALA  14           HA       ALA  14   6.584  -0.749   0.246
  247    HB1  ALA  14           3HB      ALA  14   5.246  -0.310  -1.814
  248    HB2  ALA  14           1HB      ALA  14   3.755  -0.353  -0.839
  249    HB3  ALA  14           2HB      ALA  14   4.965   0.909  -0.564
  250    H    LEU  15           H        LEU  15   3.177  -1.652   1.129
  251    HA   LEU  15           HA       LEU  15   3.137  -0.083   3.495
  252    HB2  LEU  15           2HB      LEU  15   1.596  -2.546   2.645
  253    HB3  LEU  15           3HB      LEU  15   1.355  -1.778   4.223
  254    HG   LEU  15           HG       LEU  15   0.953  -0.346   1.612
  255   HD11  LEU  15          1HD1      LEU  15  -1.068  -1.598   3.527
  256   HD12  LEU  15          2HD1      LEU  15  -1.464  -0.605   2.115
  257   HD13  LEU  15          3HD1      LEU  15  -0.671  -2.176   1.894
  258   HD21  LEU  15          3HD2      LEU  15   1.445   1.136   3.597
  259   HD22  LEU  15          1HD2      LEU  15  -0.186   1.336   2.967
  260   HD23  LEU  15          2HD2      LEU  15   0.089   0.391   4.449
  261    H    TYR  16           H        TYR  16   4.323  -3.433   3.032
  262    HA   TYR  16           HA       TYR  16   4.895  -3.826   5.836
  263    HB2  TYR  16           2HB      TYR  16   4.793  -5.761   4.468
  264    HB3  TYR  16           3HB      TYR  16   5.897  -5.089   3.271
  265    HD1  TYR  16           HD2      TYR  16   5.794  -6.041   6.913
  266    HD2  TYR  16           HD1      TYR  16   8.183  -5.575   3.355
  267    HE1  TYR  16           HE2      TYR  16   7.796  -6.840   8.156
  268    HE2  TYR  16           HE1      TYR  16  10.190  -6.356   4.587
  269    HH   TYR  16           HH       TYR  16  10.054  -7.317   8.051
  270    H    LEU  17           H        LEU  17   6.912  -2.459   3.162
  271    HA   LEU  17           HA       LEU  17   9.232  -2.056   4.814
  272    HB2  LEU  17           2HB      LEU  17   8.310  -1.327   2.094
  273    HB3  LEU  17           3HB      LEU  17   9.295  -0.077   2.817
  274    HG   LEU  17           HG       LEU  17  10.581  -1.613   1.422
  275   HD11  LEU  17          1HD1      LEU  17  11.397  -1.815   4.354
  276   HD12  LEU  17          2HD1      LEU  17  12.452  -1.976   2.939
  277   HD13  LEU  17          3HD1      LEU  17  11.682  -0.420   3.290
  278   HD21  LEU  17          3HD2      LEU  17   9.322  -3.705   1.836
  279   HD22  LEU  17          1HD2      LEU  17  11.064  -3.908   2.079
  280   HD23  LEU  17          2HD2      LEU  17   9.990  -3.778   3.483
  281    H    VAL  18           H        VAL  18   6.475   0.074   4.136
  282    HA   VAL  18           HA       VAL  18   7.438   2.303   5.715
  283    HB   VAL  18           HB       VAL  18   4.646   1.528   4.786
  284   HG11  VAL  18          1HG1      VAL  18   4.324   3.049   6.691
  285   HG12  VAL  18          2HG1      VAL  18   5.536   4.172   6.029
  286   HG13  VAL  18          3HG1      VAL  18   4.000   3.902   5.179
  287   HG21  VAL  18          3HG2      VAL  18   5.018   3.233   3.095
  288   HG22  VAL  18          1HG2      VAL  18   6.610   3.633   3.789
  289   HG23  VAL  18          2HG2      VAL  18   6.331   2.067   3.022
  290    H    CYS  19           H        CYS  19   4.996  -0.197   6.417
  291    HA   CYS  19           HA       CYS  19   4.552   0.786   9.123
  292    HB2  CYS  19           2HB      CYS  19   2.892  -0.148   7.341
  293    HB3  CYS  19           3HB      CYS  19   3.418  -1.729   7.877
  294    H    GLY  20           H        GLY  20   6.547  -1.791   7.865
  295    HA2  GLY  20           HA2      GLY  20   8.168  -3.015   8.994
  296    HA3  GLY  20           HA3      GLY  20   7.564  -2.401  10.545
  297    H    GLU  21           H        GLU  21   8.108  -4.635  11.108
  298    HA   GLU  21           HA       GLU  21   6.826  -6.936  10.072
  299    HB2  GLU  21           2HB      GLU  21   8.099  -6.436  12.790
  300    HB3  GLU  21           3HB      GLU  21   7.640  -8.027  12.172
  301    HG2  GLU  21           2HG      GLU  21   9.170  -7.735  10.242
  302    HG3  GLU  21           3HG      GLU  21   9.683  -6.171  10.881
  303    H    ARG  22           H        ARG  22   5.467  -4.605  12.228
  304    HA   ARG  22           HA       ARG  22   3.493  -6.411  13.388
  305    HB2  ARG  22           2HB      ARG  22   2.489  -4.443  14.397
  306    HB3  ARG  22           3HB      ARG  22   4.199  -4.611  14.714
  307    HG2  ARG  22           2HG      ARG  22   3.759  -2.328  14.451
  308    HG3  ARG  22           3HG      ARG  22   4.692  -2.814  13.043
  309    HD2  ARG  22           2HD      ARG  22   3.019  -2.252  11.593
  310    HD3  ARG  22           3HD      ARG  22   1.769  -2.963  12.606
  311    HE   ARG  22           HE       ARG  22   1.214  -0.912  13.354
  312   HH11  ARG  22          1HH1      ARG  22   4.555  -0.497  12.249
  313   HH12  ARG  22          2HH1      ARG  22   4.638   1.114  12.904
  314   HH21  ARG  22          1HH2      ARG  22   1.326   1.147  13.966
  315   HH22  ARG  22          2HH2      ARG  22   2.802   2.066  13.816
  316    H    GLY  23           H        GLY  23   3.730  -5.199  10.289
  317    HA2  GLY  23           HA2      GLY  23   2.403  -5.745   8.493
  318    HA3  GLY  23           HA3      GLY  23   1.260  -6.508   9.610
  319    H    HIS  24           H        HIS  24   0.009  -5.602   7.699
  320    HA   HIS  24           HA       HIS  24  -1.286  -3.038   8.435
  321    HB2  HIS  24           2HB      HIS  24  -1.169  -2.300   6.075
  322    HB3  HIS  24           3HB      HIS  24   0.406  -2.395   6.851
  323    HD2  HIS  24           HD2      HIS  24   2.222  -3.868   5.728
  324    HE1  HIS  24           HE1      HIS  24  -0.119  -5.432   2.547
  325    HE2  HIS  24           HE2      HIS  24   2.239  -5.236   3.485
  326    H    PHE  25           H        PHE  25  -3.394  -2.731   7.405
  327    HA   PHE  25           HA       PHE  25  -4.850  -5.257   7.438
  328    HB2  PHE  25           2HB      PHE  25  -6.824  -3.863   7.623
  329    HB3  PHE  25           3HB      PHE  25  -5.597  -3.409   8.780
  330    HD1  PHE  25           HD2      PHE  25  -7.070  -2.414   5.458
  331    HD2  PHE  25           HD1      PHE  25  -4.923  -1.144   8.980
  332    HE1  PHE  25           HE2      PHE  25  -7.331  -0.049   4.767
  333    HE2  PHE  25           HE1      PHE  25  -5.228   1.221   8.306
  334    HZ   PHE  25           HZ       PHE  25  -6.442   1.776   6.203
  335    H    TYR  26           H        TYR  26  -3.572  -3.484   4.818
  336    HA   TYR  26           HA       TYR  26  -5.693  -3.657   2.927
  337    HB2  TYR  26           2HB      TYR  26  -3.863  -2.196   2.503
  338    HB3  TYR  26           3HB      TYR  26  -2.690  -3.478   2.723
  339    HD1  TYR  26           HD2      TYR  26  -5.752  -3.182   0.493
  340    HD2  TYR  26           HD1      TYR  26  -1.518  -3.948   0.798
  341    HE1  TYR  26           HE2      TYR  26  -5.676  -3.721  -1.930
  342    HE2  TYR  26           HE1      TYR  26  -1.438  -4.442  -1.619
  343    HH   TYR  26           HH       TYR  26  -4.343  -4.317  -3.719
  344    H    THR  27           H        THR  27  -3.205  -6.007   3.755
  345    HA   THR  27           HA       THR  27  -2.528  -7.647   1.966
  346    HB   THR  27           HB       THR  27  -3.013  -9.693   3.341
  347    HG1  THR  27           HG1      THR  27  -4.953  -8.870   4.270
  348   HG21  THR  27          1HG2      THR  27  -1.554  -8.968   5.176
  349   HG22  THR  27          2HG2      THR  27  -0.975  -8.319   3.634
  350   HG23  THR  27          3HG2      THR  27  -1.838  -7.264   4.775
  351    HA   PRO  28           HA       PRO  28  -6.342  -7.964  -0.374
  352    HB2  PRO  28           2HB      PRO  28  -5.349  -8.350  -2.890
  353    HB3  PRO  28           3HB      PRO  28  -5.283  -6.782  -2.026
  354    HG2  PRO  28           2HG      PRO  28  -3.111  -8.895  -2.214
  355    HG3  PRO  28           3HG      PRO  28  -2.965  -7.133  -2.516
  356    HD2  PRO  28           2HD      PRO  28  -2.296  -8.231  -0.127
  357    HD3  PRO  28           3HD      PRO  28  -3.112  -6.636  -0.205
  358    H    LYS  29           H        LYS  29  -7.562  -9.518  -1.606
  359    HA   LYS  29           HA       LYS  29  -6.535 -12.223  -2.055
  360    HB2  LYS  29           2HB      LYS  29  -7.157 -12.149   0.378
  361    HB3  LYS  29           3HB      LYS  29  -8.819 -11.764  -0.084
  362    HG2  LYS  29           2HG      LYS  29  -8.959 -13.923  -1.324
  363    HG3  LYS  29           3HG      LYS  29  -7.298 -14.301  -0.865
  364    HD2  LYS  29           2HD      LYS  29  -9.667 -13.913   1.019
  365    HD3  LYS  29           3HD      LYS  29  -8.988 -15.464   0.545
  366    HE2  LYS  29           2HE      LYS  29  -7.523 -13.308   2.141
  367    HE3  LYS  29           3HE      LYS  29  -8.308 -14.728   2.826
  368    HZ1  LYS  29           HZ1      LYS  29  -6.008 -14.807   0.955
  369    HZ2  LYS  29           HZ2      LYS  29  -5.952 -15.116   2.556
  370    HZ3  LYS  29           HZ3      LYS  29  -6.765 -16.124   1.565
  371    H    THR  30           H        THR  30  -7.565 -13.226  -3.691
  372    HA   THR  30           HA       THR  30  -9.413 -11.793  -5.394
  373    HB   THR  30           HB       THR  30  -9.390 -13.971  -6.702
  374    HG1  THR  30           HG1      THR  30  -8.809 -15.263  -4.872
  375   HG21  THR  30          1HG2      THR  30  -7.090 -13.657  -7.496
  376   HG22  THR  30          2HG2      THR  30  -7.876 -12.092  -7.230
  377   HG23  THR  30          3HG2      THR  30  -6.692 -12.699  -6.052
  Start of MODEL   27
    1    H1   GLY   1           1H       GLY   1 -11.435   3.678   1.328
    2    H2   GLY   1           2H       GLY   1 -11.153   4.959   0.348
    3    H3   GLY   1           3H       GLY   1 -11.382   5.191   1.955
    4    HA2  GLY   1           HA2      GLY   1  -9.049   5.412   1.440
    5    HA3  GLY   1           HA3      GLY   1  -9.351   4.006   2.479
    6    H    ILE   2           H        ILE   2  -7.623   2.743   1.802
    7    HA   ILE   2           HA       ILE   2  -6.964   2.271  -0.974
    8    HB   ILE   2           HB       ILE   2  -5.804   1.768   1.560
    9   HG12  ILE   2          2HG1      ILE   2  -4.833   1.313  -1.273
   10   HG13  ILE   2          3HG1      ILE   2  -4.680   2.759  -0.283
   11   HG21  ILE   2          1HG2      ILE   2  -5.842  -0.876   0.103
   12   HG22  ILE   2          2HG2      ILE   2  -5.037  -0.457   1.624
   13   HG23  ILE   2          3HG2      ILE   2  -6.791  -0.506   1.567
   14   HD11  ILE   2          3HD1      ILE   2  -2.575   1.742  -0.172
   15   HD12  ILE   2          1HD1      ILE   2  -3.332   1.265   1.358
   16   HD13  ILE   2          2HD1      ILE   2  -3.265   0.105   0.029
   17    H    VAL   3           H        VAL   3  -8.658  -0.926  -1.524
   18    HA   VAL   3           HA       VAL   3  -6.027  -0.313  -2.081
   19    HB   VAL   3           HB       VAL   3  -7.382  -2.248  -2.772
   20   HG11  VAL   3          1HG1      VAL   3  -9.385  -1.106  -3.669
   21   HG12  VAL   3          2HG1      VAL   3  -8.432  -0.537  -5.056
   22   HG13  VAL   3          3HG1      VAL   3  -8.702  -2.271  -4.811
   23   HG21  VAL   3          3HG2      VAL   3  -6.030  -1.098  -5.209
   24   HG22  VAL   3          1HG2      VAL   3  -5.135  -1.756  -3.810
   25   HG23  VAL   3          2HG2      VAL   3  -6.211  -2.799  -4.758
   26    H    GLU   4           H        GLU   4  -8.757   1.656  -2.940
   27    HA   GLU   4           HA       GLU   4  -7.714   2.950  -5.280
   28    HB2  GLU   4           2HB      GLU   4  -9.751   3.928  -3.247
   29    HB3  GLU   4           3HB      GLU   4  -9.447   4.675  -4.806
   30    HG2  GLU   4           2HG      GLU   4 -10.446   1.814  -4.453
   31    HG3  GLU   4           3HG      GLU   4 -11.471   3.212  -4.723
   32    H    GLN   5           H        GLN   5  -7.215   5.239  -5.436
   33    HA   GLN   5           HA       GLN   5  -6.067   7.161  -5.051
   34    HB2  GLN   5           2HB      GLN   5  -5.516   6.370  -2.165
   35    HB3  GLN   5           3HB      GLN   5  -5.310   7.936  -2.928
   36    HG2  GLN   5           2HG      GLN   5  -7.798   8.040  -3.313
   37    HG3  GLN   5           3HG      GLN   5  -7.965   6.540  -2.387
   38   HE21  GLN   5          2HE2      GLN   5  -6.275   6.900  -0.171
   39   HE22  GLN   5          1HE2      GLN   5  -6.836   8.310   0.711
   40    H    CYS   6           H        CYS   6  -4.534   4.502  -3.195
   41    HA   CYS   6           HA       CYS   6  -1.866   5.271  -3.986
   42    HB2  CYS   6           2HB      CYS   6  -2.612   4.056  -1.882
   43    HB3  CYS   6           3HB      CYS   6  -2.795   2.609  -2.883
   44    H    CYS   7           H        CYS   7  -4.068   2.684  -5.175
   45    HA   CYS   7           HA       CYS   7  -2.231   1.944  -7.333
   46    HB2  CYS   7           2HB      CYS   7  -5.160   1.321  -6.878
   47    HB3  CYS   7           3HB      CYS   7  -4.200   0.729  -8.235
   48    H    THR   8           H        THR   8  -4.572   4.452  -6.862
   49    HA   THR   8           HA       THR   8  -5.333   4.831  -9.645
   50    HB   THR   8           HB       THR   8  -5.808   6.710  -7.308
   51    HG1  THR   8           HG1      THR   8  -7.376   4.474  -8.099
   52   HG21  THR   8          1HG2      THR   8  -7.950   7.152  -8.493
   53   HG22  THR   8          2HG2      THR   8  -6.543   7.613  -9.460
   54   HG23  THR   8          3HG2      THR   8  -7.415   6.109  -9.830
   55    H    SER   9           H        SER   9  -3.120   6.478  -7.393
   56    HA   SER   9           HA       SER   9  -1.935   8.002  -9.667
   57    HB2  SER   9           2HB      SER   9  -3.711   9.344  -8.440
   58    HB3  SER   9           3HB      SER   9  -2.658   9.284  -7.016
   59    HG   SER   9           HG       SER   9  -2.389  11.191  -8.379
   60    H    ILE  10           H        ILE  10  -0.109   9.484  -8.233
   61    HA   ILE  10           HA       ILE  10   1.988   7.556  -7.668
   62    HB   ILE  10           HB       ILE  10   1.820  10.560  -7.233
   63   HG12  ILE  10          2HG1      ILE  10   1.846   9.876  -9.609
   64   HG13  ILE  10          3HG1      ILE  10   3.277  10.776  -9.141
   65   HG21  ILE  10          1HG2      ILE  10   4.167   8.689  -6.742
   66   HG22  ILE  10          2HG2      ILE  10   4.339  10.444  -6.973
   67   HG23  ILE  10          3HG2      ILE  10   3.415   9.822  -5.608
   68   HD11  ILE  10          3HD1      ILE  10   4.583   8.641  -9.015
   69   HD12  ILE  10          1HD1      ILE  10   3.130   7.763  -9.558
   70   HD13  ILE  10          2HD1      ILE  10   3.898   8.950 -10.620
   71    H    CYS  11           H        CYS  11   2.360   6.444  -5.948
   72    HA   CYS  11           HA       CYS  11   1.359   7.348  -3.282
   73    HB2  CYS  11           2HB      CYS  11   0.298   5.347  -4.507
   74    HB3  CYS  11           3HB      CYS  11   1.788   4.486  -4.138
   75    H    SER  12           H        SER  12   2.646   6.863  -1.458
   76    HA   SER  12           HA       SER  12   5.544   6.364  -1.775
   77    HB2  SER  12           2HB      SER  12   4.422   9.062  -0.929
   78    HB3  SER  12           3HB      SER  12   6.133   8.619  -1.004
   79    HG   SER  12           HG       SER  12   5.404   9.879  -2.806
   80    H    LEU  13           H        LEU  13   6.645   6.493   0.348
   81    HA   LEU  13           HA       LEU  13   5.587   5.091   2.406
   82    HB2  LEU  13           2HB      LEU  13   7.343   6.111   3.832
   83    HB3  LEU  13           3HB      LEU  13   7.913   5.459   2.314
   84    HG   LEU  13           HG       LEU  13   7.304   8.402   2.321
   85   HD11  LEU  13          1HD1      LEU  13   8.387   8.144   4.507
   86   HD12  LEU  13          2HD1      LEU  13   9.739   7.270   3.746
   87   HD13  LEU  13          3HD1      LEU  13   9.440   8.983   3.358
   88   HD21  LEU  13          3HD2      LEU  13   8.240   7.307   0.292
   89   HD22  LEU  13          1HD2      LEU  13   9.348   8.508   0.959
   90   HD23  LEU  13          2HD2      LEU  13   9.649   6.780   1.236
   91    H    TYR  14           H        TYR  14   5.410   8.685   2.434
   92    HA   TYR  14           HA       TYR  14   4.112   8.800   5.006
   93    HB2  TYR  14           2HB      TYR  14   3.651  11.188   4.259
   94    HB3  TYR  14           3HB      TYR  14   5.335  10.686   4.326
   95    HD1  TYR  14           HD2      TYR  14   2.488  11.357   2.008
   96    HD2  TYR  14           HD1      TYR  14   6.732  10.712   2.382
   97    HE1  TYR  14           HE2      TYR  14   2.768  11.877  -0.400
   98    HE2  TYR  14           HE1      TYR  14   7.037  11.262  -0.013
   99    HH   TYR  14           HH       TYR  14   4.274  12.190  -2.132
  100    H    GLN  15           H        GLN  15   2.828   8.280   1.812
  101    HA   GLN  15           HA       GLN  15  -0.005   8.775   2.619
  102    HB2  GLN  15           2HB      GLN  15   1.441   7.973   0.068
  103    HB3  GLN  15           3HB      GLN  15  -0.292   7.709   0.240
  104    HG2  GLN  15           2HG      GLN  15  -0.629  10.128   0.660
  105    HG3  GLN  15           3HG      GLN  15   1.093  10.397   0.381
  106   HE21  GLN  15          2HE2      GLN  15   1.960   9.773  -1.868
  107   HE22  GLN  15          1HE2      GLN  15   0.816   9.725  -3.206
  108    H    LEU  16           H        LEU  16   2.213   6.059   1.787
  109    HA   LEU  16           HA       LEU  16   0.423   3.921   2.182
  110    HB2  LEU  16           2HB      LEU  16   3.413   4.260   2.470
  111    HB3  LEU  16           3HB      LEU  16   2.656   2.691   2.690
  112    HG   LEU  16           HG       LEU  16   2.435   4.335   0.125
  113   HD11  LEU  16          1HD1      LEU  16   4.766   3.653   0.540
  114   HD12  LEU  16          2HD1      LEU  16   4.244   1.977   0.820
  115   HD13  LEU  16          3HD1      LEU  16   4.073   2.714  -0.791
  116   HD21  LEU  16          3HD2      LEU  16   1.685   2.183  -0.846
  117   HD22  LEU  16          1HD2      LEU  16   1.787   1.429   0.748
  118   HD23  LEU  16          2HD2      LEU  16   0.583   2.700   0.442
  119    H    GLU  17           H        GLU  17   2.391   5.677   4.563
  120    HA   GLU  17           HA       GLU  17   1.945   4.028   6.767
  121    HB2  GLU  17           2HB      GLU  17   3.491   6.040   6.521
  122    HB3  GLU  17           3HB      GLU  17   2.107   7.045   6.968
  123    HG2  GLU  17           2HG      GLU  17   1.902   5.775   9.104
  124    HG3  GLU  17           3HG      GLU  17   3.218   4.713   8.609
  125    H    ASN  18           H        ASN  18  -0.325   6.231   5.262
  126    HA   ASN  18           HA       ASN  18  -2.141   6.516   7.475
  127    HB2  ASN  18           2HB      ASN  18  -2.807   6.546   4.501
  128    HB3  ASN  18           3HB      ASN  18  -3.765   7.208   5.814
  129   HD21  ASN  18          1HD2      ASN  18  -1.169   8.383   7.098
  130   HD22  ASN  18          2HD2      ASN  18  -0.865   9.791   6.100
  131    H    TYR  19           H        TYR  19  -1.507   3.806   5.412
  132    HA   TYR  19           HA       TYR  19  -4.049   2.462   6.208
  133    HB2  TYR  19           2HB      TYR  19  -2.098   1.506   4.126
  134    HB3  TYR  19           3HB      TYR  19  -3.795   1.097   4.305
  135    HD1  TYR  19           HD2      TYR  19  -5.527   3.087   3.910
  136    HD2  TYR  19           HD1      TYR  19  -1.421   3.151   2.661
  137    HE1  TYR  19           HE2      TYR  19  -6.073   4.812   2.187
  138    HE2  TYR  19           HE1      TYR  19  -1.921   4.908   0.989
  139    HH   TYR  19           HH       TYR  19  -3.574   6.211   0.030
  140    H    CYS  20           H        CYS  20  -1.138   2.796   7.615
  141    HA   CYS  20           HA       CYS  20  -0.386   0.031   8.068
  142    HB2  CYS  20           2HB      CYS  20   0.354   2.636   9.420
  143    HB3  CYS  20           3HB      CYS  20   0.975   1.082   9.901
  144    H    ASN  21           H        ASN  21  -0.606  -1.178   9.990
  145    HA   ASN  21           HA       ASN  21  -3.129  -0.955  11.394
  146    HB2  ASN  21           2HB      ASN  21  -0.635  -2.639  11.854
  147    HB3  ASN  21           3HB      ASN  21  -2.077  -2.769  12.854
  148   HD21  ASN  21          1HD2      ASN  21  -1.004  -4.938  11.388
  149   HD22  ASN  21          2HD2      ASN  21  -2.236  -5.410  10.221
  150    H1   PHE   1           H        PHE   1  11.549   1.788  -1.688
  151    HA   PHE   1           HA       PHE   1  11.971   1.244  -4.329
  152    HB2  PHE   1           2HB      PHE   1   9.450   0.793  -4.452
  153    HB3  PHE   1           3HB      PHE   1  10.424  -0.079  -3.292
  154    HD1  PHE   1           HD1      PHE   1   7.954   2.698  -3.632
  155    HD2  PHE   1           HD2      PHE   1  10.113   0.113  -0.960
  156    HE1  PHE   1           HE1      PHE   1   6.490   3.428  -1.747
  157    HE2  PHE   1           HE2      PHE   1   8.652   0.841   0.931
  158    HZ   PHE   1           HZ       PHE   1   6.857   2.486   0.542
  159    H    VAL   2           H        VAL   2  10.984   4.272  -3.210
  160    HA   VAL   2           HA       VAL   2  10.835   6.301  -4.185
  161    HB   VAL   2           HB       VAL   2  11.176   5.057  -6.947
  162   HG11  VAL   2          1HG1      VAL   2  12.138   7.294  -7.507
  163   HG12  VAL   2          2HG1      VAL   2  10.424   7.354  -7.125
  164   HG13  VAL   2          3HG1      VAL   2  11.618   7.886  -5.915
  165   HG21  VAL   2          3HG2      VAL   2  13.298   6.099  -5.003
  166   HG22  VAL   2          1HG2      VAL   2  13.117   4.412  -5.527
  167   HG23  VAL   2          2HG2      VAL   2  13.592   5.641  -6.694
  168    H    ASN   3           H        ASN   3   9.261   7.691  -4.884
  169    HA   ASN   3           HA       ASN   3   6.572   6.948  -4.924
  170    HB2  ASN   3           2HB      ASN   3   6.085   9.184  -5.448
  171    HB3  ASN   3           3HB      ASN   3   7.516   9.207  -4.444
  172   HD21  ASN   3          2HD2      ASN   3   9.561   9.928  -5.407
  173   HD22  ASN   3          1HD2      ASN   3   9.562  10.704  -6.977
  174    H    GLN   4           H        GLN   4   5.123   6.228  -6.327
  175    HA   GLN   4           HA       GLN   4   5.331   6.342  -9.214
  176    HB2  GLN   4           2HB      GLN   4   5.792   4.009  -9.653
  177    HB3  GLN   4           3HB      GLN   4   7.127   4.674  -8.728
  178    HG2  GLN   4           2HG      GLN   4   6.040   3.673  -6.632
  179    HG3  GLN   4           3HG      GLN   4   4.895   2.863  -7.704
  180   HE21  GLN   4          2HE2      GLN   4   8.332   3.051  -6.729
  181   HE22  GLN   4          1HE2      GLN   4   8.773   1.522  -7.461
  182    H    HIS   5           H        HIS   5   3.613   4.938 -10.246
  183    HA   HIS   5           HA       HIS   5   1.143   4.727  -8.660
  184    HB2  HIS   5           2HB      HIS   5   1.790   3.768 -11.477
  185    HB3  HIS   5           3HB      HIS   5   0.193   3.866 -10.739
  186    HD2  HIS   5           HD2      HIS   5   2.843   5.988 -12.474
  187    HE1  HIS   5           HE1      HIS   5  -0.389   8.624 -11.633
  188    HE2  HIS   5           HE2      HIS   5   1.827   8.380 -12.865
  189    H    LEU   6           H        LEU   6   0.738   3.020  -7.364
  190    HA   LEU   6           HA       LEU   6   2.527   0.608  -7.531
  191    HB2  LEU   6           2HB      LEU   6   3.081   2.616  -5.988
  192    HB3  LEU   6           3HB      LEU   6   1.613   2.217  -5.116
  193    HG   LEU   6           HG       LEU   6   2.732  -0.167  -4.856
  194   HD11  LEU   6          1HD1      LEU   6   5.192  -0.081  -4.795
  195   HD12  LEU   6          2HD1      LEU   6   4.648   0.355  -6.429
  196   HD13  LEU   6          3HD1      LEU   6   5.184   1.617  -5.300
  197   HD21  LEU   6          3HD2      LEU   6   3.874   0.693  -2.819
  198   HD22  LEU   6          1HD2      LEU   6   3.686   2.351  -3.412
  199   HD23  LEU   6          2HD2      LEU   6   2.256   1.372  -3.014
  200    H    CYS   7           H        CYS   7   1.419  -1.384  -7.420
  201    HA   CYS   7           HA       CYS   7  -1.173  -1.499  -6.011
  202    HB2  CYS   7           2HB      CYS   7  -1.441  -0.507  -8.410
  203    HB3  CYS   7           3HB      CYS   7  -1.269  -2.185  -8.929
  204    H    GLY   8           H        GLY   8  -2.064  -3.591  -5.725
  205    HA2  GLY   8           HA2      GLY   8  -2.052  -5.901  -5.447
  206    HA3  GLY   8           HA3      GLY   8  -1.019  -5.979  -6.882
  207    H    SER   9           H        SER   9   0.696  -7.218  -6.427
  208    HA   SER   9           HA       SER   9   1.883  -7.761  -3.940
  209    HB2  SER   9           2HB      SER   9   3.263  -7.645  -6.650
  210    HB3  SER   9           3HB      SER   9   3.794  -8.553  -5.224
  211    HG   SER   9           HG       SER   9   2.652  -9.888  -6.728
  212    H    HIS  10           H        HIS  10   2.746  -5.140  -6.266
  213    HA   HIS  10           HA       HIS  10   4.971  -4.032  -4.893
  214    HB2  HIS  10           2HB      HIS  10   2.810  -2.703  -6.579
  215    HB3  HIS  10           3HB      HIS  10   4.264  -1.906  -6.036
  216    HD2  HIS  10           HD2      HIS  10   5.529  -5.169  -6.850
  217    HE1  HIS  10           HE1      HIS  10   5.674  -3.074 -10.560
  218    HE2  HIS  10           HE2      HIS  10   6.504  -5.144  -9.310
  219    H    LEU  11           H        LEU  11   1.495  -3.467  -4.485
  220    HA   LEU  11           HA       LEU  11   1.796  -1.342  -2.553
  221    HB2  LEU  11           2HB      LEU  11  -0.125  -1.571  -4.043
  222    HB3  LEU  11           3HB      LEU  11  -0.591  -3.100  -3.301
  223    HG   LEU  11           HG       LEU  11  -1.210  -1.987  -1.236
  224   HD11  LEU  11          1HD1      LEU  11   0.509  -0.286  -1.036
  225   HD12  LEU  11          2HD1      LEU  11  -0.002   0.465  -2.557
  226   HD13  LEU  11          3HD1      LEU  11  -1.036   0.542  -1.113
  227   HD21  LEU  11          3HD2      LEU  11  -2.796  -1.970  -3.206
  228   HD22  LEU  11          1HD2      LEU  11  -3.065  -0.626  -2.089
  229   HD23  LEU  11          2HD2      LEU  11  -2.208  -0.346  -3.614
  230    H    VAL  12           H        VAL  12   1.071  -4.848  -2.239
  231    HA   VAL  12           HA       VAL  12   0.969  -4.800   0.625
  232    HB   VAL  12           HB       VAL  12   1.699  -7.080  -1.282
  233   HG11  VAL  12          1HG1      VAL  12   2.588  -7.712   0.913
  234   HG12  VAL  12          2HG1      VAL  12   1.049  -7.288   1.692
  235   HG13  VAL  12          3HG1      VAL  12   1.142  -8.655   0.566
  236   HG21  VAL  12          3HG2      VAL  12  -0.601  -6.275  -1.577
  237   HG22  VAL  12          1HG2      VAL  12  -0.598  -7.876  -0.848
  238   HG23  VAL  12          2HG2      VAL  12  -0.909  -6.448   0.166
  239    H    GLU  13           H        GLU  13   3.769  -5.514  -1.527
  240    HA   GLU  13           HA       GLU  13   5.550  -6.035   0.656
  241    HB2  GLU  13           2HB      GLU  13   7.269  -6.219  -0.891
  242    HB3  GLU  13           3HB      GLU  13   5.839  -6.779  -1.753
  243    HG2  GLU  13           2HG      GLU  13   5.714  -4.621  -2.940
  244    HG3  GLU  13           3HG      GLU  13   7.153  -4.053  -2.090
  245    H    ALA  14           H        ALA  14   4.826  -2.999  -1.097
  246    HA   ALA  14           HA       ALA  14   6.779  -1.366   0.241
  247    HB1  ALA  14           3HB      ALA  14   4.097  -0.735  -1.062
  248    HB2  ALA  14           1HB      ALA  14   5.346   0.460  -0.653
  249    HB3  ALA  14           2HB      ALA  14   5.685  -0.765  -1.886
  250    H    LEU  15           H        LEU  15   3.255  -1.931   0.870
  251    HA   LEU  15           HA       LEU  15   3.052  -0.301   3.177
  252    HB2  LEU  15           2HB      LEU  15   1.570  -2.804   2.304
  253    HB3  LEU  15           3HB      LEU  15   1.230  -1.964   3.831
  254    HG   LEU  15           HG       LEU  15   1.083  -0.577   1.196
  255   HD11  LEU  15          1HD1      LEU  15  -1.198  -1.870   2.732
  256   HD12  LEU  15          2HD1      LEU  15  -1.346  -0.905   1.249
  257   HD13  LEU  15          3HD1      LEU  15  -0.502  -2.462   1.205
  258   HD21  LEU  15          3HD2      LEU  15  -0.336   1.029   2.442
  259   HD22  LEU  15          1HD2      LEU  15  -0.123   0.073   3.926
  260   HD23  LEU  15          2HD2      LEU  15   1.258   0.908   3.194
  261    H    TYR  16           H        TYR  16   3.965  -3.806   2.987
  262    HA   TYR  16           HA       TYR  16   4.499  -4.054   5.773
  263    HB2  TYR  16           2HB      TYR  16   4.313  -6.013   4.410
  264    HB3  TYR  16           3HB      TYR  16   5.623  -5.487   3.350
  265    HD1  TYR  16           HD2      TYR  16   4.962  -6.200   6.992
  266    HD2  TYR  16           HD1      TYR  16   7.802  -6.239   3.753
  267    HE1  TYR  16           HE2      TYR  16   6.692  -7.091   8.538
  268    HE2  TYR  16           HE1      TYR  16   9.545  -7.143   5.286
  269    HH   TYR  16           HH       TYR  16  10.039  -7.816   7.438
  270    H    LEU  17           H        LEU  17   6.730  -2.899   3.150
  271    HA   LEU  17           HA       LEU  17   8.991  -2.695   4.867
  272    HB2  LEU  17           2HB      LEU  17   8.645  -2.512   2.173
  273    HB3  LEU  17           3HB      LEU  17   8.616  -0.804   2.550
  274    HG   LEU  17           HG       LEU  17  10.821  -1.186   3.813
  275   HD11  LEU  17          1HD1      LEU  17  10.751  -3.819   2.259
  276   HD12  LEU  17          2HD1      LEU  17  12.161  -3.164   3.116
  277   HD13  LEU  17          3HD1      LEU  17  10.733  -3.661   4.027
  278   HD21  LEU  17          3HD2      LEU  17  10.739  -1.681   0.804
  279   HD22  LEU  17          1HD2      LEU  17  10.754  -0.099   1.618
  280   HD23  LEU  17          2HD2      LEU  17  12.168  -1.154   1.721
  281    H    VAL  18           H        VAL  18   6.468  -0.335   4.094
  282    HA   VAL  18           HA       VAL  18   7.582   1.883   5.596
  283    HB   VAL  18           HB       VAL  18   4.747   1.236   4.696
  284   HG11  VAL  18          1HG1      VAL  18   4.541   2.892   6.504
  285   HG12  VAL  18          2HG1      VAL  18   5.826   3.888   5.779
  286   HG13  VAL  18          3HG1      VAL  18   4.273   3.682   4.948
  287   HG21  VAL  18          3HG2      VAL  18   5.234   2.844   2.888
  288   HG22  VAL  18          1HG2      VAL  18   6.817   3.224   3.593
  289   HG23  VAL  18          2HG2      VAL  18   6.517   1.636   2.889
  290    H    CYS  19           H        CYS  19   4.887  -0.348   6.283
  291    HA   CYS  19           HA       CYS  19   4.312   0.636   8.909
  292    HB2  CYS  19           2HB      CYS  19   3.593  -1.859   7.350
  293    HB3  CYS  19           3HB      CYS  19   2.810  -1.399   8.855
  294    H    GLY  20           H        GLY  20   6.487  -1.912   7.844
  295    HA2  GLY  20           HA2      GLY  20   8.037  -3.146   9.054
  296    HA3  GLY  20           HA3      GLY  20   7.475  -2.356  10.547
  297    H    GLU  21           H        GLU  21   7.749  -4.457  11.483
  298    HA   GLU  21           HA       GLU  21   6.305  -6.792  10.832
  299    HB2  GLU  21           2HB      GLU  21   8.273  -6.546  12.359
  300    HB3  GLU  21           3HB      GLU  21   7.209  -5.840  13.582
  301    HG2  GLU  21           2HG      GLU  21   5.951  -7.953  13.731
  302    HG3  GLU  21           3HG      GLU  21   6.881  -8.630  12.388
  303    H    ARG  22           H        ARG  22   5.116  -3.870  12.300
  304    HA   ARG  22           HA       ARG  22   2.763  -4.878  13.630
  305    HB2  ARG  22           2HB      ARG  22   3.311  -2.162  12.355
  306    HB3  ARG  22           3HB      ARG  22   1.934  -2.544  13.392
  307    HG2  ARG  22           2HG      ARG  22   3.477  -3.094  15.261
  308    HG3  ARG  22           3HG      ARG  22   4.864  -2.656  14.241
  309    HD2  ARG  22           2HD      ARG  22   3.972  -0.361  14.001
  310    HD3  ARG  22           3HD      ARG  22   2.584  -0.793  15.022
  311    HE   ARG  22           HE       ARG  22   4.978  -1.418  16.426
  312   HH11  ARG  22          1HH1      ARG  22   3.209   1.472  15.408
  313   HH12  ARG  22          2HH1      ARG  22   3.845   2.433  16.711
  314   HH21  ARG  22          1HH2      ARG  22   5.760  -0.125  18.082
  315   HH22  ARG  22          2HH2      ARG  22   5.269   1.537  18.203
  316    H    GLY  23           H        GLY  23   3.490  -4.180  10.253
  317    HA2  GLY  23           HA2      GLY  23   2.416  -4.802   8.320
  318    HA3  GLY  23           HA3      GLY  23   1.272  -5.720   9.310
  319    H    HIS  24           H        HIS  24  -0.201  -5.157   7.695
  320    HA   HIS  24           HA       HIS  24  -1.673  -2.625   8.076
  321    HB2  HIS  24           2HB      HIS  24  -1.651  -2.236   5.609
  322    HB3  HIS  24           3HB      HIS  24  -0.079  -2.036   6.369
  323    HD2  HIS  24           HD2      HIS  24   1.845  -3.774   5.757
  324    HE1  HIS  24           HE1      HIS  24  -0.140  -5.572   2.466
  325    HE2  HIS  24           HE2      HIS  24   2.084  -5.370   3.677
  326    H    PHE  25           H        PHE  25  -3.800  -2.665   7.095
  327    HA   PHE  25           HA       PHE  25  -5.048  -5.276   7.432
  328    HB2  PHE  25           2HB      PHE  25  -7.152  -3.932   7.195
  329    HB3  PHE  25           3HB      PHE  25  -6.082  -3.468   8.499
  330    HD1  PHE  25           HD2      PHE  25  -7.055  -2.505   4.988
  331    HD2  PHE  25           HD1      PHE  25  -5.370  -1.231   8.752
  332    HE1  PHE  25           HE2      PHE  25  -7.106  -0.147   4.218
  333    HE2  PHE  25           HE1      PHE  25  -5.450   1.123   7.991
  334    HZ   PHE  25           HZ       PHE  25  -6.330   1.674   5.725
  335    H    TYR  26           H        TYR  26  -3.915  -3.621   4.633
  336    HA   TYR  26           HA       TYR  26  -5.844  -4.811   2.764
  337    HB2  TYR  26           2HB      TYR  26  -5.010  -2.644   2.279
  338    HB3  TYR  26           3HB      TYR  26  -3.336  -3.145   2.471
  339    HD1  TYR  26           HD1      TYR  26  -6.369  -3.681   0.311
  340    HD2  TYR  26           HD2      TYR  26  -2.085  -3.955   0.645
  341    HE1  TYR  26           HE1      TYR  26  -6.212  -4.257  -2.110
  342    HE2  TYR  26           HE2      TYR  26  -1.911  -4.456  -1.765
  343    HH   TYR  26           HH       TYR  26  -3.059  -4.845  -3.722
  344    H    THR  27           H        THR  27  -5.767  -6.998   2.727
  345    HA   THR  27           HA       THR  27  -3.214  -8.312   1.881
  346    HB   THR  27           HB       THR  27  -3.817 -10.274   3.280
  347    HG1  THR  27           HG1      THR  27  -5.967  -9.655   3.728
  348   HG21  THR  27          1HG2      THR  27  -3.223  -7.701   4.824
  349   HG22  THR  27          2HG2      THR  27  -2.816  -9.359   5.307
  350   HG23  THR  27          3HG2      THR  27  -2.032  -8.628   3.895
  351    HA   PRO  28           HA       PRO  28  -6.694  -8.567  -0.957
  352    HB2  PRO  28           2HB      PRO  28  -5.348  -8.832  -3.352
  353    HB3  PRO  28           3HB      PRO  28  -5.612  -7.292  -2.479
  354    HG2  PRO  28           2HG      PRO  28  -3.174  -9.095  -2.373
  355    HG3  PRO  28           3HG      PRO  28  -3.226  -7.320  -2.613
  356    HD2  PRO  28           2HD      PRO  28  -2.748  -8.381  -0.178
  357    HD3  PRO  28           3HD      PRO  28  -3.806  -6.944  -0.337
  358    H    LYS  29           H        LYS  29  -7.177 -12.042  -1.871
  359    HA   LYS  29           HA       LYS  29  -8.325  -9.384  -2.143
  360    HB2  LYS  29           2HB      LYS  29  -9.093 -11.362  -3.396
  361    HB3  LYS  29           3HB      LYS  29  -9.610 -12.124  -1.883
  362    HG2  LYS  29           2HG      LYS  29 -11.255 -10.311  -1.513
  363    HG3  LYS  29           3HG      LYS  29 -10.648  -9.447  -2.930
  364    HD2  LYS  29           2HD      LYS  29 -12.719 -10.557  -3.493
  365    HD3  LYS  29           3HD      LYS  29 -11.392 -11.303  -4.395
  366    HE2  LYS  29           2HE      LYS  29 -11.324 -13.171  -2.750
  367    HE3  LYS  29           3HE      LYS  29 -12.616 -12.404  -1.817
  368    HZ1  LYS  29           HZ1      LYS  29 -14.075 -12.677  -3.745
  369    HZ2  LYS  29           HZ2      LYS  29 -12.879 -13.382  -4.609
  370    HZ3  LYS  29           HZ3      LYS  29 -13.480 -14.127  -3.286
  371    H    THR  30           H        THR  30  -8.825  -8.077  -0.527
  372    HA   THR  30           HA       THR  30  -8.606  -8.826   2.244
  373    HB   THR  30           HB       THR  30  -9.503  -6.187   1.042
  374    HG1  THR  30           HG1      THR  30  -7.454  -5.755   0.747
  375   HG21  THR  30          1HG2      THR  30  -8.215  -6.900   3.717
  376   HG22  THR  30          2HG2      THR  30  -8.467  -5.246   3.112
  377   HG23  THR  30          3HG2      THR  30  -9.861  -6.274   3.474
  Start of MODEL   28
    1    H1   GLY   1           1H       GLY   1 -11.184   3.605  -2.986
    2    H2   GLY   1           2H       GLY   1 -10.662   4.941  -2.183
    3    H3   GLY   1           3H       GLY   1 -12.040   4.182  -1.719
    4    HA2  GLY   1           HA2      GLY   1 -10.358   3.621  -0.156
    5    HA3  GLY   1           HA3      GLY   1 -10.775   2.192  -1.119
    6    H    ILE   2           H        ILE   2  -8.465   2.068   0.135
    7    HA   ILE   2           HA       ILE   2  -6.207   3.404  -0.716
    8    HB   ILE   2           HB       ILE   2  -6.380   1.997   1.279
    9   HG12  ILE   2          2HG1      ILE   2  -3.993   1.511  -0.541
   10   HG13  ILE   2          3HG1      ILE   2  -4.238   2.821   0.604
   11   HG21  ILE   2          1HG2      ILE   2  -6.137  -0.376   1.311
   12   HG22  ILE   2          2HG2      ILE   2  -7.437  -0.043   0.177
   13   HG23  ILE   2          3HG2      ILE   2  -5.812  -0.459  -0.424
   14   HD11  ILE   2          3HD1      ILE   2  -3.738  -0.116   1.211
   15   HD12  ILE   2          1HD1      ILE   2  -2.721   1.282   1.609
   16   HD13  ILE   2          2HD1      ILE   2  -4.271   1.042   2.446
   17    H    VAL   3           H        VAL   3  -7.304   0.326  -2.164
   18    HA   VAL   3           HA       VAL   3  -5.036   0.077  -3.885
   19    HB   VAL   3           HB       VAL   3  -7.764  -1.120  -4.489
   20   HG11  VAL   3          1HG1      VAL   3  -6.392  -2.956  -5.484
   21   HG12  VAL   3          2HG1      VAL   3  -6.104  -1.418  -6.295
   22   HG13  VAL   3          3HG1      VAL   3  -4.915  -2.037  -5.126
   23   HG21  VAL   3          3HG2      VAL   3  -7.304  -1.707  -2.180
   24   HG22  VAL   3          1HG2      VAL   3  -6.975  -3.115  -3.188
   25   HG23  VAL   3          2HG2      VAL   3  -5.625  -2.128  -2.578
   26    H    GLU   4           H        GLU   4  -8.171   1.695  -4.339
   27    HA   GLU   4           HA       GLU   4  -7.911   2.160  -7.180
   28    HB2  GLU   4           2HB      GLU   4  -9.507   3.676  -5.077
   29    HB3  GLU   4           3HB      GLU   4  -9.686   3.846  -6.821
   30    HG2  GLU   4           2HG      GLU   4 -10.466   1.549  -7.038
   31    HG3  GLU   4           3HG      GLU   4 -10.162   1.228  -5.327
   32    H    GLN   5           H        GLN   5  -7.342   4.287  -4.296
   33    HA   GLN   5           HA       GLN   5  -6.375   6.443  -5.930
   34    HB2  GLN   5           2HB      GLN   5  -5.866   7.582  -3.891
   35    HB3  GLN   5           3HB      GLN   5  -7.421   6.768  -3.738
   36    HG2  GLN   5           2HG      GLN   5  -6.222   4.911  -2.483
   37    HG3  GLN   5           3HG      GLN   5  -4.771   5.921  -2.487
   38   HE21  GLN   5          2HE2      GLN   5  -5.176   8.268  -1.544
   39   HE22  GLN   5          1HE2      GLN   5  -6.231   8.312  -0.142
   40    H    CYS   6           H        CYS   6  -4.559   3.844  -4.183
   41    HA   CYS   6           HA       CYS   6  -2.004   5.009  -4.985
   42    HB2  CYS   6           2HB      CYS   6  -2.747   2.287  -3.852
   43    HB3  CYS   6           3HB      CYS   6  -1.107   2.798  -4.209
   44    H    CYS   7           H        CYS   7  -4.221   2.835  -6.642
   45    HA   CYS   7           HA       CYS   7  -2.075   2.076  -8.538
   46    HB2  CYS   7           2HB      CYS   7  -3.757   0.466  -7.640
   47    HB3  CYS   7           3HB      CYS   7  -4.989   1.292  -8.601
   48    H    THR   8           H        THR   8  -4.690   4.414  -8.383
   49    HA   THR   8           HA       THR   8  -4.344   5.149 -11.253
   50    HB   THR   8           HB       THR   8  -6.211   6.685 -10.911
   51    HG1  THR   8           HG1      THR   8  -6.480   5.505  -8.351
   52   HG21  THR   8          1HG2      THR   8  -7.992   5.029 -10.636
   53   HG22  THR   8          2HG2      THR   8  -6.687   4.388 -11.649
   54   HG23  THR   8          3HG2      THR   8  -6.843   3.855  -9.962
   55    H    SER   9           H        SER   9  -3.230   6.257  -8.138
   56    HA   SER   9           HA       SER   9  -1.750   8.413  -9.529
   57    HB2  SER   9           2HB      SER   9  -3.856   9.348  -8.455
   58    HB3  SER   9           3HB      SER   9  -3.148   8.910  -6.887
   59    HG   SER   9           HG       SER   9  -2.694  11.109  -7.572
   60    H    ILE  10           H        ILE  10  -0.194   9.429  -7.731
   61    HA   ILE  10           HA       ILE  10   1.665   7.259  -7.116
   62    HB   ILE  10           HB       ILE  10   1.768  10.228  -6.447
   63   HG12  ILE  10          2HG1      ILE  10   1.758   9.847  -8.887
   64   HG13  ILE  10          3HG1      ILE  10   3.270  10.517  -8.307
   65   HG21  ILE  10          1HG2      ILE  10   3.246   9.126  -4.917
   66   HG22  ILE  10          2HG2      ILE  10   3.906   8.077  -6.182
   67   HG23  ILE  10          3HG2      ILE  10   4.251   9.823  -6.185
   68   HD11  ILE  10          3HD1      ILE  10   3.656   8.808 -10.018
   69   HD12  ILE  10          1HD1      ILE  10   4.357   8.308  -8.469
   70   HD13  ILE  10          2HD1      ILE  10   2.821   7.593  -9.039
   71    H    CYS  11           H        CYS  11   2.012   6.191  -5.286
   72    HA   CYS  11           HA       CYS  11   1.114   7.410  -2.706
   73    HB2  CYS  11           2HB      CYS  11   0.866   4.548  -3.598
   74    HB3  CYS  11           3HB      CYS  11   1.142   4.919  -1.891
   75    H    SER  12           H        SER  12   2.432   7.209  -0.954
   76    HA   SER  12           HA       SER  12   5.310   6.573  -1.336
   77    HB2  SER  12           2HB      SER  12   4.200   9.318  -0.624
   78    HB3  SER  12           3HB      SER  12   5.911   8.876  -0.684
   79    HG   SER  12           HG       SER  12   5.095   9.999  -2.582
   80    H    LEU  13           H        LEU  13   6.502   6.831   0.734
   81    HA   LEU  13           HA       LEU  13   5.410   5.336   2.720
   82    HB2  LEU  13           2HB      LEU  13   7.325   5.940   4.078
   83    HB3  LEU  13           3HB      LEU  13   7.751   5.674   2.396
   84    HG   LEU  13           HG       LEU  13   7.460   8.415   2.390
   85   HD11  LEU  13          1HD1      LEU  13   8.545   9.341   4.372
   86   HD12  LEU  13          2HD1      LEU  13   7.099   8.468   4.891
   87   HD13  LEU  13          3HD1      LEU  13   8.692   7.727   5.100
   88   HD21  LEU  13          3HD2      LEU  13   9.921   8.511   2.478
   89   HD22  LEU  13          1HD2      LEU  13   9.971   6.852   3.117
   90   HD23  LEU  13          2HD2      LEU  13   9.364   7.162   1.476
   91    H    TYR  14           H        TYR  14   5.375   8.895   2.848
   92    HA   TYR  14           HA       TYR  14   4.276   9.007   5.506
   93    HB2  TYR  14           2HB      TYR  14   3.864  11.435   4.815
   94    HB3  TYR  14           3HB      TYR  14   5.529  10.859   4.775
   95    HD1  TYR  14           HD1      TYR  14   2.579  11.683   2.656
   96    HD2  TYR  14           HD2      TYR  14   6.801  10.834   2.737
   97    HE1  TYR  14           HE1      TYR  14   2.719  12.193   0.226
   98    HE2  TYR  14           HE2      TYR  14   6.975  11.416   0.334
   99    HH   TYR  14           HH       TYR  14   5.855  12.152  -1.546
  100    H    GLN  15           H        GLN  15   2.773   8.543   2.422
  101    HA   GLN  15           HA       GLN  15   0.015   9.104   3.450
  102    HB2  GLN  15           2HB      GLN  15   1.240   8.438   0.747
  103    HB3  GLN  15           3HB      GLN  15  -0.478   8.188   1.026
  104    HG2  GLN  15           2HG      GLN  15   0.938  10.853   1.344
  105    HG3  GLN  15           3HG      GLN  15   0.020  10.351  -0.065
  106   HE21  GLN  15          2HE2      GLN  15  -0.234  11.865   3.057
  107   HE22  GLN  15          1HE2      GLN  15  -1.987  11.886   3.100
  108    H    LEU  16           H        LEU  16   2.087   6.372   2.360
  109    HA   LEU  16           HA       LEU  16   0.207   4.301   2.793
  110    HB2  LEU  16           2HB      LEU  16   3.223   4.466   2.841
  111    HB3  LEU  16           3HB      LEU  16   2.394   2.927   3.004
  112    HG   LEU  16           HG       LEU  16   2.109   4.771   0.587
  113   HD11  LEU  16          1HD1      LEU  16   3.807   2.271   1.049
  114   HD12  LEU  16          2HD1      LEU  16   3.586   3.093  -0.519
  115   HD13  LEU  16          3HD1      LEU  16   4.388   3.936   0.811
  116   HD21  LEU  16          3HD2      LEU  16   1.134   2.805  -0.514
  117   HD22  LEU  16          1HD2      LEU  16   1.297   1.867   0.980
  118   HD23  LEU  16          2HD2      LEU  16   0.164   3.235   0.906
  119    H    GLU  17           H        GLU  17   2.391   5.885   5.101
  120    HA   GLU  17           HA       GLU  17   2.185   4.111   7.245
  121    HB2  GLU  17           2HB      GLU  17   3.630   6.176   6.991
  122    HB3  GLU  17           3HB      GLU  17   2.241   7.147   7.479
  123    HG2  GLU  17           2HG      GLU  17   2.174   5.945   9.648
  124    HG3  GLU  17           3HG      GLU  17   3.488   4.891   9.117
  125    H    ASN  18           H        ASN  18  -0.283   6.327   6.064
  126    HA   ASN  18           HA       ASN  18  -1.950   6.382   8.407
  127    HB2  ASN  18           2HB      ASN  18  -2.631   6.745   5.461
  128    HB3  ASN  18           3HB      ASN  18  -3.730   7.067   6.780
  129   HD21  ASN  18          2HD2      ASN  18  -0.998   8.249   5.036
  130   HD22  ASN  18          1HD2      ASN  18  -0.801   9.767   5.919
  131    H    TYR  19           H        TYR  19  -1.356   3.808   6.170
  132    HA   TYR  19           HA       TYR  19  -3.764   2.312   7.111
  133    HB2  TYR  19           2HB      TYR  19  -1.975   1.522   4.825
  134    HB3  TYR  19           3HB      TYR  19  -3.619   1.001   5.153
  135    HD1  TYR  19           HD2      TYR  19  -5.529   2.763   4.829
  136    HD2  TYR  19           HD1      TYR  19  -1.499   3.331   3.460
  137    HE1  TYR  19           HE2      TYR  19  -6.306   4.562   3.296
  138    HE2  TYR  19           HE1      TYR  19  -2.239   5.153   1.946
  139    HH   TYR  19           HH       TYR  19  -5.702   6.113   1.709
  140    H    CYS  20           H        CYS  20  -0.789   2.761   8.216
  141    HA   CYS  20           HA       CYS  20   0.246   0.059   8.557
  142    HB2  CYS  20           2HB      CYS  20   1.667   2.050   8.510
  143    HB3  CYS  20           3HB      CYS  20   0.855   2.691   9.936
  144    H    ASN  21           H        ASN  21   0.013  -1.326  10.338
  145    HA   ASN  21           HA       ASN  21  -2.313  -1.104  12.022
  146    HB2  ASN  21           2HB      ASN  21   0.161  -2.874  12.130
  147    HB3  ASN  21           3HB      ASN  21  -1.113  -2.971  13.332
  148   HD21  ASN  21          1HD2      ASN  21  -0.459  -5.202  11.858
  149   HD22  ASN  21          2HD2      ASN  21  -1.840  -5.592  10.838
  150    H1   PHE   1           H        PHE   1  11.797   0.738  -1.452
  151    HA   PHE   1           HA       PHE   1  10.895   0.299  -4.113
  152    HB2  PHE   1           2HB      PHE   1   8.575   0.449  -4.000
  153    HB3  PHE   1           3HB      PHE   1   9.005  -0.738  -2.789
  154    HD1  PHE   1           HD2      PHE   1   9.200   0.073  -0.341
  155    HD2  PHE   1           HD1      PHE   1   7.291   2.356  -3.437
  156    HE1  PHE   1           HE2      PHE   1   8.019   1.417   1.392
  157    HE2  PHE   1           HE1      PHE   1   6.098   3.707  -1.717
  158    HZ   PHE   1           HZ       PHE   1   6.473   3.239   0.701
  159    H    VAL   2           H        VAL   2   9.691   2.292  -4.965
  160    HA   VAL   2           HA       VAL   2  10.330   4.842  -3.594
  161    HB   VAL   2           HB       VAL   2  11.126   5.879  -5.688
  162   HG11  VAL   2          1HG1      VAL   2  12.745   5.095  -3.986
  163   HG12  VAL   2          2HG1      VAL   2  12.893   3.546  -4.851
  164   HG13  VAL   2          3HG1      VAL   2  13.407   5.056  -5.629
  165   HG21  VAL   2          3HG2      VAL   2  10.199   4.343  -7.376
  166   HG22  VAL   2          1HG2      VAL   2  11.944   4.529  -7.572
  167   HG23  VAL   2          2HG2      VAL   2  11.299   3.055  -6.829
  168    H    ASN   3           H        ASN   3   9.089   6.654  -4.419
  169    HA   ASN   3           HA       ASN   3   6.368   6.119  -4.672
  170    HB2  ASN   3           2HB      ASN   3   6.025   8.423  -4.995
  171    HB3  ASN   3           3HB      ASN   3   7.364   8.242  -3.886
  172   HD21  ASN   3          2HD2      ASN   3   9.539   8.898  -4.626
  173   HD22  ASN   3          1HD2      ASN   3   9.701   9.871  -6.074
  174    H    GLN   4           H        GLN   4   4.954   5.693  -6.171
  175    HA   GLN   4           HA       GLN   4   4.982   6.200  -8.952
  176    HB2  GLN   4           2HB      GLN   4   5.482   4.052  -9.901
  177    HB3  GLN   4           3HB      GLN   4   6.875   4.599  -9.008
  178    HG2  GLN   4           2HG      GLN   4   5.970   3.121  -7.051
  179    HG3  GLN   4           3HG      GLN   4   4.917   2.402  -8.274
  180   HE21  GLN   4          2HE2      GLN   4   8.292   2.889  -7.279
  181   HE22  GLN   4          1HE2      GLN   4   8.964   1.626  -8.315
  182    H    HIS   5           H        HIS   5   3.376   4.246  -9.923
  183    HA   HIS   5           HA       HIS   5   0.950   4.309  -8.262
  184    HB2  HIS   5           2HB      HIS   5   1.500   3.031 -10.966
  185    HB3  HIS   5           3HB      HIS   5  -0.072   3.187 -10.186
  186    HD2  HIS   5           HD2      HIS   5   2.570   5.233 -12.079
  187    HE1  HIS   5           HE1      HIS   5  -0.807   7.775 -11.613
  188    HE2  HIS   5           HE2      HIS   5   1.469   7.529 -12.727
  189    H    LEU   6           H        LEU   6   0.546   2.843  -6.773
  190    HA   LEU   6           HA       LEU   6   1.973   0.209  -6.672
  191    HB2  LEU   6           2HB      LEU   6   1.054   2.237  -4.650
  192    HB3  LEU   6           3HB      LEU   6   0.933   0.550  -4.198
  193    HG   LEU   6           HG       LEU   6   3.268   0.171  -4.363
  194   HD11  LEU   6          1HD1      LEU   6   4.911   1.926  -4.944
  195   HD12  LEU   6          2HD1      LEU   6   3.916   1.475  -6.330
  196   HD13  LEU   6          3HD1      LEU   6   3.587   2.995  -5.458
  197   HD21  LEU   6          3HD2      LEU   6   2.417   1.259  -2.330
  198   HD22  LEU   6          1HD2      LEU   6   4.070   1.818  -2.684
  199   HD23  LEU   6          2HD2      LEU   6   2.688   2.862  -3.047
  200    H    CYS   7           H        CYS   7   0.821  -1.443  -7.262
  201    HA   CYS   7           HA       CYS   7  -2.144  -1.559  -6.781
  202    HB2  CYS   7           2HB      CYS   7  -0.655  -2.615  -9.206
  203    HB3  CYS   7           3HB      CYS   7  -2.394  -2.582  -8.976
  204    H    GLY   8           H        GLY   8  -2.710  -3.373  -5.633
  205    HA2  GLY   8           HA2      GLY   8  -2.728  -5.534  -4.805
  206    HA3  GLY   8           HA3      GLY   8  -1.909  -5.978  -6.303
  207    H    SER   9           H        SER   9   0.021  -6.903  -6.107
  208    HA   SER   9           HA       SER   9   1.283  -7.509  -3.633
  209    HB2  SER   9           2HB      SER   9   3.180  -8.232  -5.110
  210    HB3  SER   9           3HB      SER   9   1.605  -8.931  -5.515
  211    HG   SER   9           HG       SER   9   2.718  -8.207  -7.394
  212    H    HIS  10           H        HIS  10   2.324  -5.098  -6.122
  213    HA   HIS  10           HA       HIS  10   4.484  -3.956  -4.731
  214    HB2  HIS  10           2HB      HIS  10   2.501  -2.935  -6.771
  215    HB3  HIS  10           3HB      HIS  10   3.578  -1.789  -5.987
  216    HD2  HIS  10           HD2      HIS  10   4.402  -5.345  -7.404
  217    HE1  HIS  10           HE1      HIS  10   7.090  -2.519  -9.117
  218    HE2  HIS  10           HE2      HIS  10   6.464  -4.993  -9.004
  219    H    LEU  11           H        LEU  11   1.020  -3.201  -4.315
  220    HA   LEU  11           HA       LEU  11   1.457  -1.044  -2.425
  221    HB2  LEU  11           2HB      LEU  11  -0.570  -1.234  -3.811
  222    HB3  LEU  11           3HB      LEU  11  -0.993  -2.751  -3.038
  223    HG   LEU  11           HG       LEU  11  -1.382  -1.631  -0.905
  224   HD11  LEU  11          1HD1      LEU  11  -0.635   0.952  -2.354
  225   HD12  LEU  11          2HD1      LEU  11  -1.401   0.859  -0.754
  226   HD13  LEU  11          3HD1      LEU  11   0.231   0.226  -0.981
  227   HD21  LEU  11          3HD2      LEU  11  -2.763  -0.163  -3.193
  228   HD22  LEU  11          1HD2      LEU  11  -3.171  -1.805  -2.659
  229   HD23  LEU  11          2HD2      LEU  11  -3.402  -0.444  -1.557
  230    H    VAL  12           H        VAL  12   0.664  -4.529  -2.004
  231    HA   VAL  12           HA       VAL  12   0.703  -4.465   0.863
  232    HB   VAL  12           HB       VAL  12   1.303  -6.738  -1.094
  233   HG11  VAL  12          1HG1      VAL  12   0.890  -6.989   1.916
  234   HG12  VAL  12          2HG1      VAL  12   0.894  -8.336   0.764
  235   HG13  VAL  12          3HG1      VAL  12   2.363  -7.397   1.010
  236   HG21  VAL  12          3HG2      VAL  12  -1.014  -5.929  -1.194
  237   HG22  VAL  12          1HG2      VAL  12  -0.948  -7.544  -0.502
  238   HG23  VAL  12          2HG2      VAL  12  -1.183  -6.138   0.559
  239    H    GLU  13           H        GLU  13   3.335  -5.147  -1.442
  240    HA   GLU  13           HA       GLU  13   5.411  -5.700   0.427
  241    HB2  GLU  13           2HB      GLU  13   5.451  -4.492  -2.370
  242    HB3  GLU  13           3HB      GLU  13   6.908  -4.948  -1.495
  243    HG2  GLU  13           2HG      GLU  13   4.698  -6.969  -2.039
  244    HG3  GLU  13           3HG      GLU  13   5.926  -6.581  -3.231
  245    H    ALA  14           H        ALA  14   4.460  -2.591  -1.135
  246    HA   ALA  14           HA       ALA  14   6.406  -0.954   0.146
  247    HB1  ALA  14           3HB      ALA  14   5.137  -0.311  -1.862
  248    HB2  ALA  14           1HB      ALA  14   3.618  -0.331  -0.926
  249    HB3  ALA  14           2HB      ALA  14   4.876   0.866  -0.564
  250    H    LEU  15           H        LEU  15   2.978  -1.611   1.053
  251    HA   LEU  15           HA       LEU  15   2.916  -0.042   3.410
  252    HB2  LEU  15           2HB      LEU  15   1.444  -2.549   2.529
  253    HB3  LEU  15           3HB      LEU  15   1.116  -1.760   4.085
  254    HG   LEU  15           HG       LEU  15   0.914  -0.293   1.473
  255   HD11  LEU  15          1HD1      LEU  15  -0.576  -2.256   1.471
  256   HD12  LEU  15          2HD1      LEU  15  -1.310  -1.705   2.995
  257   HD13  LEU  15          3HD1      LEU  15  -1.478  -0.740   1.509
  258   HD21  LEU  15          3HD2      LEU  15  -0.550   1.216   2.809
  259   HD22  LEU  15          1HD2      LEU  15  -0.234   0.221   4.252
  260   HD23  LEU  15          2HD2      LEU  15   1.077   1.135   3.494
  261    H    TYR  16           H        TYR  16   3.981  -3.439   2.992
  262    HA   TYR  16           HA       TYR  16   4.638  -3.838   5.777
  263    HB2  TYR  16           2HB      TYR  16   4.304  -5.764   4.444
  264    HB3  TYR  16           3HB      TYR  16   5.407  -5.206   3.191
  265    HD1  TYR  16           HD2      TYR  16   5.401  -6.119   6.853
  266    HD2  TYR  16           HD1      TYR  16   7.623  -5.926   3.163
  267    HE1  TYR  16           HE2      TYR  16   7.364  -7.119   7.995
  268    HE2  TYR  16           HE1      TYR  16   9.603  -6.898   4.299
  269    HH   TYR  16           HH       TYR  16   9.554  -7.824   7.778
  270    H    LEU  17           H        LEU  17   6.630  -2.637   2.996
  271    HA   LEU  17           HA       LEU  17   9.051  -2.447   4.567
  272    HB2  LEU  17           2HB      LEU  17   8.146  -1.710   1.841
  273    HB3  LEU  17           3HB      LEU  17   9.281  -0.558   2.528
  274    HG   LEU  17           HG       LEU  17  10.904  -2.349   2.974
  275   HD11  LEU  17          1HD1      LEU  17  10.601  -4.595   1.958
  276   HD12  LEU  17          2HD1      LEU  17   9.432  -4.295   3.246
  277   HD13  LEU  17          3HD1      LEU  17   8.924  -4.181   1.544
  278   HD21  LEU  17          3HD2      LEU  17  10.991  -1.088   0.859
  279   HD22  LEU  17          1HD2      LEU  17  11.532  -2.757   0.622
  280   HD23  LEU  17          2HD2      LEU  17   9.906  -2.274   0.092
  281    H    VAL  18           H        VAL  18   6.453  -0.106   3.974
  282    HA   VAL  18           HA       VAL  18   7.663   2.061   5.470
  283    HB   VAL  18           HB       VAL  18   4.764   1.455   4.767
  284   HG11  VAL  18          1HG1      VAL  18   4.285   3.844   5.266
  285   HG12  VAL  18          2HG1      VAL  18   4.693   2.946   6.725
  286   HG13  VAL  18          3HG1      VAL  18   5.902   4.018   5.980
  287   HG21  VAL  18          3HG2      VAL  18   6.748   3.477   3.643
  288   HG22  VAL  18          1HG2      VAL  18   6.329   1.937   2.885
  289   HG23  VAL  18          2HG2      VAL  18   5.089   3.165   3.073
  290    H    CYS  19           H        CYS  19   5.053  -0.229   6.367
  291    HA   CYS  19           HA       CYS  19   4.909   0.753   9.077
  292    HB2  CYS  19           2HB      CYS  19   3.063  -0.227   7.595
  293    HB3  CYS  19           3HB      CYS  19   3.739  -1.807   7.943
  294    H    GLY  20           H        GLY  20   6.727  -1.909   7.699
  295    HA2  GLY  20           HA2      GLY  20   8.430  -3.182   8.652
  296    HA3  GLY  20           HA3      GLY  20   8.069  -2.489  10.247
  297    H    GLU  21           H        GLU  21   8.349  -4.626  11.046
  298    HA   GLU  21           HA       GLU  21   6.797  -6.898  10.324
  299    HB2  GLU  21           2HB      GLU  21   8.195  -6.205  12.939
  300    HB3  GLU  21           3HB      GLU  21   7.558  -7.800  12.523
  301    HG2  GLU  21           2HG      GLU  21   9.057  -7.885  10.537
  302    HG3  GLU  21           3HG      GLU  21   9.756  -6.332  11.009
  303    H    ARG  22           H        ARG  22   5.683  -4.112  11.855
  304    HA   ARG  22           HA       ARG  22   3.611  -5.020  13.604
  305    HB2  ARG  22           2HB      ARG  22   3.703  -2.635  11.717
  306    HB3  ARG  22           3HB      ARG  22   2.553  -2.840  13.043
  307    HG2  ARG  22           2HG      ARG  22   4.423  -2.756  14.675
  308    HG3  ARG  22           3HG      ARG  22   5.574  -2.537  13.340
  309    HD2  ARG  22           2HD      ARG  22   4.325  -0.462  12.654
  310    HD3  ARG  22           3HD      ARG  22   3.274  -0.670  14.053
  311    HE   ARG  22           HE       ARG  22   4.962   0.039  15.476
  312   HH11  ARG  22          1HH1      ARG  22   6.392  -0.338  12.242
  313   HH12  ARG  22          2HH1      ARG  22   7.848   0.493  12.712
  314   HH21  ARG  22          2HH2      ARG  22   6.864   1.090  15.988
  315   HH22  ARG  22          1HH2      ARG  22   8.110   1.284  14.792
  316    H    GLY  23           H        GLY  23   3.838  -4.936  10.077
  317    HA2  GLY  23           HA2      GLY  23   2.461  -5.792   8.407
  318    HA3  GLY  23           HA3      GLY  23   1.391  -6.469   9.651
  319    H    HIS  24           H        HIS  24  -0.047  -5.673   7.767
  320    HA   HIS  24           HA       HIS  24  -1.324  -3.155   8.637
  321    HB2  HIS  24           2HB      HIS  24  -1.459  -2.330   6.298
  322    HB3  HIS  24           3HB      HIS  24   0.171  -2.337   6.958
  323    HD2  HIS  24           HD2      HIS  24   1.986  -3.758   5.739
  324    HE1  HIS  24           HE1      HIS  24  -0.443  -5.338   2.637
  325    HE2  HIS  24           HE2      HIS  24   1.945  -5.106   3.478
  326    H    PHE  25           H        PHE  25  -3.497  -2.885   7.815
  327    HA   PHE  25           HA       PHE  25  -4.907  -5.414   7.959
  328    HB2  PHE  25           2HB      PHE  25  -6.915  -3.943   8.041
  329    HB3  PHE  25           3HB      PHE  25  -5.704  -3.635   9.266
  330    HD1  PHE  25           HD2      PHE  25  -6.965  -2.365   5.960
  331    HD2  PHE  25           HD1      PHE  25  -4.820  -1.453   9.599
  332    HE1  PHE  25           HE2      PHE  25  -6.995   0.046   5.378
  333    HE2  PHE  25           HE1      PHE  25  -4.895   0.958   9.029
  334    HZ   PHE  25           HZ       PHE  25  -6.005   1.715   6.934
  335    H    TYR  26           H        TYR  26  -3.832  -3.615   5.228
  336    HA   TYR  26           HA       TYR  26  -5.880  -4.708   3.409
  337    HB2  TYR  26           2HB      TYR  26  -5.076  -2.529   2.881
  338    HB3  TYR  26           3HB      TYR  26  -3.397  -3.047   2.980
  339    HD1  TYR  26           HD1      TYR  26  -6.547  -4.057   1.118
  340    HD2  TYR  26           HD2      TYR  26  -2.287  -3.469   0.985
  341    HE1  TYR  26           HE1      TYR  26  -6.523  -4.738  -1.271
  342    HE2  TYR  26           HE2      TYR  26  -2.257  -4.057  -1.410
  343    HH   TYR  26           HH       TYR  26  -5.244  -5.039  -3.165
  344    H    THR  27           H        THR  27  -5.619  -6.935   3.998
  345    HA   THR  27           HA       THR  27  -3.288  -8.284   2.669
  346    HB   THR  27           HB       THR  27  -3.907 -10.257   4.074
  347    HG1  THR  27           HG1      THR  27  -5.978  -9.542   4.698
  348   HG21  THR  27          1HG2      THR  27  -3.038  -7.705   5.514
  349   HG22  THR  27          2HG2      THR  27  -2.747  -9.369   6.061
  350   HG23  THR  27          3HG2      THR  27  -1.984  -8.774   4.576
  351    HA   PRO  28           HA       PRO  28  -6.879  -9.008  -0.082
  352    HB2  PRO  28           2HB      PRO  28  -5.560  -9.049  -2.472
  353    HB3  PRO  28           3HB      PRO  28  -5.951  -7.525  -1.609
  354    HG2  PRO  28           2HG      PRO  28  -3.341  -9.081  -1.572
  355    HG3  PRO  28           3HG      PRO  28  -3.572  -7.328  -1.853
  356    HD2  PRO  28           2HD      PRO  28  -2.911  -8.318   0.587
  357    HD3  PRO  28           3HD      PRO  28  -4.028  -6.928   0.430
  358    H    LYS  29           H        LYS  29  -7.519 -10.796  -1.430
  359    HA   LYS  29           HA       LYS  29  -6.243 -13.361  -0.842
  360    HB2  LYS  29           2HB      LYS  29  -8.636 -12.478  -2.490
  361    HB3  LYS  29           3HB      LYS  29  -8.011 -14.132  -2.587
  362    HG2  LYS  29           2HG      LYS  29  -8.210 -14.422  -0.180
  363    HG3  LYS  29           3HG      LYS  29  -8.856 -12.784   0.006
  364    HD2  LYS  29           2HD      LYS  29 -10.166 -15.038  -1.584
  365    HD3  LYS  29           3HD      LYS  29 -10.614 -14.545   0.056
  366    HE2  LYS  29           2HE      LYS  29 -11.178 -12.264  -0.788
  367    HE3  LYS  29           3HE      LYS  29 -10.780 -12.780  -2.432
  368    HZ1  LYS  29           HZ1      LYS  29 -13.158 -12.932  -2.014
  369    HZ2  LYS  29           HZ2      LYS  29 -12.561 -14.430  -2.277
  370    HZ3  LYS  29           HZ3      LYS  29 -12.933 -13.950  -0.758
  371    H    THR  30           H        THR  30  -4.813 -14.420  -1.940
  372    HA   THR  30           HA       THR  30  -4.426 -13.977  -4.840
  373    HB   THR  30           HB       THR  30  -2.094 -14.324  -2.904
  374    HG1  THR  30           HG1      THR  30  -2.941 -12.268  -2.724
  375   HG21  THR  30          1HG2      THR  30  -2.189 -13.729  -5.899
  376   HG22  THR  30          2HG2      THR  30  -0.723 -13.723  -4.892
  377   HG23  THR  30          3HG2      THR  30  -1.610 -15.232  -5.144
  Start of MODEL   29
    1    H1   GLY   1           1H       GLY   1 -10.765   4.527   1.418
    2    H2   GLY   1           2H       GLY   1 -11.852   3.385   1.865
    3    H3   GLY   1           3H       GLY   1 -11.498   3.608   0.279
    4    HA2  GLY   1           HA2      GLY   1  -9.617   2.619   2.325
    5    HA3  GLY   1           HA3      GLY   1 -10.424   1.612   1.108
    6    H    ILE   2           H        ILE   2  -7.620   1.780   1.414
    7    HA   ILE   2           HA       ILE   2  -6.223   3.722   0.008
    8    HB   ILE   2           HB       ILE   2  -5.315   1.999   1.547
    9   HG12  ILE   2          2HG1      ILE   2  -3.857   2.261  -1.104
   10   HG13  ILE   2          3HG1      ILE   2  -3.869   3.442   0.203
   11   HG21  ILE   2          1HG2      ILE   2  -6.415  -0.024   0.506
   12   HG22  ILE   2          2HG2      ILE   2  -5.239   0.087  -0.825
   13   HG23  ILE   2          3HG2      ILE   2  -4.697  -0.214   0.834
   14   HD11  ILE   2          3HD1      ILE   2  -2.871   1.591   1.688
   15   HD12  ILE   2          1HD1      ILE   2  -2.607   0.686   0.184
   16   HD13  ILE   2          2HD1      ILE   2  -1.829   2.259   0.419
   17    H    VAL   3           H        VAL   3  -7.719   0.908  -1.447
   18    HA   VAL   3           HA       VAL   3  -6.514   0.987  -4.011
   19    HB   VAL   3           HB       VAL   3  -9.277   0.010  -3.179
   20   HG11  VAL   3          1HG1      VAL   3  -7.736  -0.658  -5.729
   21   HG12  VAL   3          2HG1      VAL   3  -9.190  -1.497  -5.158
   22   HG13  VAL   3          3HG1      VAL   3  -9.297   0.195  -5.628
   23   HG21  VAL   3          3HG2      VAL   3  -7.452  -1.129  -1.978
   24   HG22  VAL   3          1HG2      VAL   3  -8.181  -2.228  -3.147
   25   HG23  VAL   3          2HG2      VAL   3  -6.621  -1.460  -3.513
   26    H    GLU   4           H        GLU   4  -8.932   3.131  -2.650
   27    HA   GLU   4           HA       GLU   4 -10.020   4.125  -5.128
   28    HB2  GLU   4           2HB      GLU   4 -10.975   4.226  -2.726
   29    HB3  GLU   4           3HB      GLU   4  -9.873   5.573  -2.462
   30    HG2  GLU   4           2HG      GLU   4 -12.068   6.415  -2.973
   31    HG3  GLU   4           3HG      GLU   4 -11.012   6.826  -4.311
   32    H    GLN   5           H        GLN   5  -6.922   4.613  -3.625
   33    HA   GLN   5           HA       GLN   5  -6.395   6.890  -5.496
   34    HB2  GLN   5           2HB      GLN   5  -5.001   7.976  -3.800
   35    HB3  GLN   5           3HB      GLN   5  -6.710   7.955  -3.389
   36    HG2  GLN   5           2HG      GLN   5  -6.358   6.204  -1.717
   37    HG3  GLN   5           3HG      GLN   5  -4.666   6.034  -2.189
   38   HE21  GLN   5          2HE2      GLN   5  -3.116   7.595  -1.458
   39   HE22  GLN   5          1HE2      GLN   5  -3.560   8.847  -0.301
   40    H    CYS   6           H        CYS   6  -4.759   4.258  -3.564
   41    HA   CYS   6           HA       CYS   6  -2.293   4.881  -5.012
   42    HB2  CYS   6           2HB      CYS   6  -2.931   2.598  -3.132
   43    HB3  CYS   6           3HB      CYS   6  -1.336   3.018  -3.757
   44    H    CYS   7           H        CYS   7  -4.791   2.407  -5.418
   45    HA   CYS   7           HA       CYS   7  -3.367   1.188  -7.743
   46    HB2  CYS   7           2HB      CYS   7  -5.948   0.629  -6.312
   47    HB3  CYS   7           3HB      CYS   7  -5.619  -0.027  -7.911
   48    H    THR   8           H        THR   8  -4.973   3.473 -10.050
   49    HA   THR   8           HA       THR   8  -2.380   2.345  -9.030
   50    HB   THR   8           HB       THR   8  -3.391   2.457 -11.886
   51    HG1  THR   8           HG1      THR   8  -3.360   0.208 -11.644
   52   HG21  THR   8          1HG2      THR   8  -0.957   2.822 -11.794
   53   HG22  THR   8          2HG2      THR   8  -0.762   1.434 -10.699
   54   HG23  THR   8          3HG2      THR   8  -1.294   1.188 -12.376
   55    H    SER   9           H        SER   9  -1.374   4.021  -8.268
   56    HA   SER   9           HA       SER   9  -0.740   6.353  -9.919
   57    HB2  SER   9           2HB      SER   9  -3.083   6.747  -8.835
   58    HB3  SER   9           3HB      SER   9  -2.174   6.897  -7.323
   59    HG   SER   9           HG       SER   9  -2.487   8.924  -8.462
   60    H    ILE  10           H        ILE  10   0.392   8.026  -8.291
   61    HA   ILE  10           HA       ILE  10   2.610   6.571  -7.007
   62    HB   ILE  10           HB       ILE  10   2.090   9.565  -6.955
   63   HG12  ILE  10          2HG1      ILE  10   2.231   8.975  -9.306
   64   HG13  ILE  10          3HG1      ILE  10   3.653   9.859  -8.785
   65   HG21  ILE  10          1HG2      ILE  10   4.589   9.623  -6.570
   66   HG22  ILE  10          2HG2      ILE  10   3.669   8.885  -5.259
   67   HG23  ILE  10          3HG2      ILE  10   4.552   7.851  -6.394
   68   HD11  ILE  10          3HD1      ILE  10   4.291   8.062 -10.294
   69   HD12  ILE  10          1HD1      ILE  10   4.944   7.723  -8.682
   70   HD13  ILE  10          2HD1      ILE  10   3.490   6.863  -9.268
   71    H    CYS  11           H        CYS  11   2.611   5.918  -4.962
   72    HA   CYS  11           HA       CYS  11   1.390   7.649  -2.888
   73    HB2  CYS  11           2HB      CYS  11   0.951   4.672  -3.173
   74    HB3  CYS  11           3HB      CYS  11   0.953   5.441  -1.585
   75    H    SER  12           H        SER  12   2.477   7.700  -0.941
   76    HA   SER  12           HA       SER  12   5.317   6.745  -0.941
   77    HB2  SER  12           2HB      SER  12   4.280   9.575  -0.528
   78    HB3  SER  12           3HB      SER  12   5.956   9.066  -0.293
   79    HG   SER  12           HG       SER  12   5.535  10.038  -2.379
   80    H    LEU  13           H        LEU  13   6.372   7.148   1.182
   81    HA   LEU  13           HA       LEU  13   5.205   5.713   3.148
   82    HB2  LEU  13           2HB      LEU  13   6.985   6.470   4.617
   83    HB3  LEU  13           3HB      LEU  13   7.547   6.155   2.986
   84    HG   LEU  13           HG       LEU  13   7.119   8.873   2.825
   85   HD11  LEU  13          1HD1      LEU  13   8.191   8.384   5.643
   86   HD12  LEU  13          2HD1      LEU  13   8.002   9.950   4.823
   87   HD13  LEU  13          3HD1      LEU  13   6.577   9.016   5.291
   88   HD21  LEU  13          3HD2      LEU  13   9.144   7.684   2.108
   89   HD22  LEU  13          1HD2      LEU  13   9.559   9.103   3.080
   90   HD23  LEU  13          2HD2      LEU  13   9.646   7.480   3.801
   91    H    TYR  14           H        TYR  14   4.993   9.274   3.143
   92    HA   TYR  14           HA       TYR  14   3.686   9.397   5.707
   93    HB2  TYR  14           2HB      TYR  14   3.229  11.788   4.914
   94    HB3  TYR  14           3HB      TYR  14   4.920  11.286   4.968
   95    HD1  TYR  14           HD1      TYR  14   2.044  11.919   2.681
   96    HD2  TYR  14           HD2      TYR  14   6.288  11.250   3.006
   97    HE1  TYR  14           HE1      TYR  14   2.289  12.362   0.250
   98    HE2  TYR  14           HE2      TYR  14   6.559  11.736   0.592
   99    HH   TYR  14           HH       TYR  14   3.765  12.589  -1.514
  100    H    GLN  15           H        GLN  15   2.437   8.758   2.551
  101    HA   GLN  15           HA       GLN  15  -0.411   9.203   3.378
  102    HB2  GLN  15           2HB      GLN  15   1.032   8.581   0.773
  103    HB3  GLN  15           3HB      GLN  15  -0.663   8.163   0.940
  104    HG2  GLN  15           2HG      GLN  15   0.408  10.974   1.371
  105    HG3  GLN  15           3HG      GLN  15  -0.237  10.377  -0.152
  106   HE21  GLN  15          2HE2      GLN  15  -1.124  11.876   2.839
  107   HE22  GLN  15          1HE2      GLN  15  -2.853  11.640   2.655
  108    H    LEU  16           H        LEU  16   1.861   6.589   2.422
  109    HA   LEU  16           HA       LEU  16   0.058   4.425   2.746
  110    HB2  LEU  16           2HB      LEU  16   3.055   4.764   2.824
  111    HB3  LEU  16           3HB      LEU  16   2.337   3.169   2.961
  112    HG   LEU  16           HG       LEU  16   1.969   5.044   0.578
  113   HD11  LEU  16          1HD1      LEU  16   4.278   4.267   0.763
  114   HD12  LEU  16          2HD1      LEU  16   3.736   2.583   0.959
  115   HD13  LEU  16          3HD1      LEU  16   3.482   3.438  -0.582
  116   HD21  LEU  16          3HD2      LEU  16   1.230   2.106   0.910
  117   HD22  LEU  16          1HD2      LEU  16   0.075   3.456   0.842
  118   HD23  LEU  16          2HD2      LEU  16   1.065   3.066  -0.573
  119    H    GLU  17           H        GLU  17   2.112   6.037   5.157
  120    HA   GLU  17           HA       GLU  17   1.922   4.175   7.237
  121    HB2  GLU  17           2HB      GLU  17   3.351   6.204   7.135
  122    HB3  GLU  17           3HB      GLU  17   1.942   7.217   7.464
  123    HG2  GLU  17           2HG      GLU  17   1.672   6.173   9.655
  124    HG3  GLU  17           3HG      GLU  17   2.927   4.983   9.288
  125    H    ASN  18           H        ASN  18  -0.554   6.396   6.094
  126    HA   ASN  18           HA       ASN  18  -2.295   6.328   8.375
  127    HB2  ASN  18           2HB      ASN  18  -2.925   6.729   5.422
  128    HB3  ASN  18           3HB      ASN  18  -4.048   7.017   6.728
  129   HD21  ASN  18          2HD2      ASN  18  -1.362   8.279   5.005
  130   HD22  ASN  18          1HD2      ASN  18  -1.166   9.777   5.919
  131    H    TYR  19           H        TYR  19  -1.572   3.829   6.090
  132    HA   TYR  19           HA       TYR  19  -3.951   2.243   6.950
  133    HB2  TYR  19           2HB      TYR  19  -2.146   1.562   4.643
  134    HB3  TYR  19           3HB      TYR  19  -3.779   1.002   4.957
  135    HD1  TYR  19           HD2      TYR  19  -5.725   2.707   4.673
  136    HD2  TYR  19           HD1      TYR  19  -1.694   3.490   3.415
  137    HE1  TYR  19           HE2      TYR  19  -6.532   4.585   3.249
  138    HE2  TYR  19           HE1      TYR  19  -2.459   5.377   2.008
  139    HH   TYR  19           HH       TYR  19  -5.949   6.278   1.805
  140    H    CYS  20           H        CYS  20  -1.000   2.765   8.093
  141    HA   CYS  20           HA       CYS  20  -0.009   0.050   8.479
  142    HB2  CYS  20           2HB      CYS  20   1.463   2.016   8.498
  143    HB3  CYS  20           3HB      CYS  20   0.649   2.619   9.939
  144    H    ASN  21           H        ASN  21  -0.272  -1.252  10.347
  145    HA   ASN  21           HA       ASN  21  -2.934  -1.183  11.289
  146    HB2  ASN  21           2HB      ASN  21  -2.598  -3.253  12.211
  147    HB3  ASN  21           3HB      ASN  21  -1.576  -3.194  10.788
  148   HD21  ASN  21          1HD2      ASN  21  -0.759  -5.141  11.994
  149   HD22  ASN  21          2HD2      ASN  21   0.469  -4.864  13.224
  150    H1   PHE   1           H        PHE   1  12.083   0.934  -0.824
  151    HA   PHE   1           HA       PHE   1  11.409   0.330  -3.504
  152    HB2  PHE   1           2HB      PHE   1   9.092   0.471  -3.639
  153    HB3  PHE   1           3HB      PHE   1   9.390  -0.629  -2.314
  154    HD1  PHE   1           HD1      PHE   1   9.509   0.543   0.088
  155    HD2  PHE   1           HD2      PHE   1   7.551   2.204  -3.357
  156    HE1  PHE   1           HE1      PHE   1   8.093   1.935   1.580
  157    HE2  PHE   1           HE2      PHE   1   6.122   3.605  -1.874
  158    HZ   PHE   1           HZ       PHE   1   6.391   3.460   0.598
  159    H    VAL   2           H        VAL   2  10.333   2.234  -4.604
  160    HA   VAL   2           HA       VAL   2  10.943   4.900  -3.415
  161    HB   VAL   2           HB       VAL   2  11.728   4.039  -6.236
  162   HG11  VAL   2          1HG1      VAL   2  12.887   6.265  -6.333
  163   HG12  VAL   2          2HG1      VAL   2  11.136   6.403  -6.237
  164   HG13  VAL   2          3HG1      VAL   2  12.124   6.695  -4.786
  165   HG21  VAL   2          3HG2      VAL   2  14.086   4.408  -5.507
  166   HG22  VAL   2          1HG2      VAL   2  13.520   4.662  -3.841
  167   HG23  VAL   2          2HG2      VAL   2  13.330   3.079  -4.631
  168    H    ASN   3           H        ASN   3   9.543   6.544  -4.196
  169    HA   ASN   3           HA       ASN   3   6.901   5.889  -4.770
  170    HB2  ASN   3           2HB      ASN   3   6.574   8.246  -5.275
  171    HB3  ASN   3           3HB      ASN   3   7.541   8.011  -3.840
  172   HD21  ASN   3          2HD2      ASN   3   7.433   9.512  -6.977
  173   HD22  ASN   3          1HD2      ASN   3   9.065  10.150  -6.936
  174    H    GLN   4           H        GLN   4   5.784   5.248  -6.421
  175    HA   GLN   4           HA       GLN   4   6.253   5.752  -9.212
  176    HB2  GLN   4           2HB      GLN   4   6.936   3.565  -9.915
  177    HB3  GLN   4           3HB      GLN   4   8.102   4.112  -8.724
  178    HG2  GLN   4           2HG      GLN   4   6.778   2.729  -6.988
  179    HG3  GLN   4           3HG      GLN   4   5.880   2.052  -8.349
  180   HE21  GLN   4          1HE2      GLN   4   9.174   2.440  -6.998
  181   HE22  GLN   4          2HE2      GLN   4   9.842   1.017  -7.808
  182    H    HIS   5           H        HIS   5   4.713   4.120 -10.481
  183    HA   HIS   5           HA       HIS   5   2.104   4.352  -9.253
  184    HB2  HIS   5           2HB      HIS   5   3.047   3.139 -11.866
  185    HB3  HIS   5           3HB      HIS   5   1.358   3.263 -11.373
  186    HD2  HIS   5           HD2      HIS   5   4.024   5.255 -13.078
  187    HE1  HIS   5           HE1      HIS   5   1.076   8.123 -11.969
  188    HE2  HIS   5           HE2      HIS   5   3.177   7.730 -13.366
  189    H    LEU   6           H        LEU   6   1.763   3.119  -7.505
  190    HA   LEU   6           HA       LEU   6   2.540   0.268  -7.391
  191    HB2  LEU   6           2HB      LEU   6   0.992   1.995  -5.411
  192    HB3  LEU   6           3HB      LEU   6   1.627   0.386  -5.098
  193    HG   LEU   6           HG       LEU   6   3.275   2.905  -5.555
  194   HD11  LEU   6          1HD1      LEU   6   3.869   2.609  -3.179
  195   HD12  LEU   6          2HD1      LEU   6   2.119   2.800  -3.383
  196   HD13  LEU   6          3HD1      LEU   6   2.798   1.191  -3.088
  197   HD21  LEU   6          3HD2      LEU   6   4.506   0.948  -6.428
  198   HD22  LEU   6          1HD2      LEU   6   5.231   1.525  -4.922
  199   HD23  LEU   6          2HD2      LEU   6   4.202   0.078  -4.902
  200    H    CYS   7           H        CYS   7   1.055  -1.417  -6.905
  201    HA   CYS   7           HA       CYS   7  -1.598  -1.077  -6.170
  202    HB2  CYS   7           2HB      CYS   7  -2.059  -0.554  -8.586
  203    HB3  CYS   7           3HB      CYS   7  -1.518  -2.174  -8.996
  204    H    GLY   8           H        GLY   8  -2.652  -3.232  -5.749
  205    HA2  GLY   8           HA2      GLY   8  -2.627  -5.456  -5.048
  206    HA3  GLY   8           HA3      GLY   8  -1.657  -5.697  -6.501
  207    H    SER   9           H        SER   9  -0.016  -6.991  -6.012
  208    HA   SER   9           HA       SER   9   1.260  -7.425  -3.561
  209    HB2  SER   9           2HB      SER   9   2.515  -7.568  -6.327
  210    HB3  SER   9           3HB      SER   9   3.062  -8.410  -4.866
  211    HG   SER   9           HG       SER   9   1.774  -9.769  -6.225
  212    H    HIS  10           H        HIS  10   2.286  -5.041  -6.109
  213    HA   HIS  10           HA       HIS  10   4.578  -4.107  -4.715
  214    HB2  HIS  10           2HB      HIS  10   3.320  -3.560  -7.164
  215    HB3  HIS  10           3HB      HIS  10   3.190  -2.033  -6.295
  216    HD2  HIS  10           HD2      HIS  10   5.657  -4.461  -7.796
  217    HE1  HIS  10           HE1      HIS  10   8.006  -1.134  -6.553
  218    HE2  HIS  10           HE2      HIS  10   8.051  -3.325  -7.860
  219    H    LEU  11           H        LEU  11   1.184  -3.194  -4.399
  220    HA   LEU  11           HA       LEU  11   1.701  -0.943  -2.617
  221    HB2  LEU  11           2HB      LEU  11  -0.249  -1.120  -4.148
  222    HB3  LEU  11           3HB      LEU  11  -0.872  -2.471  -3.205
  223    HG   LEU  11           HG       LEU  11  -1.198  -0.997  -1.258
  224   HD11  LEU  11          1HD1      LEU  11  -0.018   1.156  -3.077
  225   HD12  LEU  11          2HD1      LEU  11  -0.929   1.507  -1.600
  226   HD13  LEU  11          3HD1      LEU  11   0.596   0.631  -1.492
  227   HD21  LEU  11          3HD2      LEU  11  -3.025   0.343  -2.217
  228   HD22  LEU  11          1HD2      LEU  11  -2.326   0.188  -3.842
  229   HD23  LEU  11          2HD2      LEU  11  -2.969  -1.237  -3.002
  230    H    VAL  12           H        VAL  12   0.830  -4.380  -2.143
  231    HA   VAL  12           HA       VAL  12   0.813  -4.297   0.741
  232    HB   VAL  12           HB       VAL  12   1.505  -6.555  -1.203
  233   HG11  VAL  12          1HG1      VAL  12   1.146  -6.819   1.809
  234   HG12  VAL  12          2HG1      VAL  12   1.211  -8.162   0.655
  235   HG13  VAL  12          3HG1      VAL  12   2.628  -7.146   0.887
  236   HG21  VAL  12          3HG2      VAL  12  -0.682  -7.468  -0.579
  237   HG22  VAL  12          1HG2      VAL  12  -0.990  -6.066   0.468
  238   HG23  VAL  12          2HG2      VAL  12  -0.843  -5.864  -1.288
  239    H    GLU  13           H        GLU  13   3.479  -4.889  -1.562
  240    HA   GLU  13           HA       GLU  13   5.579  -5.269   0.317
  241    HB2  GLU  13           2HB      GLU  13   5.588  -4.129  -2.512
  242    HB3  GLU  13           3HB      GLU  13   7.050  -4.491  -1.606
  243    HG2  GLU  13           2HG      GLU  13   4.963  -6.647  -2.066
  244    HG3  GLU  13           3HG      GLU  13   6.096  -6.200  -3.326
  245    H    ALA  14           H        ALA  14   4.453  -2.248  -1.295
  246    HA   ALA  14           HA       ALA  14   6.276  -0.473  -0.034
  247    HB1  ALA  14           3HB      ALA  14   4.914   0.062  -2.035
  248    HB2  ALA  14           1HB      ALA  14   3.434   0.010  -1.040
  249    HB3  ALA  14           2HB      ALA  14   4.666   1.250  -0.748
  250    H    LEU  15           H        LEU  15   2.885  -1.305   0.916
  251    HA   LEU  15           HA       LEU  15   2.842   0.216   3.305
  252    HB2  LEU  15           2HB      LEU  15   1.401  -2.309   2.436
  253    HB3  LEU  15           3HB      LEU  15   1.123  -1.568   4.020
  254    HG   LEU  15           HG       LEU  15   0.636  -0.148   1.398
  255   HD11  LEU  15          1HD1      LEU  15  -1.754  -0.594   1.902
  256   HD12  LEU  15          2HD1      LEU  15  -0.833  -2.092   1.727
  257   HD13  LEU  15          3HD1      LEU  15  -1.282  -1.510   3.344
  258   HD21  LEU  15          3HD2      LEU  15  -0.629   1.439   2.826
  259   HD22  LEU  15          1HD2      LEU  15  -0.122   0.538   4.280
  260   HD23  LEU  15          2HD2      LEU  15   1.068   1.399   3.295
  261    H    TYR  16           H        TYR  16   3.959  -3.153   2.817
  262    HA   TYR  16           HA       TYR  16   4.617  -3.670   5.562
  263    HB2  TYR  16           2HB      TYR  16   4.415  -5.482   4.019
  264    HB3  TYR  16           3HB      TYR  16   5.580  -4.778   2.907
  265    HD1  TYR  16           HD1      TYR  16   5.251  -6.305   6.308
  266    HD2  TYR  16           HD2      TYR  16   7.903  -5.204   3.091
  267    HE1  TYR  16           HE1      TYR  16   7.117  -7.486   7.447
  268    HE2  TYR  16           HE2      TYR  16   9.786  -6.336   4.245
  269    HH   TYR  16           HH       TYR  16  10.445  -7.564   6.091
  270    H    LEU  17           H        LEU  17   6.618  -2.283   2.890
  271    HA   LEU  17           HA       LEU  17   8.980  -2.033   4.537
  272    HB2  LEU  17           2HB      LEU  17   8.120  -0.848   1.883
  273    HB3  LEU  17           3HB      LEU  17   9.689  -0.494   2.597
  274    HG   LEU  17           HG       LEU  17   8.727  -3.328   1.993
  275   HD11  LEU  17          1HD1      LEU  17  10.593  -1.569   0.367
  276   HD12  LEU  17          2HD1      LEU  17  10.154  -3.253   0.016
  277   HD13  LEU  17          3HD1      LEU  17   8.920  -1.987  -0.078
  278   HD21  LEU  17          3HD2      LEU  17  10.495  -3.310   3.694
  279   HD22  LEU  17          1HD2      LEU  17  11.143  -3.896   2.164
  280   HD23  LEU  17          2HD2      LEU  17  11.488  -2.234   2.684
  281    H    VAL  18           H        VAL  18   6.310   0.213   3.915
  282    HA   VAL  18           HA       VAL  18   7.473   2.406   5.439
  283    HB   VAL  18           HB       VAL  18   4.597   1.786   4.667
  284   HG11  VAL  18          1HG1      VAL  18   4.489   3.277   6.624
  285   HG12  VAL  18          2HG1      VAL  18   5.712   4.350   5.902
  286   HG13  VAL  18          3HG1      VAL  18   4.109   4.178   5.159
  287   HG21  VAL  18          3HG2      VAL  18   6.178   2.264   2.811
  288   HG22  VAL  18          1HG2      VAL  18   4.959   3.512   2.985
  289   HG23  VAL  18          2HG2      VAL  18   6.615   3.796   3.579
  290    H    CYS  19           H        CYS  19   4.922   0.027   6.242
  291    HA   CYS  19           HA       CYS  19   4.561   0.980   8.924
  292    HB2  CYS  19           2HB      CYS  19   2.884  -0.115   7.407
  293    HB3  CYS  19           3HB      CYS  19   3.698  -1.650   7.671
  294    H    GLY  20           H        GLY  20   6.599  -1.631   7.678
  295    HA2  GLY  20           HA2      GLY  20   8.555  -2.381   8.872
  296    HA3  GLY  20           HA3      GLY  20   7.721  -2.124  10.415
  297    H    GLU  21           H        GLU  21   8.364  -4.282  10.955
  298    HA   GLU  21           HA       GLU  21   7.569  -6.594   9.443
  299    HB2  GLU  21           2HB      GLU  21   8.255  -7.883  11.365
  300    HB3  GLU  21           3HB      GLU  21   9.475  -6.720  10.881
  301    HG2  GLU  21           2HG      GLU  21   7.534  -5.975  13.072
  302    HG3  GLU  21           3HG      GLU  21   8.819  -7.125  13.421
  303    H    ARG  22           H        ARG  22   5.772  -4.577  11.519
  304    HA   ARG  22           HA       ARG  22   3.655  -6.407  12.292
  305    HB2  ARG  22           2HB      ARG  22   2.410  -4.242  12.718
  306    HB3  ARG  22           3HB      ARG  22   3.837  -4.598  13.695
  307    HG2  ARG  22           2HG      ARG  22   5.196  -3.026  12.387
  308    HG3  ARG  22           3HG      ARG  22   3.831  -2.722  11.296
  309    HD2  ARG  22           2HD      ARG  22   2.525  -1.836  13.183
  310    HD3  ARG  22           3HD      ARG  22   3.873  -2.175  14.289
  311    HE   ARG  22           HE       ARG  22   4.810  -0.586  12.115
  312   HH11  ARG  22          1HH1      ARG  22   2.734  -0.138  14.948
  313   HH12  ARG  22          2HH1      ARG  22   3.101   1.559  15.058
  314   HH21  ARG  22          1HH2      ARG  22   5.257   1.562  12.319
  315   HH22  ARG  22          2HH2      ARG  22   4.518   2.520  13.571
  316    H    GLY  23           H        GLY  23   1.883  -6.999  11.214
  317    HA2  GLY  23           HA2      GLY  23   1.781  -6.579   8.334
  318    HA3  GLY  23           HA3      GLY  23   0.723  -7.625   9.298
  319    H    HIS  24           H        HIS  24   0.802  -4.942   7.383
  320    HA   HIS  24           HA       HIS  24  -1.292  -3.300   8.489
  321    HB2  HIS  24           2HB      HIS  24  -1.364  -2.355   6.201
  322    HB3  HIS  24           3HB      HIS  24   0.258  -2.422   6.875
  323    HD2  HIS  24           HD2      HIS  24   2.072  -3.631   5.493
  324    HE1  HIS  24           HE1      HIS  24  -0.375  -5.294   2.451
  325    HE2  HIS  24           HE2      HIS  24   2.020  -4.920   3.207
  326    H    PHE  25           H        PHE  25  -3.423  -2.966   7.527
  327    HA   PHE  25           HA       PHE  25  -4.856  -5.516   7.484
  328    HB2  PHE  25           2HB      PHE  25  -6.832  -4.107   7.824
  329    HB3  PHE  25           3HB      PHE  25  -5.570  -3.804   8.994
  330    HD1  PHE  25           HD2      PHE  25  -7.098  -2.442   5.836
  331    HD2  PHE  25           HD1      PHE  25  -4.774  -1.593   9.372
  332    HE1  PHE  25           HE2      PHE  25  -7.264  -0.014   5.367
  333    HE2  PHE  25           HE1      PHE  25  -4.970   0.835   8.913
  334    HZ   PHE  25           HZ       PHE  25  -6.229   1.631   6.918
  335    H    TYR  26           H        TYR  26  -3.705  -3.541   4.941
  336    HA   TYR  26           HA       TYR  26  -5.945  -3.560   3.180
  337    HB2  TYR  26           2HB      TYR  26  -4.193  -2.033   2.742
  338    HB3  TYR  26           3HB      TYR  26  -2.965  -3.290   2.805
  339    HD1  TYR  26           HD2      TYR  26  -6.158  -2.869   0.808
  340    HD2  TYR  26           HD1      TYR  26  -1.922  -3.673   0.768
  341    HE1  TYR  26           HE2      TYR  26  -6.256  -3.323  -1.632
  342    HE2  TYR  26           HE1      TYR  26  -1.992  -3.955  -1.683
  343    HH   TYR  26           HH       TYR  26  -3.310  -4.053  -3.547
  344    H    THR  27           H        THR  27  -3.395  -5.959   3.617
  345    HA   THR  27           HA       THR  27  -2.873  -7.337   1.539
  346    HB   THR  27           HB       THR  27  -3.070  -9.535   2.731
  347    HG1  THR  27           HG1      THR  27  -4.911  -8.922   3.983
  348   HG21  THR  27          1HG2      THR  27  -1.082  -8.054   2.922
  349   HG22  THR  27          2HG2      THR  27  -1.839  -7.223   4.302
  350   HG23  THR  27          3HG2      THR  27  -1.409  -8.939   4.421
  351    HA   PRO  28           HA       PRO  28  -6.914  -7.632  -0.340
  352    HB2  PRO  28           2HB      PRO  28  -6.221  -7.916  -2.973
  353    HB3  PRO  28           3HB      PRO  28  -6.075  -6.373  -2.068
  354    HG2  PRO  28           2HG      PRO  28  -3.921  -8.440  -2.610
  355    HG3  PRO  28           3HG      PRO  28  -3.825  -6.663  -2.828
  356    HD2  PRO  28           2HD      PRO  28  -2.872  -7.897  -0.605
  357    HD3  PRO  28           3HD      PRO  28  -3.674  -6.298  -0.495
  358    H    LYS  29           H        LYS  29  -8.292  -9.137  -1.428
  359    HA   LYS  29           HA       LYS  29  -7.489 -11.970  -1.408
  360    HB2  LYS  29           2HB      LYS  29  -9.719 -12.479  -1.969
  361    HB3  LYS  29           3HB      LYS  29  -9.664 -11.387  -0.587
  362    HG2  LYS  29           2HG      LYS  29 -10.353  -9.486  -2.021
  363    HG3  LYS  29           3HG      LYS  29 -10.267 -10.520  -3.454
  364    HD2  LYS  29           2HD      LYS  29 -12.570 -10.421  -2.856
  365    HD3  LYS  29           3HD      LYS  29 -11.954 -12.030  -2.472
  366    HE2  LYS  29           2HE      LYS  29 -13.413 -11.366  -0.689
  367    HE3  LYS  29           3HE      LYS  29 -11.765 -11.377  -0.063
  368    HZ1  LYS  29           HZ1      LYS  29 -11.737  -8.948  -0.311
  369    HZ2  LYS  29           HZ2      LYS  29 -13.256  -8.953  -0.922
  370    HZ3  LYS  29           HZ3      LYS  29 -12.995  -9.398   0.626
  371    H    THR  30           H        THR  30  -7.237 -13.276  -3.132
  372    HA   THR  30           HA       THR  30  -6.076 -12.339  -5.539
  373    HB   THR  30           HB       THR  30  -7.310 -15.076  -5.064
  374    HG1  THR  30           HG1      THR  30  -5.285 -15.584  -4.207
  375   HG21  THR  30          1HG2      THR  30  -6.538 -14.731  -7.388
  376   HG22  THR  30          2HG2      THR  30  -4.967 -14.149  -6.795
  377   HG23  THR  30          3HG2      THR  30  -5.456 -15.839  -6.539
  Start of MODEL   30
    1    H1   GLY   1           1H       GLY   1 -11.594   1.897   2.267
    2    H2   GLY   1           2H       GLY   1 -10.434   2.927   2.799
    3    H3   GLY   1           3H       GLY   1 -10.171   1.312   2.832
    4    HA2  GLY   1           HA2      GLY   1 -10.213   1.186   0.430
    5    HA3  GLY   1           HA3      GLY   1 -10.520   2.930   0.391
    6    H    ILE   2           H        ILE   2  -8.453   1.882  -0.968
    7    HA   ILE   2           HA       ILE   2  -6.203   3.427  -0.208
    8    HB   ILE   2           HB       ILE   2  -5.749   1.789   1.533
    9   HG12  ILE   2          2HG1      ILE   2  -3.747   1.692  -0.754
   10   HG13  ILE   2          3HG1      ILE   2  -3.905   2.953   0.465
   11   HG21  ILE   2          1HG2      ILE   2  -5.284  -0.512   1.212
   12   HG22  ILE   2          2HG2      ILE   2  -6.816  -0.231   0.399
   13   HG23  ILE   2          3HG2      ILE   2  -5.314  -0.379  -0.549
   14   HD11  ILE   2          3HD1      ILE   2  -2.977   0.090   0.836
   15   HD12  ILE   2          1HD1      ILE   2  -2.084   1.589   1.150
   16   HD13  ILE   2          2HD1      ILE   2  -3.429   1.123   2.211
   17    H    VAL   3           H        VAL   3  -7.027   0.425  -1.957
   18    HA   VAL   3           HA       VAL   3  -5.107   0.735  -4.040
   19    HB   VAL   3           HB       VAL   3  -7.781  -0.701  -4.310
   20   HG11  VAL   3          1HG1      VAL   3  -6.516  -0.575  -6.420
   21   HG12  VAL   3          2HG1      VAL   3  -5.055  -1.184  -5.602
   22   HG13  VAL   3          3HG1      VAL   3  -6.479  -2.225  -5.797
   23   HG21  VAL   3          3HG2      VAL   3  -6.789  -1.526  -2.242
   24   HG22  VAL   3          1HG2      VAL   3  -6.585  -2.743  -3.498
   25   HG23  VAL   3          2HG2      VAL   3  -5.208  -1.718  -3.036
   26    H    GLU   4           H        GLU   4  -8.371   1.980  -3.632
   27    HA   GLU   4           HA       GLU   4  -8.916   3.022  -6.201
   28    HB2  GLU   4           2HB      GLU   4  -9.750   4.257  -3.544
   29    HB3  GLU   4           3HB      GLU   4 -10.557   4.376  -5.100
   30    HG2  GLU   4           2HG      GLU   4 -11.905   2.796  -4.232
   31    HG3  GLU   4           3HG      GLU   4 -10.678   1.684  -4.821
   32    H    GLN   5           H        GLN   5  -6.595   4.128  -3.843
   33    HA   GLN   5           HA       GLN   5  -6.143   6.666  -5.376
   34    HB2  GLN   5           2HB      GLN   5  -6.551   6.864  -2.889
   35    HB3  GLN   5           3HB      GLN   5  -5.135   5.853  -2.608
   36    HG2  GLN   5           2HG      GLN   5  -4.479   8.146  -2.328
   37    HG3  GLN   5           3HG      GLN   5  -3.721   7.569  -3.806
   38   HE21  GLN   5          2HE2      GLN   5  -6.426   9.585  -2.525
   39   HE22  GLN   5          1HE2      GLN   5  -6.620  10.504  -4.010
   40    H    CYS   6           H        CYS   6  -4.332   3.943  -3.773
   41    HA   CYS   6           HA       CYS   6  -1.837   4.624  -4.929
   42    HB2  CYS   6           2HB      CYS   6  -2.987   2.085  -3.749
   43    HB3  CYS   6           3HB      CYS   6  -1.331   2.166  -4.334
   44    H    CYS   7           H        CYS   7  -4.383   2.587  -6.368
   45    HA   CYS   7           HA       CYS   7  -2.599   1.784  -8.588
   46    HB2  CYS   7           2HB      CYS   7  -4.562   0.452  -7.465
   47    HB3  CYS   7           3HB      CYS   7  -5.591   1.408  -8.525
   48    H    THR   8           H        THR   8  -4.480   4.513  -7.859
   49    HA   THR   8           HA       THR   8  -5.130   5.246 -10.674
   50    HB   THR   8           HB       THR   8  -5.984   6.490  -8.027
   51    HG1  THR   8           HG1      THR   8  -7.678   5.194  -8.120
   52   HG21  THR   8          1HG2      THR   8  -6.299   8.060  -9.887
   53   HG22  THR   8          2HG2      THR   8  -7.081   6.794 -10.862
   54   HG23  THR   8          3HG2      THR   8  -7.865   7.412  -9.389
   55    H    SER   9           H        SER   9  -3.261   6.329  -7.863
   56    HA   SER   9           HA       SER   9  -1.713   8.223  -9.531
   57    HB2  SER   9           2HB      SER   9  -3.703   9.369  -8.341
   58    HB3  SER   9           3HB      SER   9  -2.820   9.049  -6.839
   59    HG   SER   9           HG       SER   9  -2.348  11.138  -7.803
   60    H    ILE  10           H        ILE  10   0.025   9.235  -7.912
   61    HA   ILE  10           HA       ILE  10   1.736   7.032  -7.057
   62    HB   ILE  10           HB       ILE  10   2.021  10.013  -6.487
   63   HG12  ILE  10          2HG1      ILE  10   1.874   9.699  -8.921
   64   HG13  ILE  10          3HG1      ILE  10   3.458  10.236  -8.406
   65   HG21  ILE  10          1HG2      ILE  10   4.035   7.726  -6.370
   66   HG22  ILE  10          2HG2      ILE  10   4.476   9.447  -6.324
   67   HG23  ILE  10          3HG2      ILE  10   3.484   8.759  -5.040
   68   HD11  ILE  10          3HD1      ILE  10   2.773   7.355  -9.126
   69   HD12  ILE  10          1HD1      ILE  10   3.575   8.529 -10.186
   70   HD13  ILE  10          2HD1      ILE  10   4.386   8.000  -8.704
   71    H    CYS  11           H        CYS  11   1.945   6.098  -5.081
   72    HA   CYS  11           HA       CYS  11   1.170   7.719  -2.751
   73    HB2  CYS  11           2HB      CYS  11  -0.031   6.121  -1.611
   74    HB3  CYS  11           3HB      CYS  11  -0.708   6.186  -3.228
   75    H    SER  12           H        SER  12   2.636   7.951  -1.337
   76    HA   SER  12           HA       SER  12   5.089   6.223  -1.358
   77    HB2  SER  12           2HB      SER  12   4.628   9.180  -0.865
   78    HB3  SER  12           3HB      SER  12   6.199   8.389  -0.693
   79    HG   SER  12           HG       SER  12   5.606   9.457  -2.810
   80    H    LEU  13           H        LEU  13   6.440   6.607   0.706
   81    HA   LEU  13           HA       LEU  13   5.439   5.296   2.828
   82    HB2  LEU  13           2HB      LEU  13   7.252   6.342   4.181
   83    HB3  LEU  13           3HB      LEU  13   7.766   5.633   2.667
   84    HG   LEU  13           HG       LEU  13   7.175   8.570   2.554
   85   HD11  LEU  13          1HD1      LEU  13   9.620   7.520   4.024
   86   HD12  LEU  13          2HD1      LEU  13   9.317   9.207   3.545
   87   HD13  LEU  13          3HD1      LEU  13   8.271   8.431   4.744
   88   HD21  LEU  13          3HD2      LEU  13   8.097   7.344   0.589
   89   HD22  LEU  13          1HD2      LEU  13   9.192   8.607   1.162
   90   HD23  LEU  13          2HD2      LEU  13   9.522   6.905   1.550
   91    H    TYR  14           H        TYR  14   5.266   8.874   2.729
   92    HA   TYR  14           HA       TYR  14   4.077   9.112   5.347
   93    HB2  TYR  14           2HB      TYR  14   3.598  11.463   4.482
   94    HB3  TYR  14           3HB      TYR  14   5.288  10.951   4.526
   95    HD1  TYR  14           HD1      TYR  14   2.377  11.548   2.292
   96    HD2  TYR  14           HD2      TYR  14   6.624  10.882   2.539
   97    HE1  TYR  14           HE1      TYR  14   2.565  11.917  -0.153
   98    HE2  TYR  14           HE2      TYR  14   6.845  11.317   0.110
   99    HH   TYR  14           HH       TYR  14   4.000  12.091  -1.957
  100    H    GLN  15           H        GLN  15   2.655   8.449   2.239
  101    HA   GLN  15           HA       GLN  15  -0.156   9.001   3.120
  102    HB2  GLN  15           2HB      GLN  15   1.200   7.903   0.632
  103    HB3  GLN  15           3HB      GLN  15  -0.545   7.846   0.823
  104    HG2  GLN  15           2HG      GLN  15  -0.791  10.175   0.643
  105    HG3  GLN  15           3HG      GLN  15   0.912  10.480   0.969
  106   HE21  GLN  15          2HE2      GLN  15  -1.386   9.839  -1.609
  107   HE22  GLN  15          1HE2      GLN  15  -0.178   9.635  -2.875
  108    H    LEU  16           H        LEU  16   2.037   6.256   2.340
  109    HA   LEU  16           HA       LEU  16   0.236   4.148   2.884
  110    HB2  LEU  16           2HB      LEU  16   3.239   4.472   2.907
  111    HB3  LEU  16           3HB      LEU  16   2.511   2.907   3.189
  112    HG   LEU  16           HG       LEU  16   2.107   4.559   0.653
  113   HD11  LEU  16          1HD1      LEU  16   3.899   2.156   1.244
  114   HD12  LEU  16          2HD1      LEU  16   3.643   2.889  -0.358
  115   HD13  LEU  16          3HD1      LEU  16   4.429   3.824   0.919
  116   HD21  LEU  16          3HD2      LEU  16   1.411   1.653   1.246
  117   HD22  LEU  16          1HD2      LEU  16   0.228   2.971   1.080
  118   HD23  LEU  16          2HD2      LEU  16   1.214   2.486  -0.305
  119    H    GLU  17           H        GLU  17   2.366   5.922   5.116
  120    HA   GLU  17           HA       GLU  17   2.168   4.260   7.346
  121    HB2  GLU  17           2HB      GLU  17   3.575   6.340   6.996
  122    HB3  GLU  17           3HB      GLU  17   2.164   7.304   7.436
  123    HG2  GLU  17           2HG      GLU  17   2.108   6.198   9.653
  124    HG3  GLU  17           3HG      GLU  17   3.442   5.144   9.176
  125    H    ASN  18           H        ASN  18  -0.329   6.359   6.028
  126    HA   ASN  18           HA       ASN  18  -2.020   6.509   8.350
  127    HB2  ASN  18           2HB      ASN  18  -2.672   6.703   5.380
  128    HB3  ASN  18           3HB      ASN  18  -3.794   7.072   6.660
  129   HD21  ASN  18          2HD2      ASN  18  -1.072   8.224   4.889
  130   HD22  ASN  18          1HD2      ASN  18  -0.921   9.789   5.690
  131    H    TYR  19           H        TYR  19  -1.362   3.831   6.263
  132    HA   TYR  19           HA       TYR  19  -3.749   2.350   7.279
  133    HB2  TYR  19           2HB      TYR  19  -1.990   1.448   5.014
  134    HB3  TYR  19           3HB      TYR  19  -3.631   0.958   5.387
  135    HD1  TYR  19           HD1      TYR  19  -5.545   2.649   4.948
  136    HD2  TYR  19           HD2      TYR  19  -1.505   3.283   3.639
  137    HE1  TYR  19           HE1      TYR  19  -6.330   4.411   3.378
  138    HE2  TYR  19           HE2      TYR  19  -2.254   5.057   2.080
  139    HH   TYR  19           HH       TYR  19  -5.732   5.967   1.792
  140    H    CYS  20           H        CYS  20  -0.778   2.896   8.327
  141    HA   CYS  20           HA       CYS  20   0.292   0.222   8.804
  142    HB2  CYS  20           2HB      CYS  20   1.701   2.212   8.641
  143    HB3  CYS  20           3HB      CYS  20   0.892   2.929  10.032
  144    H    ASN  21           H        ASN  21   0.014  -1.094  10.622
  145    HA   ASN  21           HA       ASN  21  -2.303  -0.769  12.289
  146    HB2  ASN  21           2HB      ASN  21   0.151  -2.558  12.476
  147    HB3  ASN  21           3HB      ASN  21  -1.117  -2.587  13.690
  148   HD21  ASN  21          1HD2      ASN  21  -0.502  -4.889  12.325
  149   HD22  ASN  21          2HD2      ASN  21  -1.888  -5.311  11.325
  150    H1   PHE   1           H        PHE   1  11.515   1.598  -1.641
  151    HA   PHE   1           HA       PHE   1  10.939   0.054  -4.025
  152    HB2  PHE   1           2HB      PHE   1   8.512   0.117  -3.858
  153    HB3  PHE   1           3HB      PHE   1   9.247  -0.867  -2.606
  154    HD1  PHE   1           HD2      PHE   1   9.296  -0.121  -0.272
  155    HD2  PHE   1           HD1      PHE   1   7.321   2.183  -3.308
  156    HE1  PHE   1           HE2      PHE   1   8.095   1.166   1.501
  157    HE2  PHE   1           HE1      PHE   1   6.130   3.492  -1.552
  158    HZ   PHE   1           HZ       PHE   1   6.537   2.989   0.854
  159    H    VAL   2           H        VAL   2   9.756   1.272  -5.664
  160    HA   VAL   2           HA       VAL   2  10.731   4.045  -5.793
  161    HB   VAL   2           HB       VAL   2   9.331   2.299  -7.854
  162   HG11  VAL   2          1HG1      VAL   2   8.932   4.620  -8.490
  163   HG12  VAL   2          2HG1      VAL   2  10.639   5.035  -8.205
  164   HG13  VAL   2          3HG1      VAL   2  10.178   3.954  -9.539
  165   HG21  VAL   2          3HG2      VAL   2  12.266   3.083  -7.541
  166   HG22  VAL   2          1HG2      VAL   2  11.583   1.465  -7.271
  167   HG23  VAL   2          2HG2      VAL   2  11.585   2.154  -8.893
  168    H    ASN   3           H        ASN   3   9.500   5.878  -6.039
  169    HA   ASN   3           HA       ASN   3   6.764   5.966  -5.046
  170    HB2  ASN   3           2HB      ASN   3   8.374   8.143  -6.436
  171    HB3  ASN   3           3HB      ASN   3   6.970   8.344  -5.382
  172   HD21  ASN   3          2HD2      ASN   3   7.270   7.662  -3.037
  173   HD22  ASN   3          1HD2      ASN   3   8.900   7.701  -2.367
  174    H    GLN   4           H        GLN   4   5.311   4.893  -6.314
  175    HA   GLN   4           HA       GLN   4   4.694   5.859  -9.004
  176    HB2  GLN   4           2HB      GLN   4   5.099   3.851 -10.198
  177    HB3  GLN   4           3HB      GLN   4   6.586   4.331  -9.401
  178    HG2  GLN   4           2HG      GLN   4   6.060   2.633  -7.580
  179    HG3  GLN   4           3HG      GLN   4   4.707   2.084  -8.571
  180   HE21  GLN   4          2HE2      GLN   4   6.485   0.156  -7.936
  181   HE22  GLN   4          1HE2      GLN   4   7.510  -0.207  -9.316
  182    H    HIS   5           H        HIS   5   3.006   4.031  -9.925
  183    HA   HIS   5           HA       HIS   5   0.710   4.349  -8.167
  184    HB2  HIS   5           2HB      HIS   5   0.930   3.105 -10.935
  185    HB3  HIS   5           3HB      HIS   5  -0.544   3.630 -10.123
  186    HD2  HIS   5           HD2      HIS   5   2.500   4.973 -12.041
  187    HE1  HIS   5           HE1      HIS   5  -0.121   8.277 -11.487
  188    HE2  HIS   5           HE2      HIS   5   2.002   7.479 -12.649
  189    H    LEU   6           H        LEU   6   1.687   2.889  -6.496
  190    HA   LEU   6           HA       LEU   6   2.312   0.190  -6.809
  191    HB2  LEU   6           2HB      LEU   6   0.993   1.283  -4.310
  192    HB3  LEU   6           3HB      LEU   6   2.142  -0.039  -4.445
  193    HG   LEU   6           HG       LEU   6   2.649   2.947  -4.606
  194   HD11  LEU   6          1HD1      LEU   6   4.135   2.481  -2.727
  195   HD12  LEU   6          2HD1      LEU   6   2.485   1.910  -2.395
  196   HD13  LEU   6          3HD1      LEU   6   3.744   0.754  -2.869
  197   HD21  LEU   6          3HD2      LEU   6   4.049   1.961  -6.380
  198   HD22  LEU   6          1HD2      LEU   6   5.038   2.479  -5.011
  199   HD23  LEU   6          2HD2      LEU   6   4.675   0.758  -5.244
  200    H    CYS   7           H        CYS   7   1.162  -1.617  -7.328
  201    HA   CYS   7           HA       CYS   7  -1.615  -2.018  -6.537
  202    HB2  CYS   7           2HB      CYS   7  -1.723  -0.205  -8.267
  203    HB3  CYS   7           3HB      CYS   7  -1.152  -1.340  -9.466
  204    H    GLY   8           H        GLY   8  -1.035  -3.294  -9.670
  205    HA2  GLY   8           HA2      GLY   8  -0.862  -6.043  -8.579
  206    HA3  GLY   8           HA3      GLY   8  -1.237  -5.559 -10.225
  207    H    SER   9           H        SER   9   2.623  -6.453  -9.549
  208    HA   SER   9           HA       SER   9   0.600  -6.597  -7.333
  209    HB2  SER   9           2HB      SER   9   1.165  -8.792  -8.407
  210    HB3  SER   9           3HB      SER   9   2.849  -8.542  -7.907
  211    HG   SER   9           HG       SER   9   1.624  -9.782  -6.371
  212    H    HIS  10           H        HIS  10   1.134  -5.559  -5.565
  213    HA   HIS  10           HA       HIS  10   3.668  -4.950  -4.461
  214    HB2  HIS  10           2HB      HIS  10   3.433  -3.511  -6.746
  215    HB3  HIS  10           3HB      HIS  10   2.486  -2.471  -5.704
  216    HD2  HIS  10           HD2      HIS  10   5.942  -4.135  -5.964
  217    HE1  HIS  10           HE1      HIS  10   6.410  -0.890  -3.256
  218    HE2  HIS  10           HE2      HIS  10   7.646  -2.731  -4.521
  219    H    LEU  11           H        LEU  11   2.981  -2.462  -3.366
  220    HA   LEU  11           HA       LEU  11   1.793  -1.210  -1.973
  221    HB2  LEU  11           2HB      LEU  11   0.028  -1.436  -3.658
  222    HB3  LEU  11           3HB      LEU  11  -0.599  -2.878  -2.867
  223    HG   LEU  11           HG       LEU  11  -1.252  -1.602  -0.896
  224   HD11  LEU  11          1HD1      LEU  11  -0.036   0.804  -2.308
  225   HD12  LEU  11          2HD1      LEU  11  -1.106   0.891  -0.897
  226   HD13  LEU  11          3HD1      LEU  11   0.466   0.114  -0.749
  227   HD21  LEU  11          3HD2      LEU  11  -3.017  -0.257  -1.964
  228   HD22  LEU  11          1HD2      LEU  11  -2.104  -0.248  -3.492
  229   HD23  LEU  11          2HD2      LEU  11  -2.765  -1.767  -2.858
  230    H    VAL  12           H        VAL  12   0.737  -4.573  -1.526
  231    HA   VAL  12           HA       VAL  12   0.618  -4.570   1.349
  232    HB   VAL  12           HB       VAL  12   1.337  -6.689  -0.724
  233   HG11  VAL  12          1HG1      VAL  12   0.690  -7.198   2.226
  234   HG12  VAL  12          2HG1      VAL  12   0.813  -8.451   0.978
  235   HG13  VAL  12          3HG1      VAL  12   2.240  -7.518   1.418
  236   HG21  VAL  12          3HG2      VAL  12  -0.972  -7.553  -0.324
  237   HG22  VAL  12          1HG2      VAL  12  -1.272  -6.181   0.767
  238   HG23  VAL  12          2HG2      VAL  12  -0.959  -5.912  -0.963
  239    H    GLU  13           H        GLU  13   3.313  -5.385  -0.888
  240    HA   GLU  13           HA       GLU  13   5.260  -5.721   1.187
  241    HB2  GLU  13           2HB      GLU  13   6.927  -5.600  -0.630
  242    HB3  GLU  13           3HB      GLU  13   5.644  -6.775  -0.893
  243    HG2  GLU  13           2HG      GLU  13   4.553  -5.278  -2.517
  244    HG3  GLU  13           3HG      GLU  13   5.804  -4.055  -2.241
  245    H    ALA  14           H        ALA  14   4.349  -2.817  -0.734
  246    HA   ALA  14           HA       ALA  14   6.316  -1.063   0.373
  247    HB1  ALA  14           3HB      ALA  14   4.866  -0.609  -1.610
  248    HB2  ALA  14           1HB      ALA  14   3.466  -0.415  -0.530
  249    HB3  ALA  14           2HB      ALA  14   4.833   0.699  -0.432
  250    H    LEU  15           H        LEU  15   2.940  -1.726   1.456
  251    HA   LEU  15           HA       LEU  15   2.991  -0.097   3.762
  252    HB2  LEU  15           2HB      LEU  15   1.427  -2.590   3.024
  253    HB3  LEU  15           3HB      LEU  15   1.238  -1.780   4.593
  254    HG   LEU  15           HG       LEU  15   0.674  -0.483   1.927
  255   HD11  LEU  15          1HD1      LEU  15  -1.667  -0.803   2.540
  256   HD12  LEU  15          2HD1      LEU  15  -0.835  -2.367   2.597
  257   HD13  LEU  15          3HD1      LEU  15  -1.208  -1.508   4.100
  258   HD21  LEU  15          3HD2      LEU  15   1.301   1.171   3.679
  259   HD22  LEU  15          1HD2      LEU  15  -0.413   1.264   3.289
  260   HD23  LEU  15          2HD2      LEU  15   0.124   0.454   4.784
  261    H    TYR  16           H        TYR  16   4.015  -3.526   3.425
  262    HA   TYR  16           HA       TYR  16   4.738  -3.828   6.194
  263    HB2  TYR  16           2HB      TYR  16   4.469  -5.788   4.846
  264    HB3  TYR  16           3HB      TYR  16   5.638  -5.222   3.654
  265    HD1  TYR  16           HD1      TYR  16   5.347  -6.172   7.280
  266    HD2  TYR  16           HD2      TYR  16   7.942  -5.712   3.870
  267    HE1  TYR  16           HE1      TYR  16   7.252  -7.045   8.619
  268    HE2  TYR  16           HE2      TYR  16   9.854  -6.569   5.196
  269    HH   TYR  16           HH       TYR  16  10.557  -7.377   7.245
  270    H    LEU  17           H        LEU  17   6.680  -2.687   3.360
  271    HA   LEU  17           HA       LEU  17   9.109  -2.416   4.899
  272    HB2  LEU  17           2HB      LEU  17   8.178  -1.306   2.235
  273    HB3  LEU  17           3HB      LEU  17   9.781  -0.971   2.886
  274    HG   LEU  17           HG       LEU  17   8.748  -3.802   2.414
  275   HD11  LEU  17          1HD1      LEU  17  10.525  -2.073   0.644
  276   HD12  LEU  17          2HD1      LEU  17  10.118  -3.783   0.371
  277   HD13  LEU  17          3HD1      LEU  17   8.848  -2.551   0.290
  278   HD21  LEU  17          3HD2      LEU  17  10.592  -3.732   4.034
  279   HD22  LEU  17          1HD2      LEU  17  11.159  -4.393   2.501
  280   HD23  LEU  17          2HD2      LEU  17  11.550  -2.715   2.934
  281    H    VAL  18           H        VAL  18   6.482  -0.128   4.241
  282    HA   VAL  18           HA       VAL  18   7.711   2.114   5.625
  283    HB   VAL  18           HB       VAL  18   4.812   1.469   4.964
  284   HG11  VAL  18          1HG1      VAL  18   5.936   4.078   6.086
  285   HG12  VAL  18          2HG1      VAL  18   4.319   3.874   5.381
  286   HG13  VAL  18          3HG1      VAL  18   4.734   3.025   6.868
  287   HG21  VAL  18          3HG2      VAL  18   6.771   3.472   3.765
  288   HG22  VAL  18          1HG2      VAL  18   6.377   1.898   3.063
  289   HG23  VAL  18          2HG2      VAL  18   5.117   3.115   3.210
  290    H    CYS  19           H        CYS  19   5.125  -0.154   6.635
  291    HA   CYS  19           HA       CYS  19   4.973   0.950   9.297
  292    HB2  CYS  19           2HB      CYS  19   3.129  -0.097   7.846
  293    HB3  CYS  19           3HB      CYS  19   3.801  -1.656   8.278
  294    H    GLY  20           H        GLY  20   6.771  -1.791   8.046
  295    HA2  GLY  20           HA2      GLY  20   8.449  -3.047   9.061
  296    HA3  GLY  20           HA3      GLY  20   8.090  -2.283  10.624
  297    H    GLU  21           H        GLU  21   8.342  -4.377  11.511
  298    HA   GLU  21           HA       GLU  21   6.849  -6.688  10.913
  299    HB2  GLU  21           2HB      GLU  21   8.947  -6.444  12.276
  300    HB3  GLU  21           3HB      GLU  21   7.967  -5.837  13.614
  301    HG2  GLU  21           2HG      GLU  21   6.802  -7.999  13.767
  302    HG3  GLU  21           3HG      GLU  21   7.616  -8.572  12.307
  303    H    ARG  22           H        ARG  22   5.684  -3.813  12.353
  304    HA   ARG  22           HA       ARG  22   3.567  -4.623  14.053
  305    HB2  ARG  22           2HB      ARG  22   3.711  -2.321  12.071
  306    HB3  ARG  22           3HB      ARG  22   2.545  -2.451  13.392
  307    HG2  ARG  22           2HG      ARG  22   4.401  -2.334  15.037
  308    HG3  ARG  22           3HG      ARG  22   5.569  -2.187  13.705
  309    HD2  ARG  22           2HD      ARG  22   4.361  -0.120  12.926
  310    HD3  ARG  22           3HD      ARG  22   3.292  -0.256  14.319
  311    HE   ARG  22           HE       ARG  22   4.977   0.476  15.736
  312   HH11  ARG  22          1HH2      ARG  22   6.432  -0.031  12.529
  313   HH12  ARG  22          2HH2      ARG  22   7.894   0.794  12.986
  314   HH21  ARG  22          1HH1      ARG  22   6.889   1.518  16.229
  315   HH22  ARG  22          2HH1      ARG  22   8.149   1.652  15.041
  316    H    GLY  23           H        GLY  23   3.778  -4.671  10.518
  317    HA2  GLY  23           HA2      GLY  23   2.384  -5.600   8.900
  318    HA3  GLY  23           HA3      GLY  23   1.322  -6.210  10.185
  319    H    HIS  24           H        HIS  24  -0.185  -5.541   8.353
  320    HA   HIS  24           HA       HIS  24  -1.409  -2.938   8.991
  321    HB2  HIS  24           2HB      HIS  24  -1.422  -2.247   6.604
  322    HB3  HIS  24           3HB      HIS  24   0.180  -2.259   7.330
  323    HD2  HIS  24           HD2      HIS  24   2.004  -3.735   6.216
  324    HE1  HIS  24           HE1      HIS  24  -0.399  -5.574   3.227
  325    HE2  HIS  24           HE2      HIS  24   1.987  -5.244   4.054
  326    H    PHE  25           H        PHE  25  -3.520  -2.644   7.976
  327    HA   PHE  25           HA       PHE  25  -5.002  -5.165   8.116
  328    HB2  PHE  25           2HB      PHE  25  -6.966  -3.672   8.268
  329    HB3  PHE  25           3HB      PHE  25  -5.745  -3.408   9.492
  330    HD1  PHE  25           HD1      PHE  25  -7.102  -2.031   6.282
  331    HD2  PHE  25           HD2      PHE  25  -4.768  -1.248   9.836
  332    HE1  PHE  25           HE1      PHE  25  -7.151   0.400   5.785
  333    HE2  PHE  25           HE2      PHE  25  -4.852   1.180   9.345
  334    HZ   PHE  25           HZ       PHE  25  -6.063   2.011   7.335
  335    H    TYR  26           H        TYR  26  -3.813  -3.341   5.460
  336    HA   TYR  26           HA       TYR  26  -5.871  -4.330   3.581
  337    HB2  TYR  26           2HB      TYR  26  -4.969  -2.180   3.079
  338    HB3  TYR  26           3HB      TYR  26  -3.318  -2.770   3.210
  339    HD1  TYR  26           HD2      TYR  26  -6.470  -3.540   1.245
  340    HD2  TYR  26           HD1      TYR  26  -2.169  -3.297   1.239
  341    HE1  TYR  26           HE2      TYR  26  -6.427  -4.189  -1.158
  342    HE2  TYR  26           HE1      TYR  26  -2.116  -3.896  -1.142
  343    HH   TYR  26           HH       TYR  26  -5.110  -4.621  -3.003
  344    H    THR  27           H        THR  27  -5.696  -6.549   4.207
  345    HA   THR  27           HA       THR  27  -3.427  -8.007   2.886
  346    HB   THR  27           HB       THR  27  -4.139  -9.945   4.291
  347    HG1  THR  27           HG1      THR  27  -6.185  -9.134   4.895
  348   HG21  THR  27          1HG2      THR  27  -3.178  -7.437   5.755
  349   HG22  THR  27          2HG2      THR  27  -2.959  -9.117   6.287
  350   HG23  THR  27          3HG2      THR  27  -2.159  -8.541   4.815
  351    HA   PRO  28           HA       PRO  28  -7.069  -8.413   0.143
  352    HB2  PRO  28           2HB      PRO  28  -5.779  -8.569  -2.258
  353    HB3  PRO  28           3HB      PRO  28  -6.010  -7.026  -1.374
  354    HG2  PRO  28           2HG      PRO  28  -3.568  -8.835  -1.361
  355    HG3  PRO  28           3HG      PRO  28  -3.624  -7.065  -1.637
  356    HD2  PRO  28           2HD      PRO  28  -3.054  -8.108   0.798
  357    HD3  PRO  28           3HD      PRO  28  -4.052  -6.629   0.644
  358    H    LYS  29           H        LYS  29  -7.911 -10.132  -1.192
  359    HA   LYS  29           HA       LYS  29  -7.062 -12.776  -0.412
  360    HB2  LYS  29           2HB      LYS  29  -9.414 -12.180  -0.729
  361    HB3  LYS  29           3HB      LYS  29  -9.110 -11.768  -2.410
  362    HG2  LYS  29           2HG      LYS  29 -10.237 -13.826  -2.373
  363    HG3  LYS  29           3HG      LYS  29  -8.607 -14.163  -2.910
  364    HD2  LYS  29           2HD      LYS  29  -9.543 -14.601  -0.033
  365    HD3  LYS  29           3HD      LYS  29  -9.741 -15.801  -1.312
  366    HE2  LYS  29           2HE      LYS  29  -7.236 -15.718  -1.701
  367    HE3  LYS  29           3HE      LYS  29  -7.104 -14.741  -0.230
  368    HZ1  LYS  29           HZ1      LYS  29  -8.103 -16.576   1.002
  369    HZ2  LYS  29           HZ2      LYS  29  -8.220 -17.479  -0.359
  370    HZ3  LYS  29           HZ3      LYS  29  -6.752 -17.076   0.228
  371    H    THR  30           H        THR  30  -5.463 -13.897  -1.235
  372    HA   THR  30           HA       THR  30  -3.968 -13.390  -3.607
  373    HB   THR  30           HB       THR  30  -3.087 -15.754  -3.104
  374    HG1  THR  30           HG1      THR  30  -3.660 -16.548  -1.081
  375   HG21  THR  30          1HG2      THR  30  -2.992 -13.651  -0.891
  376   HG22  THR  30          2HG2      THR  30  -1.832 -14.977  -1.137
  377   HG23  THR  30          3HG2      THR  30  -1.964 -13.684  -2.339