*HEADER    METAL BINDING PROTEIN                   28-FEB-07   2P0P              
*TITLE     CALCIUM BINDING PROTEIN IN THE FREE FORM                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALR1010 PROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CCBP;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANABAENA SP.;                                   
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: PCC 7120;                                                    
*SOURCE   5 GENE: CCBP;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    CALCIUM BINDING, METAL BINDING PROTEIN                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    X.ZHANG, Y.HU, C.JIN                                                  
*REVDAT   2   22-APR-08 2P0P    1       UPDATE MODEL NUMBERING AND THE CONSTRAINT DATA
*REVDAT   1   25-MAR-08 2P0P    0                                                


#
# 126 PHE HD 32 TRP HE1 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=2006,2014,
 &end
#
# 126 PHE HE 32 TRP HE1 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2008,2012,
 &end
#
# 105  VAL  MGY  104  ASP  HA 5.00   (#  3916:20)
 &rst
  ixpk= 3916, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  25  LYS  HB+   26  GLU  HA 5.00   (#   990:20)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 388, 389,
 &end
#
#  25  LYS  HA  25  LYS  HB+  3.00   (#  989:20)
 &rst
  ixpk= 989, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 388, 389,
 &end
#
# 105  VAL  HN  104  ASP  HA  3.00   (#  2035:20)
 &rst
  ixpk= 2035, nxpk= 20, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 25 LYS  HB+  126  PHE  HB+  5.00   (#  3309:20        !!!!)
 &rst
  ixpk= 3309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 388, 389,
 igr2=2002,2003,
 &end
#
# 25 LYS  HB+  126  PHE  HB-  4.00   (#  3310:20        !!!!)
 &rst
  ixpk= 3310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 388, 389,
 igr2=2002,2003,
 &end
#
# 11  GLU  HB-  11  GLU  HA  4.00   (#  3402:20)
 &rst
  ixpk= 3402, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 166, 167,
 &end
#
# 2  ALA  MB  2  ALA  HA  4.00   (#  399:20)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
# 3  SER  QB  2  ALA  QB  5.00   (#  1686:20 )
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  35,  36,
 igr2=  25,  26,  27,
 &end
#
# 122  ARG  HA  2  ALA  MB  5.00   (#  1687:20)
 &rst
  ixpk= 1687, nxpk= 20, iat=1926,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  25,  26,  27,
 &end
#
# 2 ALA MB 3 SER HA  5.00   (#  259:20)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  25,  26,  27,
 &end
#
# 2 ALA MB 122 ARG HA  4.50   (#  377:20)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  25,  26,  27,
 &end
#
# 2 ALA MB  2  ALA  HA  4.00   (#  399:20)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
# 4 VAL MGY  3  SER  HA  4.50   (#  260:20)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
# 4 VAL HN  3  SER  HB-  6.00   (#  1920:20)
 &rst
  ixpk= 1920, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  35,  36,
 &end
#
# 4 VAL HN  3  SER  HA 4.00   (#  1974:20)
 &rst
  ixpk= 1974, nxpk= 20, iat=  42,  33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 90  ASP  HN  90  ASP  HB+  4.00   (#  2243:20)
 &rst
  ixpk= 2243, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1438,1439,
 &end
#
# 4  VAL  HN  3  SER  HB-  5.00   (#  3635:20)
 &rst
  ixpk= 3635, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  35,  36,
 &end
#
# 122  ARG  HN  4  VAL  MGX  5.00   (#  2901:20)
 &rst
  ixpk= 2901, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
# 20  VAL  MGX 22  ALA  HN 4.50   (#2901ambig)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 325, 326, 327, 329, 330, 331,
 &end
#
# 4  VAL  HN  4  VAL  HB  4.50   (#  2430:20)
 &rst
  ixpk= 2430, nxpk= 20, iat=  42,  46, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5  GLU  HN  4  VAL  MGY  5.00   (#  2867:20)
 &rst
  ixpk= 2867, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
# 5  GLU  HN  4  VAL  MGX  5.00   (#  2906:20)
 &rst
  ixpk= 2906, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
# 4  VAL  HB  4  VAL  HA  5.00   (#  3154:20)
 &rst
  ixpk= 3154, nxpk= 20, iat=  46,  44, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 25  LYS  HE+  25  LYS  HA  6.00   (#  3522:20)
 &rst
  ixpk= 3522, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 397, 398,
 &end
#
# 29  ALA  HN  27  GLU  HA  6.00   (#  1966:20)
 &rst
  ixpk= 1966, nxpk= 20, iat= 460, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 18  ILE  HN  18  ILE  HA 5.00   (#  3214:20)
 &rst
  ixpk= 3214, nxpk= 20, iat= 281, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 27  GLU  HN  26  GLU  HG+ 5.00   (#  3802:20)
 &rst
  ixpk= 3802, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 413, 414,
 &end
#
# 30  MET  ME 78  MET  ME 5.00   (#  1541:20)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 481, 482, 483,
 igr2=1271,1272,1273,
 &end
#
# 36  LEU  HN  36  LEU  MDX  5.00   (#  2703:20)
 &rst
  ixpk= 2703, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
# 62  THR  MG2  45  MET  QG  5.00   (#  1008:20)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1035,1036,1037,
 igr2= 733, 734,
 &end
#
# 61  LYS  HN  60  GLU  HG+  5.00   (#  2325:20)
 &rst
  ixpk= 2325, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 999,1000,
 &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=43,47,51,46, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,55,44,45, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=59,64,62,63, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=61,67,65,66, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=57,70,60,61, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=74,79,77,78, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=76,82,80,81, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=79,85,83,84, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=72,94,75,76, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=96,106,99,100, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=110,115,113,114, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=112,118,116,117, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=108,121,111,112, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=125,129,133,128, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=123,135,126,127, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=139,144,142,143, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=141,147,145,146, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=144,150,148,149, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=137,159,140,141, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=163,168,166,167, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=165,171,169,170, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=161,174,164,165, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=178,183,181,182, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=176,191,179,180, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=197,203,201,202, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat=200,206,204,205, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=193,215,196,197, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=219,223,227,222, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=221,230,228,229, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=217,234,220,221, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=238,243,241,242, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=240,246,244,245, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=236,249,239,240, &end
#
#  chirality for residue 16 atoms:  CA CG2 OG1 HB
 &rst iat=253,257,261,256, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=251,263,254,255, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=267,272,270,271, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=269,275,273,274, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=265,278,268,269, &end
#
#  chirality for residue 18 atoms:  CA CG2 CG1 HB
 &rst iat=282,286,290,285, &end
#
#  chirality for residue 18 atoms:  CB CD1 HG12 HG13
 &rst iat=284,293,291,292, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=280,297,283,284, &end
#
#  chirality for residue 19 atoms:  CA CG2 CG1 HB
 &rst iat=301,305,309,304, &end
#
#  chirality for residue 19 atoms:  CB CD1 HG12 HG13
 &rst iat=303,312,310,311, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=299,316,302,303, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=320,324,328,323, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=318,332,321,322, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=336,341,339,340, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=334,344,337,338, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=346,354,349,350, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=356,369,359,360, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=371,381,374,375, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=385,390,388,389, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=393,399,397,398, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=390,396,394,395, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=383,403,386,387, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=407,412,410,411, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=409,415,413,414, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=405,418,408,409, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=422,427,425,426, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=424,430,428,429, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=420,433,423,424, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=442,448,446,447, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=435,457,438,439, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=459,467,462,463, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=471,476,474,475, &end
#
#  chirality for residue 30 atoms:  CB SD HG2 HG3
 &rst iat=473,479,477,478, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=469,484,472,473, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=493,515,496,497, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=517,536,520,521, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=538,557,541,542, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=561,566,564,565, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=559,578,562,563, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=584,589,593,588, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=580,597,583,584, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=599,609,602,603, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=611,621,614,615, &end
#
#  chirality for residue 39 atoms:  CA CG2 OG1 HB
 &rst iat=625,629,633,628, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=623,635,626,627, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=639,644,642,643, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=641,646,650,645, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=637,654,640,641, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=658,663,661,662, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=660,666,664,665, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=656,669,659,660, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=673,678,676,677, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=671,689,674,675, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=701,695,699,700, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=698,692,696,697, &end
#
#  chirality for residue 43 atoms:  CG N HD2 HD3
 &rst iat=695,691,693,694, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=691,703,702,698, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=707,712,710,711, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=705,723,708,709, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=727,732,730,731, &end
#
#  chirality for residue 45 atoms:  CB SD HG2 HG3
 &rst iat=729,735,733,734, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=725,740,728,729, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=742,747,745,746, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=751,756,754,755, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 47 atoms:  CD NZ HE2 HE3
 &rst iat=759,765,763,764, &end
#
#  chirality for residue 47 atoms:  CG CE HD2 HD3
 &rst iat=756,762,760,761, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=749,769,752,753, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=773,778,776,777, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=771,793,774,775, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=799,805,803,804, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=805,811,809,810, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=802,808,806,807, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=795,815,798,799, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=821,827,825,826, &end
#
#  chirality for residue 50 atoms:  CD NZ HE2 HE3
 &rst iat=827,833,831,832, &end
#
#  chirality for residue 50 atoms:  CG CE HD2 HD3
 &rst iat=824,830,828,829, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=817,837,820,821, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=841,846,844,845, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=843,849,847,848, &end
#
#  chirality for residue 51 atoms:  CD NZ HE2 HE3
 &rst iat=849,855,853,854, &end
#
#  chirality for residue 51 atoms:  CG CE HD2 HD3
 &rst iat=846,852,850,851, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=839,859,842,843, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=863,868,866,867, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=861,870,864,865, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=876,882,880,881, &end
#
#  chirality for residue 53 atoms:  CG NE HD2 HD3
 &rst iat=879,885,883,884, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=872,894,875,876, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=898,903,901,902, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=900,906,904,905, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=906,912,910,911, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=903,909,907,908, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=896,916,899,900, &end
#
#  chirality for residue 55 atoms:  CA CG2 OG1 HB
 &rst iat=920,924,928,923, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=918,930,921,922, &end
#
#  chirality for residue 56 atoms:  CA OG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=932,941,935,936, &end
#
#  chirality for residue 57 atoms:  CA CG2 OG1 HB
 &rst iat=945,949,953,948, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=943,955,946,947, &end
#
#  chirality for residue 58 atoms:  CA CG2 CG1 HB
 &rst iat=959,963,967,962, &end
#
#  chirality for residue 58 atoms:  CB CD1 HG12 HG13
 &rst iat=961,970,968,969, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=957,974,960,961, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=978,983,981,982, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=980,986,984,985, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=976,989,979,980, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=993,998,996,997, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=995,1001,999,1000, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=991,1004,994,995, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=1008,1013,1011,1012, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=1010,1016,1014,1015, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=1016,1022,1020,1021, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=1013,1019,1017,1018, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=1006,1026,1009,1010, &end
#
#  chirality for residue 62 atoms:  CA CG2 OG1 HB
 &rst iat=1030,1034,1038,1033, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1028,1040,1031,1032, &end
#
#  chirality for residue 63 atoms:  CA CG1 CG2 HB
 &rst iat=1044,1048,1052,1047, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1042,1056,1045,1046, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1060,1065,1063,1064, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=1062,1068,1066,1067, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1058,1071,1061,1062, &end
#
#  chirality for residue 65 atoms:  CA CG1 CG2 HB
 &rst iat=1075,1079,1083,1078, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1073,1087,1076,1077, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1091,1096,1094,1095, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=1093,1098,1102,1097, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1089,1106,1092,1093, &end
#
#  chirality for residue 67 atoms:  N C HA2 HA3
 &rst iat=1108,1113,1111,1112, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1117,1122,1120,1121, &end
#
#  chirality for residue 68 atoms:  CB SD HG2 HG3
 &rst iat=1119,1125,1123,1124, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1115,1130,1118,1119, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1132,1140,1135,1136, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1152,1146,1150,1151, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1149,1143,1147,1148, &end
#
#  chirality for residue 70 atoms:  CG N HD2 HD3
 &rst iat=1146,1142,1144,1145, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1142,1154,1153,1149, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1158,1163,1161,1162, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1156,1166,1159,1160, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1168,1178,1171,1172, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1182,1187,1185,1186, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1184,1190,1188,1189, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1180,1193,1183,1184, &end
#
#  chirality for residue 74 atoms:  CA SG HB2 HB3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1195,1204,1198,1199, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1208,1213,1211,1212, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1210,1215,1219,1214, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1206,1223,1209,1210, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1227,1232,1230,1231, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1229,1235,1233,1234, &end
#
#  chirality for residue 76 atoms:  CD NZ HE2 HE3
 &rst iat=1235,1241,1239,1240, &end
#
#  chirality for residue 76 atoms:  CG CE HD2 HD3
 &rst iat=1232,1238,1236,1237, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1225,1245,1228,1229, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1249,1254,1252,1253, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1247,1257,1250,1251, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1261,1266,1264,1265, &end
#
#  chirality for residue 78 atoms:  CB SD HG2 HG3
 &rst iat=1263,1269,1267,1268, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1259,1274,1262,1263, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1278,1283,1281,1282, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1276,1295,1279,1280, &end
#
#  chirality for residue 80 atoms:  CA CG1 CG2 HB
 &rst iat=1299,1303,1307,1302, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1297,1311,1300,1301, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1315,1320,1318,1319, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1317,1323,1321,1322, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1313,1326,1316,1317, &end
#
#  chirality for residue 82 atoms:  CA CG1 CG2 HB
 &rst iat=1330,1334,1338,1333, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1328,1342,1331,1332, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1344,1352,1347,1348, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1356,1361,1359,1360, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1354,1364,1357,1358, &end
#
#  chirality for residue 85 atoms:  CA CG2 CG1 HB
 &rst iat=1368,1372,1376,1371, &end
#
#  chirality for residue 85 atoms:  CB CD1 HG12 HG13
 &rst iat=1370,1379,1377,1378, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1366,1383,1369,1370, &end
#
#  chirality for residue 86 atoms:  N C HA2 HA3
 &rst iat=1385,1390,1388,1389, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1392,1397,1395,1396, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1403,1409,1407,1408, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=1409,1415,1413,1414, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=1406,1412,1410,1411, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1399,1419,1402,1403, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1423,1428,1426,1427, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1421,1431,1424,1425, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1435,1440,1438,1439, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1433,1443,1436,1437, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1447,1452,1450,1451, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1445,1455,1448,1449, &end
#
#  chirality for residue 92 atoms:  CA CG1 CG2 HB
 &rst iat=1459,1463,1467,1462, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1457,1471,1460,1461, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1475,1480,1478,1479, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1473,1492,1476,1477, &end
#
#  chirality for residue 94 atoms:  CA CG2 OG1 HB
 &rst iat=1496,1500,1504,1499, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1494,1506,1497,1498, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1508,1516,1511,1512, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1520,1525,1523,1524, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1522,1528,1526,1527, &end
#
#  chirality for residue 96 atoms:  CD NZ HE2 HE3
 &rst iat=1528,1534,1532,1533, &end
#
#  chirality for residue 96 atoms:  CG CE HD2 HD3
 &rst iat=1525,1531,1529,1530, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1518,1538,1521,1522, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 97 atoms:  CB CD1 CD2 HG
 &rst iat=1544,1549,1553,1548, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1540,1557,1543,1544, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1561,1566,1564,1565, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1559,1568,1562,1563, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1572,1577,1575,1576, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1570,1580,1573,1574, &end
#
#  chirality for residue 100 atoms:  CA CG2 CG1 HB
 &rst iat=1584,1588,1592,1587, &end
#
#  chirality for residue 100 atoms:  CB CD1 HG12 HG13
 &rst iat=1586,1595,1593,1594, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1582,1599,1585,1586, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1603,1608,1606,1607, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1605,1611,1609,1610, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1601,1614,1604,1605, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1616,1624,1619,1620, &end
#
#  chirality for residue 103 atoms:  CA CG2 CG1 HB
 &rst iat=1628,1632,1636,1631, &end
#
#  chirality for residue 103 atoms:  CB CD1 HG12 HG13
 &rst iat=1630,1639,1637,1638, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1626,1643,1629,1630, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1647,1652,1650,1651, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1645,1655,1648,1649, &end
#
#  chirality for residue 105 atoms:  CA CG1 CG2 HB
 &rst iat=1659,1663,1667,1662, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1657,1671,1660,1661, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1675,1680,1678,1679, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1673,1683,1676,1677, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1687,1692,1690,1691, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1685,1695,1688,1689, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1699,1704,1702,1703, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1697,1707,1700,1701, &end
#
#  chirality for residue 109 atoms:  CA CG2 OG1 HB
 &rst iat=1711,1715,1719,1714, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1709,1721,1712,1713, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1725,1730,1728,1729, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1727,1733,1731,1732, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1723,1738,1726,1727, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1742,1747,1745,1746, &end
#
#  chirality for residue 111 atoms:  CB CD HG2 HG3
 &rst iat=1744,1750,1748,1749, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1740,1753,1743,1744, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1755,1763,1758,1759, &end
#
#  chirality for residue 113 atoms:  CA CG2 CG1 HB
 &rst iat=1767,1771,1775,1770, &end
#
#  chirality for residue 113 atoms:  CB CD1 HG12 HG13
 &rst iat=1769,1778,1776,1777, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1765,1782,1768,1769, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1784,1792,1787,1788, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1796,1801,1799,1800, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1794,1804,1797,1798, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1808,1813,1811,1812, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1806,1828,1809,1810, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1832,1837,1835,1836, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=1834,1839,1843,1838, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1830,1847,1833,1834, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1851,1856,1854,1855, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1849,1868,1852,1853, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1872,1877,1875,1876, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1870,1892,1873,1874, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1896,1901,1899,1900, &end
#
#  chirality for residue 120 atoms:  CB CD1 CD2 HG
 &rst iat=1898,1903,1907,1902, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1894,1911,1897,1898, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1913,1921,1916,1917, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1925,1930,1928,1929, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1927,1933,1931,1932, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=1930,1936,1934,1935, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1923,1945,1926,1927, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=1947,1952,1950,1951, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1956,1961,1959,1960, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1954,1973,1957,1958, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1977,1982,1980,1981, &end
#
#  chirality for residue 125 atoms:  CB CD HG2 HG3
 &rst iat=1979,1985,1983,1984, &end
#
#  chirality for residue 125 atoms:  CD NZ HE2 HE3
 &rst iat=1985,1991,1989,1990, &end
#
#  chirality for residue 125 atoms:  CG CE HD2 HD3
 &rst iat=1982,1988,1986,1987, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1975,1995,1978,1979, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1999,2004,2002,2003, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1997,2015,2000,2001, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=59,57,55,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=74,72,70,59, &end
#
#  trans-omega constraint for residue 7
 &rst iat=98,96,94,74, &end
#
#  trans-omega constraint for residue 8
 &rst iat=110,108,106,98, &end
#
#  trans-omega constraint for residue 9
 &rst iat=125,123,121,110, &end
#
#  trans-omega constraint for residue 10
 &rst iat=139,137,135,125, &end
#
#  trans-omega constraint for residue 11
 &rst iat=163,161,159,139, &end
#
#  trans-omega constraint for residue 12
 &rst iat=178,176,174,163, &end
#
#  trans-omega constraint for residue 13
 &rst iat=195,193,191,178, &end
#
#  trans-omega constraint for residue 14
 &rst iat=219,217,215,195, &end
#
#  trans-omega constraint for residue 15
 &rst iat=238,236,234,219, &end
#
#  trans-omega constraint for residue 16
 &rst iat=253,251,249,238, &end
#
#  trans-omega constraint for residue 17
 &rst iat=267,265,263,253, &end
#
#  trans-omega constraint for residue 18
 &rst iat=282,280,278,267, &end
#
#  trans-omega constraint for residue 19
 &rst iat=301,299,297,282, &end
#
#  trans-omega constraint for residue 20
 &rst iat=320,318,316,301, &end
#
#  trans-omega constraint for residue 21
 &rst iat=336,334,332,320, &end
#
#  trans-omega constraint for residue 22
 &rst iat=348,346,344,336, &end
#
#  trans-omega constraint for residue 23
 &rst iat=358,356,354,348, &end
#
#  trans-omega constraint for residue 24
 &rst iat=373,371,369,358, &end
#
#  trans-omega constraint for residue 25
 &rst iat=385,383,381,373, &end
#
#  trans-omega constraint for residue 26
 &rst iat=407,405,403,385, &end
#
#  trans-omega constraint for residue 27
 &rst iat=422,420,418,407, &end
#
#  trans-omega constraint for residue 28
 &rst iat=437,435,433,422, &end
#
#  trans-omega constraint for residue 29
 &rst iat=461,459,457,437, &end
#
#  trans-omega constraint for residue 30
 &rst iat=471,469,467,461, &end
#
#  trans-omega constraint for residue 31
 &rst iat=488,486,484,471, &end
#
#  trans-omega constraint for residue 32
 &rst iat=495,493,491,488, &end
#
#  trans-omega constraint for residue 33
 &rst iat=519,517,515,495, &end
#
#  trans-omega constraint for residue 34
 &rst iat=540,538,536,519, &end
#
#  trans-omega constraint for residue 35
 &rst iat=561,559,557,540, &end
#
#  trans-omega constraint for residue 36
 &rst iat=582,580,578,561, &end
#
#  trans-omega constraint for residue 37
 &rst iat=601,599,597,582, &end
#
#  trans-omega constraint for residue 38
 &rst iat=613,611,609,601, &end
#
#  trans-omega constraint for residue 39
 &rst iat=625,623,621,613, &end
#
#  trans-omega constraint for residue 40
 &rst iat=639,637,635,625, &end
#
#  trans-omega constraint for residue 41
 &rst iat=658,656,654,639, &end
#
#  trans-omega constraint for residue 42
 &rst iat=673,671,669,658, &end
#
#  cis-omega constraint for residue 43
 &rst iat=701,691,689,673,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 44
 &rst iat=707,705,703,701,
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 45
 &rst iat=727,725,723,707, &end
#
#  trans-omega constraint for residue 46
 &rst iat=744,742,740,727, &end
#
#  trans-omega constraint for residue 47
 &rst iat=751,749,747,744, &end
#
#  trans-omega constraint for residue 48
 &rst iat=773,771,769,751, &end
#
#  trans-omega constraint for residue 49
 &rst iat=797,795,793,773, &end
#
#  trans-omega constraint for residue 50
 &rst iat=819,817,815,797, &end
#
#  trans-omega constraint for residue 51
 &rst iat=841,839,837,819, &end
#
#  trans-omega constraint for residue 52
 &rst iat=863,861,859,841, &end
#
#  trans-omega constraint for residue 53
 &rst iat=874,872,870,863, &end
#
#  trans-omega constraint for residue 54
 &rst iat=898,896,894,874, &end
#
#  trans-omega constraint for residue 55
 &rst iat=920,918,916,898, &end
#
#  trans-omega constraint for residue 56
 &rst iat=934,932,930,920, &end
#
#  trans-omega constraint for residue 57
 &rst iat=945,943,941,934, &end
#
#  trans-omega constraint for residue 58
 &rst iat=959,957,955,945, &end
#
#  trans-omega constraint for residue 59
 &rst iat=978,976,974,959, &end
#
#  trans-omega constraint for residue 60
 &rst iat=993,991,989,978, &end
#
#  trans-omega constraint for residue 61
 &rst iat=1008,1006,1004,993, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1030,1028,1026,1008, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1044,1042,1040,1030, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1060,1058,1056,1044, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1075,1073,1071,1060, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1091,1089,1087,1075, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1110,1108,1106,1091, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1117,1115,1113,1110, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1134,1132,1130,1117, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1152,1142,1140,1134, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1158,1156,1154,1152, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1170,1168,1166,1158, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1182,1180,1178,1170, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1197,1195,1193,1182, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1208,1206,1204,1197, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1227,1225,1223,1208, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1249,1247,1245,1227, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1261,1259,1257,1249, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1278,1276,1274,1261, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1299,1297,1295,1278, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1315,1313,1311,1299, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1330,1328,1326,1315, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1346,1344,1342,1330, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1356,1354,1352,1346, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1368,1366,1364,1356, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1387,1385,1383,1368, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1394,1392,1390,1387, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1401,1399,1397,1394, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1423,1421,1419,1401, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1435,1433,1431,1423, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1447,1445,1443,1435, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1459,1457,1455,1447, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1475,1473,1471,1459, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1496,1494,1492,1475, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1510,1508,1506,1496, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1520,1518,1516,1510, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1542,1540,1538,1520, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1561,1559,1557,1542, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1572,1570,1568,1561, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1584,1582,1580,1572, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1603,1601,1599,1584, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1618,1616,1614,1603, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1628,1626,1624,1618, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1647,1645,1643,1628, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1659,1657,1655,1647, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1675,1673,1671,1659, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1687,1685,1683,1675, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1699,1697,1695,1687, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1711,1709,1707,1699, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1725,1723,1721,1711, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1742,1740,1738,1725, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1757,1755,1753,1742, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1767,1765,1763,1757, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1786,1784,1782,1767, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1796,1794,1792,1786, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1808,1806,1804,1796, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1832,1830,1828,1808, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1851,1849,1847,1832, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1872,1870,1868,1851, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1896,1894,1892,1872, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1915,1913,1911,1896, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1925,1923,1921,1915, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1949,1947,1945,1925, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1956,1954,1952,1949, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1977,1975,1973,1956, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1999,1997,1995,1977, &end
#
#   44 PHE  HN           43 PRO  HA          3.00    (#      0:20        Unique  2.24, 2.28 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 706, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   76 LYS  HN           74 CYS  HA          4.00    (#      1:20        Unique  3.07, 3.24 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1226,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HN           74 CYS  HA          4.00    (#      2:20        Unique  2.98, 3.66 A)
 &rst
  ixpk= 2, nxpk= 20, iat=1248,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HN           74 CYS  HA          3.20    (#      3:20        Unique  2.27, 2.44 A)
 &rst
  ixpk= 3, nxpk= 20, iat=1207,1198, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   74 CYS  HN           74 CYS  HA          3.50    (#      5:20        Unique  2.81, 2.86 A)
 &rst
  ixpk= 5, nxpk= 20, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 ASP  HA           63 VAL  HA          3.50    (#      6:20        Unique  2.51, 2.86 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1357,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 VAL  HN           63 VAL  HA          3.50    (#      7:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 7, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 GLU  HN           63 VAL  HA          3.00    (#      8:20        Unique  2.33, 2.47 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HN           63 VAL  HA          3.00    (#      9:20        Unique  1.95, 2.11 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1367,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HN          100 ILE  HA          3.50    (#     11:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HN          100 ILE  HA          3.00    (#     12:20        Unique  2.35, 2.37 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1602,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HA          100 ILE  HA          3.00    (#     13:20        Unique  1.83, 1.87 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 774,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 ALA  HN           82 VAL  HA          3.00    (#     14:20        Unique  2.26, 2.42 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1345,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LEU  HN           82 VAL  HA          3.50    (#     15:20        Unique  2.34, 3.09 A)
 &rst
  ixpk= 15, nxpk= 20, iat=1090,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 TYR  HN           79 TYR  HA          3.50    (#     16:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 16, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 VAL  HN           79 TYR  HA          3.00    (#     17:20        Unique  2.28, 2.46 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1298,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 LEU  HN           79 TYR  HA          4.00    (#     18:20        Unique  3.04, 3.72 A)
 &rst
  ixpk= 18, nxpk= 20, iat=1541,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HE           79 TYR  HA          6.00    (#     19:20        Unique  4.87, 5.55 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1287,1292,
 &end
#
#   79 TYR  HN           79 TYR  HA          4.00    (#     20:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 20, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HD-          44 PHE  HA          4.50    (#     22:20        Unique  3.82, 4.15 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 714, 722,
 &end
#
#   45 MET  HN           44 PHE  HA          2.80    (#     23:20        Unique  2.15, 2.18 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HN           44 PHE  HA          3.50    (#     24:20        Unique  2.86, 2.87 A)
 &rst
  ixpk= 24, nxpk= 20, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PHE  HD+          44 PHE  HA          4.50    (#     25:20        Unique  3.82, 4.15 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 714, 722,
 &end
#
#   48 TRP  HE1          99 ASP  HA          5.50    (#     26:20        Unique  5.05, 5.13 A)
 &rst
  ixpk= 26, nxpk= 20, iat= 782,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:28      99 ASP  HA          3.00    (#     28:20        Single  0.00, 0.00  )
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1583,1571,
 &end
#
#    0 AMB  20-2:29       0 AMB  20-1:29     4.00    (#     29:20        Double  0.00, 0.00  )
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1007, 796,
 igr2= 752,1573,
 &end
#
#   47 LYS  HN           47 LYS  HA          3.50    (#     30:20        Unique  2.84, 2.91 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TRP  HN           47 LYS  HA          2.80    (#     31:20        Unique  2.16, 2.17 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 772, 752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 VAL  HN           47 LYS  HA          4.00    (#     32:20        Unique  3.43, 3.72 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1043, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HA            0 AMB  20-1:33     5.00    (#     33:20        Single  0.00, 0.00  )
 &rst
  ixpk= 33, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 752,1573,
 &end
#
#   49 LYS  HN           48 TRP  HA          2.80    (#     34:20        Unique  2.20, 2.21 A)
 &rst
  ixpk= 34, nxpk= 20, iat= 796, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HD+          48 TRP  HA          3.50    (#     35:20        Unique  2.56, 2.74 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 VAL  HN           45 MET  HA          3.00    (#     37:20        Unique  2.38, 2.58 A)
 &rst
  ixpk= 37, nxpk= 20, iat=1074, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 MET  HN           45 MET  HA          3.50    (#     38:20        Unique  2.87, 2.88 A)
 &rst
  ixpk= 38, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HN           45 MET  HA          2.80    (#     39:20        Unique  2.18, 2.24 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 743, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HN           48 TRP  HA          3.50    (#     40:20        Unique  2.84, 2.85 A)
 &rst
  ixpk= 40, nxpk= 20, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ILE  HA           48 TRP  HA          3.50    (#     42:20        Unique  1.83, 1.87 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1585, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 LYS  HN           46 GLY  HA-         3.00    (#     43:20        Unique  2.15, 2.59 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#  103 ILE  HN           46 GLY  HA-         3.50    (#     44:20        Unique  1.97, 2.89 A)
 &rst
  ixpk= 44, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#   42 PHE  HB-          43 PRO  HA          4.00    (#     46:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          43 PRO  HA          4.00    (#     47:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   43 PRO  HB+          43 PRO  HA          3.00    (#     48:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          43 PRO  HA          3.00    (#     49:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 699, 700,
 &end
#
#    0 AMB  20-2:50      43 PRO  HA          4.50    (#     50:20        Single  0.00, 0.00  )
 &rst
  ixpk= 50, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 696, 697, 696, 697,
 &end
#
#   94 THR  MG2          94 THR  HA          3.00    (#     51:20        Unique  2.02, 2.85 A)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1501,1502,1503,
 &end
#
#   95 ALA  MB           94 THR  HA          4.50    (#     52:20        Unique  4.39, 5.02 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1513,1514,1515,
 &end
#
#   94 THR  HB           94 THR  HA          3.50    (#     53:20        Unique  2.92, 2.96 A)
 &rst
  ixpk= 53, nxpk= 20, iat=1499,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 CYS  HB+          74 CYS  HA          3.60    (#     54:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1200,1201,
 &end
#
#    0 AMB  20-2:55      74 CYS  HA          5.60    (#     55:20        Single  0.00, 0.00  )
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1=1271,1272,1273,1185,1186,
 &end
#
#   74 CYS  HB-          74 CYS  HA          3.60    (#     56:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1200,1201,
 &end
#
#   63 VAL  HB           63 VAL  HA          3.00    (#     57:20        Unique  2.35, 2.51 A)
 &rst
  ixpk= 57, nxpk= 20, iat=1047,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1+         63 VAL  HA          3.50    (#     58:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1377,1378,
 &end
#
#   63 VAL  MGX          63 VAL  HA          4.00    (#     59:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   47 LYS  HD+          63 VAL  HA          6.50    (#     60:20        Unique  6.55, 7.07 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 760, 761,
 &end
#
#   63 VAL  MGY          63 VAL  HA          3.00    (#     61:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  100 ILE  HG1-        100 ILE  HA          3.00    (#     62:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#  100 ILE  HB          100 ILE  HA          3.50    (#     63:20        Unique  2.59, 2.73 A)
 &rst
  ixpk= 63, nxpk= 20, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ILE  QG2         100 ILE  HA          3.00    (#     64:20        Unique  3.35, 3.78 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HA          4.00    (#     65:20        Unique  2.34, 3.97 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#  100 ILE  HG1-        100 ILE  HA          3.00    (#     66:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#   82 VAL  MGX          82 VAL  HA          4.00    (#     67:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   65 VAL  HA           82 VAL  HA          3.00    (#     68:20        Unique  2.01, 2.51 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1076,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:69      82 VAL  HA          4.50    (#     69:20        Single  0.00, 0.00  )
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1047,1066,1067,1302,
 &end
#
#   82 VAL  MGY          82 VAL  HA          3.00    (#     70:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  HA          3.00    (#     71:20        Unique  2.36, 2.57 A)
 &rst
  ixpk= 71, nxpk= 20, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 ALA  MB           82 VAL  HA          4.00    (#     72:20        Unique  4.20, 4.84 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  20-2:73      82 VAL  HA          4.00    (#     73:20        Single  0.00, 0.00  )
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 &end
#
#    0 AMB  20-2:74      79 TYR  HA          6.00    (#     74:20        Single  0.00, 0.00  )
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1499,1521,
 &end
#
#   94 THR  MG2          79 TYR  HA          6.00    (#     75:20        Unique  4.23, 5.61 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1501,1502,1503,
 &end
#
#   79 TYR  HB+          79 TYR  HA          3.00    (#     76:20        Unique  2.28, 2.68 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1281,1282,
 &end
#
#   80 VAL  MGX          79 TYR  HA          4.00    (#     77:20        Unique  3.08, 4.69 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   45 MET  HB-          44 PHE  HA          5.00    (#     80:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:81      44 PHE  HA          3.00    (#     81:20        Single  0.00, 0.00  )
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 710, 711, 710, 711,
 &end
#
#    0 AMB  20-2:82      44 PHE  HA          5.50    (#     82:20        Single  0.00, 0.00  )
 &rst
  ixpk= 82, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 730, 731, 696, 697,
 &end
#
#    0 AMB  20-2:83      44 PHE  HA          4.40    (#     83:20        Single  0.00, 0.00  )
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1664,1665,1666,1668,1669,1670,1099,1100,1101,1103,
      1104,1105,
 &end
#
#   99 ASP  HB+          99 ASP  HA          3.00    (#     84:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          99 ASP  HA          3.00    (#     85:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#    0 AMB  20-2:86      47 LYS  HA          3.00    (#     86:20        Single  0.00, 0.00  )
 &rst
  ixpk= 86, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,1593,1594,
 &end
#
#   47 LYS  HB-          47 LYS  HA          3.00    (#     87:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 754, 755,
 &end
#
#    0 AMB  20-2:88      47 LYS  HA          5.00    (#     88:20        Single  0.00, 0.00  )
 &rst
  ixpk= 88, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746, 776, 777,
 &end
#
#   62 THR  MG2          47 LYS  HA          5.50    (#     89:20        Unique  4.37, 5.17 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1035,1036,1037,
 &end
#
#   63 VAL  MGX          47 LYS  HA          6.00    (#     90:20        Unique  3.96, 5.77 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  100 ILE  QD1          48 TRP  HA          4.00    (#     91:20        Unique  1.89, 3.83 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HB-          48 TRP  HA          3.00    (#     92:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#   45 MET  HB-          45 MET  HA          3.00    (#     93:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:94      45 MET  HA          3.00    (#     94:20        Single  0.00, 0.00  )
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 730, 731, 737, 738, 739,
 &end
#
#    0 AMB  20-2:95      45 MET  HA          4.00    (#     95:20        Single  0.00, 0.00  )
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1078,1640,1641,1642,
 &end
#
#   45 MET  HG-          45 MET  HA          4.00    (#     96:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#    0 AMB  20-2:97      45 MET  HA          4.60    (#     97:20        Single  0.00, 0.00  )
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#  100 ILE  QG2          48 TRP  HA          5.00    (#    100:20        Unique  4.56, 5.15 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1589,1590,1591,
 &end
#
#   63 VAL  MGX          48 TRP  HA          6.00    (#    101:20        Unique  4.27, 6.02 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB+          48 TRP  HA          5.00    (#    102:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#  100 ILE  HG1-         48 TRP  HA          6.00    (#    103:20        Unique  1.84, 2.79 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1593,1594,
 &end
#
#   84 ASP  HB+          83 ALA  HA          6.00    (#    105:20        Unique  4.35, 4.97 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1359,1360,
 &end
#
#    0 AMB  20-2:106     83 ALA  HA          5.00    (#    106:20        Single  0.00, 0.00  )
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,1450,1451,
 &end
#
#   83 ALA  MB           83 ALA  HA          3.00    (#    108:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  20-2:109     83 ALA  HA          3.00    (#    109:20        Single  0.00, 0.00  )
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#    0 AMB  20-2:111     46 GLY  HA-         5.00    (#    111:20        Single  0.00, 0.00  )
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 igr2= 745, 746,
 &end
#
#   45 MET  ME           46 GLY  HA-         4.50    (#    113:20        Unique  2.34, 3.92 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739,
 igr2= 745, 746,
 &end
#
#  100 ILE  QG2          46 GLY  HA-         3.00    (#    114:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1589,1590,1591,
 igr2= 745, 746,
 &end
#
#  103 ILE  HB           46 GLY  HA-         4.80    (#    115:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 115, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 745, 746,
 &end
#
#    0 AMB  20-2:118     57 THR  HB          3.50    (#    118:20        Single  0.00, 0.00  )
 &rst
  ixpk= 118, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 950, 951, 952, 925, 926, 927,
 &end
#
#   55 THR  MG2          55 THR  HB          3.50    (#    119:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 925, 926, 927,
 &end
#
#   94 THR  MG2          94 THR  HB          3.00    (#    121:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1501,1502,1503,
 &end
#
#   39 THR  MG2          39 THR  HB          3.00    (#    122:20        Unique  2.26, 2.64 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 630, 631, 632,
 &end
#
#    0 AMB  20-2:123     62 THR  HB          3.00    (#    123:20        Single  0.00, 0.00  )
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1035,1036,1037,
 &end
#
#    0 AMB  20-2:124     62 THR  HB          5.50    (#    124:20        Single  0.00, 0.00  )
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1633,1634,1635,
 &end
#
#    9 THR  MG2           9 THR  HB          3.00    (#    125:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 130, 131, 132,
 &end
#
#    9 THR  HA            9 THR  HB          3.00    (#    126:20        Unique  2.57, 2.63 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB          109 THR  HA          4.50    (#    128:20        Unique  2.69, 3.81 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1760,1761,1762,
 &end
#
#   40 LEU  MDY         109 THR  HA          3.00    (#    129:20        Unique  1.91, 4.31 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2         109 THR  HA          4.00    (#    130:20        Unique  2.47, 3.20 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#  113 ILE  HG1+        113 ILE  HA          3.50    (#    131:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1776,1777,
 &end
#
#  113 ILE  HB          113 ILE  HA          3.50    (#    132:20        Unique  3.01, 3.01 A)
 &rst
  ixpk= 132, nxpk= 20, iat=1770,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:133    113 ILE  HA          3.00    (#    133:20        Single  0.00, 0.00  )
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1772,1773,1774,1545,1546,
 &end
#
#  113 ILE  HG1-        113 ILE  HA          3.00    (#    134:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#    9 THR  HB            9 THR  HA          3.00    (#    135:20        Unique  2.57, 2.63 A)
 &rst
  ixpk= 135, nxpk= 20, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 HIS  HB+           9 THR  HA          5.50    (#    136:20        Unique  4.30, 5.31 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 181, 182,
 &end
#
#   13 ARG  HG+           9 THR  HA          3.80    (#    137:20        Unique  1.92, 2.61 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 201, 202,
 &end
#
#   14 ILE  QG2          14 ILE  HA          4.00    (#    138:20        Unique  2.75, 3.65 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 224, 225, 226,
 &end
#
#   18 ILE  QD1          14 ILE  HA          4.50    (#    139:20        Unique  2.63, 3.83 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 294, 295, 296,
 &end
#
#   39 THR  MG2          39 THR  HA          3.00    (#    140:20        Unique  2.44, 3.23 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 630, 631, 632,
 &end
#
#   18 ILE  HG1+         18 ILE  HA          3.50    (#    141:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 291, 292,
 &end
#
#   18 ILE  HB           18 ILE  HA          3.50    (#    142:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ILE  QG2          18 ILE  HA          3.80    (#    143:20        Unique  2.36, 3.20 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 287, 288, 289,
 &end
#
#   70 PRO  HB+          70 PRO  HA          3.00    (#    146:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#    0 AMB  20-2:147     70 PRO  HA          4.00    (#    147:20        Single  0.00, 0.00  )
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1147,1148,1185,1186,
 &end
#
#   56 SER  HA           52 SER  HB+         7.50    (#    148:20        Unique  3.12, 4.62 A)
 &rst
  ixpk= 148, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2= 866, 867,
 &end
#
#    0 AMB  20-2:149      0 AMB  20-1:149    7.50    (#    149:20        Double  0.00, 0.00  )
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.74, r4=13.24,
 igr1= 925, 926, 927, 950, 951, 952,
 igr2= 866, 867, 866, 867,
 &end
#
#   52 SER  HA           52 SER  HB+         4.00    (#    150:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 150, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 866, 867,
 &end
#
#    3 SER  HA            3 SER  HB+         3.00    (#    153:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#   70 PRO  HB-          70 PRO  HA          3.00    (#    154:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#   70 PRO  HG+          70 PRO  HA          4.50    (#    155:20        Unique  3.85, 3.94 A)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#    0 AMB  20-2:156     16 THR  HA          6.00    (#    156:20        Single  0.00, 0.00  )
 &rst
  ixpk= 156, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   20 VAL  HB           16 THR  HA          5.30    (#    157:20        Unique  3.88, 4.71 A)
 &rst
  ixpk= 157, nxpk= 20, iat= 323, 254, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   16 THR  MG2          16 THR  HA          4.00    (#    158:20        Unique  2.53, 3.25 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 258, 259, 260,
 &end
#
#   56 SER  HA           56 SER  HB-         3.50    (#    159:20        Unique  2.27, 2.73 A)
 &rst
  ixpk= 159, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   56 SER  HA           56 SER  HB+         3.50    (#    160:20        Unique  2.27, 2.73 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   33 TYR  HB+          33 TYR  HA          3.00    (#    161:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HA          4.50    (#    162:20        Unique  2.99, 3.96 A)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1271,1272,1273,
 &end
#
#   33 TYR  HB-          33 TYR  HA          3.00    (#    163:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 522, 523,
 &end
#
#   68 MET  ME           33 TYR  HA          4.00    (#    164:20        Unique  2.33, 3.62 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   20 VAL  HB           20 VAL  HA          4.00    (#    166:20        Unique  2.68, 2.99 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:167     20 VAL  HA          4.00    (#    167:20        Single  0.00, 0.00  )
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  20-2:171      0 AMB  20-1:171    4.00    (#    171:20        Double  0.00, 0.00  )
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 igr2=1564,1565,1564,1565,
 &end
#
#   65 VAL  MGY          65 VAL  HA          3.00    (#    172:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:173     65 VAL  HA          3.00    (#    173:20        Single  0.00, 0.00  )
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   34 TYR  HB-          34 TYR  HA          3.50    (#    175:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#    0 AMB  20-2:176     34 TYR  HA          4.00    (#    176:20        Single  0.00, 0.00  )
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 604, 605, 616, 617,
 &end
#
#   34 TYR  HB+          34 TYR  HA          3.00    (#    177:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   85 ILE  QG2          85 ILE  HA          3.00    (#    179:20        Unique  2.20, 3.00 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1373,1374,1375,
 &end
#
#   85 ILE  HB           85 ILE  HA          3.00    (#    180:20        Unique  2.48, 2.50 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1+         85 ILE  HA          4.00    (#    181:20        Unique  3.68, 3.71 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1377,1378,
 &end
#
#   37 ASP  HB-          34 TYR  HA          4.00    (#    182:20        Unique  3.17, 4.51 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:183     85 ILE  HA          4.00    (#    183:20        Single  0.00, 0.00  )
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1377,1378,1349,1350,1351,
 &end
#
#   35 TYR  HB+          35 TYR  HA          3.00    (#    185:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#   57 THR  HB           57 THR  HA          3.00    (#    187:20        Unique  2.51, 2.73 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:188     57 THR  HA          4.40    (#    188:20        Single  0.00, 0.00  )
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 962, 844, 845,
 &end
#
#   58 ILE  HG1-         57 THR  HA          5.00    (#    189:20        Unique  4.27, 4.94 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#   57 THR  MG2          57 THR  HA          3.00    (#    190:20        Unique  2.40, 3.63 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 950, 951, 952,
 &end
#
#  121 ALA  MB          118 TYR  HA          3.00    (#    192:20        Unique  2.05, 3.34 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  118 TYR  HB-         118 TYR  HA          3.00    (#    193:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1855,
 &end
#
#  118 TYR  HB+         118 TYR  HA          3.00    (#    194:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1855,
 &end
#
#    0 AMB  20-2:195     32 TRP  HA          3.50    (#    195:20        Single  0.00, 0.00  )
 &rst
  ixpk= 195, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499, 564, 565,
 &end
#
#   18 ILE  QG2          32 TRP  HA          3.00    (#    196:20        Unique  1.93, 2.41 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 287, 288, 289,
 &end
#
#    0 AMB  20-2:197     32 TRP  HA          3.00    (#    197:20        Single  0.00, 0.00  )
 &rst
  ixpk= 197, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 498, 499, 564, 565,
 &end
#
#   35 TYR  HB-          35 TYR  HA          3.00    (#    198:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#   38 ASP  HB-          35 TYR  HA          4.00    (#    199:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB+          35 TYR  HA          3.50    (#    200:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   55 THR  MG2          55 THR  HA          4.00    (#    203:20        Unique  2.80, 3.68 A)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 925, 926, 927,
 &end
#
#  119 TRP  HB+         119 TRP  HA          3.00    (#    204:20        Unique  2.24, 2.57 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#    0 AMB  20-2:205     58 ILE  HA          3.00    (#    205:20        Single  0.00, 0.00  )
 &rst
  ixpk= 205, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 844, 845, 962,
 &end
#
#   58 ILE  QG2          58 ILE  HA          3.00    (#    206:20        Unique  2.60, 3.35 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  20-2:207    103 ILE  HA          3.00    (#    207:20        Single  0.00, 0.00  )
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1637,1638,1631,
 &end
#
#  103 ILE  HG1+        103 ILE  HA          3.00    (#    208:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1637,1638,
 &end
#
#    0 AMB  20-2:209      0 AMB  20-1:209    5.50    (#    209:20        Double  0.00, 0.00  )
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1650,1651, 809, 810,
 igr2=1629, 960,
 &end
#
#    0 AMB  20-2:210     28 ARG  HA          5.00    (#    210:20        Single  0.00, 0.00  )
 &rst
  ixpk= 210, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 464, 465, 466,1267,1268,
 &end
#
#    0 AMB  20-2:211     25 LYS  HA          4.50    (#    211:20        Single  0.00, 0.00  )
 &rst
  ixpk= 211, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 391, 392,1986,1987,
 &end
#
#    0 AMB  20-2:212     25 LYS  HA          4.00    (#    212:20        Single  0.00, 0.00  )
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 391, 392, 394, 395,
 &end
#
#    0 AMB  20-2:213      4 VAL  HA          6.00    (#    213:20        Single  0.00, 0.00  )
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:214      4 VAL  HA          3.00    (#    214:20        Single  0.00, 0.00  )
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  48,  49,  50,  52,  53,  54,1931,1932,
 &end
#
#    0 AMB  20-2:215      0 AMB  20-1:215    3.00    (#    215:20        Double  0.00, 0.00  )
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1633,1634,1635,1840,1841,1842,1844,1845,1846,
 igr2=1629,1562,
 &end
#
#   31 GLY  HA-          19 ILE  HA          3.50    (#    216:20        Unique  1.91, 2.96 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 490,
 &end
#
#   19 ILE  HB           19 ILE  HA          3.00    (#    217:20        Unique  2.53, 2.66 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QG2          19 ILE  HA          3.00    (#    218:20        Unique  2.03, 2.87 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   22 ALA  MB           19 ILE  HA          3.60    (#    219:20        Unique  2.84, 3.84 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 351, 352, 353,
 &end
#
#   14 ILE  QG2          10 ARG  HA          5.00    (#    220:20        Unique  4.08, 4.90 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 224, 225, 226,
 &end
#
#   17 GLU  HB-          13 ARG  HA          4.80    (#    221:20        Unique  3.81, 4.47 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 270, 271,
 &end
#
#   13 ARG  HG-          13 ARG  HA          3.80    (#    222:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 201, 202,
 &end
#
#    0 AMB  20-2:223      0 AMB  20-1:223    4.00    (#    223:20        Double  0.00, 0.00  )
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 425, 426, 241, 242,1271,1272,1273,
 igr2= 438, 196,
 &end
#
#   22 ALA  MB           28 ARG  HA          3.60    (#    224:20        Unique  2.03, 3.22 A)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 351, 352, 353,
 &end
#
#  117 LEU  HA           98 SER  HA          4.00    (#    225:20        Unique  4.17, 4.30 A)
 &rst
  ixpk= 225, nxpk= 20, iat=1833,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:226     98 SER  HA          4.00    (#    226:20        Single  0.00, 0.00  )
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,1562, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#    0 AMB  20-2:227     26 GLU  HA          3.00    (#    227:20        Single  0.00, 0.00  )
 &rst
  ixpk= 227, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#   14 ILE  HB           10 ARG  HA          4.60    (#    228:20        Unique  2.00, 2.60 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 222, 140, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   13 ARG  HD+          13 ARG  HA          4.50    (#    229:20        Unique  2.03, 4.03 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 204, 205,
 &end
#
#   12 HIS  HB+          12 HIS  HA          3.50    (#    231:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB-          12 HIS  HA          3.50    (#    232:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 181, 182,
 &end
#
#   11 GLU  HG-          11 GLU  HA          3.50    (#    233:20        Unique  2.11, 2.99 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 169, 170,
 &end
#
#   11 GLU  HG+          11 GLU  HA          4.00    (#    234:20        Unique  2.11, 2.99 A)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 169, 170,
 &end
#
#   14 ILE  QD1          11 GLU  HA          5.00    (#    235:20        Unique  4.57, 6.04 A)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  20-2:236      0 AMB  20-1:236    3.00    (#    236:20        Double  0.00, 0.00  )
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 244, 245, 169, 170, 428, 429,
 igr2= 239, 111, 423,
 &end
#
#    0 AMB  20-2:237      0 AMB  20-1:237    3.60    (#    237:20        Double  0.00, 0.00  )
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 224, 225, 226, 351, 352, 353,
 igr2= 239, 423,
 &end
#
#    6 ARG  HG+           8 GLU  HA          7.00    (#    238:20        Unique  5.52, 7.02 A)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  80,  81,
 &end
#
#    0 AMB  20-2:239     56 SER  HA          3.50    (#    239:20        Single  0.00, 0.00  )
 &rst
  ixpk= 239, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 937, 938, 937, 938,
 &end
#
#   27 GLU  HG-          27 GLU  HA          3.00    (#    243:20        Unique  3.16, 3.50 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 428, 429,
 &end
#
#    0 AMB  20-2:244      8 GLU  HA          3.00    (#    244:20        Single  0.00, 0.00  )
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 113, 114,  62,  63,
 &end
#
#   51 LYS  HG+          56 SER  HA          5.00    (#    246:20        Unique  1.97, 4.48 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 847, 848,
 &end
#
#  110 GLN  HG+         110 GLN  HA          3.80    (#    247:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HA          3.00    (#    248:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  105 VAL  MGY         110 GLN  HA          4.40    (#    249:20        Unique  2.74, 4.75 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:250    116 TRP  HA          4.00    (#    250:20        Single  0.00, 0.00  )
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1875,1876,1811,1812,
 &end
#
#  114 ALA  MB          111 GLU  HA          3.00    (#    251:20        Unique  2.73, 3.85 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#  111 GLU  HG+         111 GLU  HA          3.00    (#    253:20        Unique  2.51, 3.16 A)
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1748,1749,
 &end
#
#  111 GLU  HB+         111 GLU  HA          3.00    (#    254:20        Unique  2.50, 2.78 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#    0 AMB  20-2:257     36 LEU  HA          3.50    (#    257:20        Single  0.00, 0.00  )
 &rst
  ixpk= 257, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 585, 586,1760,1761,1762,
 &end
#
#    0 AMB  20-2:258      3 SER  HA          3.00    (#    258:20        Single  0.00, 0.00  )
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  35,  36,  35,  36,
 &end
#
#  109 THR  HB          107 ASP  HA          6.00    (#    262:20        Unique  5.33, 5.44 A)
 &rst
  ixpk= 262, nxpk= 20, iat=1714,1688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 VAL  MGX         107 ASP  HA          5.00    (#    263:20        Unique  4.71, 7.09 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  117 LEU  HB-         117 LEU  HA          3.00    (#    266:20        Unique  2.48, 2.78 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDY         117 LEU  HA          3.00    (#    267:20        Unique  1.97, 3.86 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:268    117 LEU  HA          3.00    (#    268:20        Single  0.00, 0.00  )
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1899,1900,1835,1836,
 &end
#
#   37 ASP  HB-          37 ASP  HA          3.00    (#    269:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#   37 ASP  HB-          37 ASP  HA          3.00    (#    270:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:271     37 ASP  HA          3.00    (#    271:20        Single  0.00, 0.00  )
 &rst
  ixpk= 271, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1123,1124, 604, 605,
 &end
#
#  108 ASP  HB+         108 ASP  HA          3.00    (#    272:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#    0 AMB  20-2:273      0 AMB  20-1:273    3.50    (#    273:20        Double  0.00, 0.00  )
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 904, 905, 904, 905,
 igr2= 899, 875,
 &end
#
#  106 ASP  HB+         107 ASP  HA          5.00    (#    274:20        Unique  4.46, 5.10 A)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1678,1679,
 &end
#
#  107 ASP  HB+         107 ASP  HA          3.50    (#    275:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1690,1691,
 &end
#
#  111 GLU  HG+         107 ASP  HA          3.70    (#    276:20        Unique  3.08, 3.69 A)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1748,1749,
 &end
#
#  110 GLN  HB+         107 ASP  HA          3.30    (#    277:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1728,1729,
 &end
#
#    0 AMB  20-2:278      0 AMB  20-1:278    3.00    (#    278:20        Double  0.00, 0.00  )
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 877, 878, 901, 902,
 igr2= 875, 899,
 &end
#
#   55 THR  MG2           0 AMB  20-1:279    6.00    (#    279:20        Single  0.00, 0.00  )
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 925, 926, 927,
 igr2= 875, 899,
 &end
#
#    0 AMB  20-2:281      0 AMB  20-1:281    4.00    (#    281:20        Double  0.00, 0.00  )
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 880, 881, 907, 908,
 igr2= 875, 899,
 &end
#
#   53 ARG  HD+          53 ARG  HA          4.00    (#    282:20        Unique  3.29, 4.08 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 883, 884,
 &end
#
#   71 ASP  HB+          71 ASP  HA          3.00    (#    284:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#   74 CYS  HB-          71 ASP  HA          5.60    (#    285:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1200,1201,
 &end
#
#   71 ASP  HB-          71 ASP  HA          3.00    (#    286:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#   74 CYS  HB-          71 ASP  HA          6.10    (#    287:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1200,1201,
 &end
#
#   52 SER  HB+          52 SER  HA          4.00    (#    289:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 866, 867,
 &end
#
#    0 AMB  20-2:290     97 LEU  HA          4.00    (#    290:20        Single  0.00, 0.00  )
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1589,1590,1591,1548,
 &end
#
#  100 ILE  HB           97 LEU  HA          5.00    (#    291:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1587,1543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:292     97 LEU  HA          3.00    (#    292:20        Single  0.00, 0.00  )
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1550,1551,1552,1554,1555,1556,1772,1773,1774,1545,
      1546,
 &end
#
#    0 AMB  20-2:293     97 LEU  HA          4.00    (#    293:20        Single  0.00, 0.00  )
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,1904,1905,1906,1908,1909,1910,
 &end
#
#   97 LEU  HB+          97 LEU  HA          3.50    (#    294:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1545,1546,
 &end
#
#   96 LYS  HG+          96 LYS  HA          4.00    (#    295:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   96 LYS  HB+          96 LYS  HA          3.50    (#    296:20        Unique  2.37, 2.77 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1523,1524,
 &end
#
#   96 LYS  HD+          96 LYS  HA          4.50    (#    297:20        Unique  1.55, 3.01 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1529,1530,
 &end
#
#    0 AMB  20-2:298      0 AMB  20-1:298    3.60    (#    298:20        Double  0.00, 0.00  )
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 364, 365, 273, 274,
 igr2= 359, 268,
 &end
#
#   22 ALA  MB           23 GLU  HA          4.60    (#    299:20        Unique  4.31, 5.11 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 351, 352, 353,
 &end
#
#    6 ARG  HB-           6 ARG  HA          3.00    (#    300:20        Unique  2.24, 2.46 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  77,  78,
 &end
#
#    0 AMB  20-2:301      0 AMB  20-1:301    3.60    (#    301:20        Double  0.00, 0.00  )
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 361, 362, 270, 271,
 igr2= 359, 268,
 &end
#
#   17 GLU  HB-          17 GLU  HA          3.00    (#    302:20        Unique  2.42, 2.73 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 270, 271,
 &end
#
#    0 AMB  20-2:303     17 GLU  HA          6.00    (#    303:20        Single  0.00, 0.00  )
 &rst
  ixpk= 303, nxpk= 20, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#  120 LEU  HB+         120 LEU  HA          3.00    (#    304:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#    0 AMB  20-2:305    120 LEU  HA          3.00    (#    305:20        Single  0.00, 0.00  )
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  HA          3.00    (#    306:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#    0 AMB  20-2:308     73 GLU  HA          3.60    (#    308:20        Single  0.00, 0.00  )
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1188,1189,1185,1186,
 &end
#
#   88 LYS  HB+          88 LYS  HA          3.00    (#    309:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1404,1405,
 &end
#
#    0 AMB  20-2:310      0 AMB  20-1:310    3.00    (#    310:20        Double  0.00, 0.00  )
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1404,1405, 844, 845,
 igr2=1402, 842,
 &end
#
#    0 AMB  20-2:311      0 AMB  20-1:311    3.50    (#    311:20        Double  0.00, 0.00  )
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 968, 969,1407,1408,
 igr2= 842,1402,
 &end
#
#   87 GLY  HA+          88 LYS  HA          4.80    (#    312:20        Unique  4.35, 4.46 A)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1395,1396,
 &end
#
#   51 LYS  HG+          51 LYS  HA          3.00    (#    313:20        Unique  2.03, 2.79 A)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 847, 848,
 &end
#
#   58 ILE  HG1+         51 LYS  HA          5.00    (#    314:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#   50 LYS  HG+          51 LYS  HA          6.00    (#    315:20        Unique  4.03, 4.80 A)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 825, 826,
 &end
#
#    0 AMB  20-2:316     75 LEU  HA          3.00    (#    316:20        Single  0.00, 0.00  )
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  HA          3.00    (#    317:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 LEU  HB+          75 LEU  HA          3.00    (#    318:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 LEU  MDX          75 LEU  HA          3.00    (#    319:20        Unique  1.99, 3.81 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   43 PRO  HB+          66 LEU  HA          3.50    (#    320:20        Unique  1.98, 3.05 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#    0 AMB  20-2:322     66 LEU  HA          4.00    (#    322:20        Single  0.00, 0.00  )
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 696, 697,1066,1067,
 &end
#
#   81 GLU  HB+          66 LEU  HA          5.00    (#    323:20        Unique  4.91, 5.69 A)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
#   66 LEU  HB-          66 LEU  HA          3.50    (#    324:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#    0 AMB  20-2:325     66 LEU  HA          3.00    (#    325:20        Single  0.00, 0.00  )
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 &end
#
#   38 ASP  HB-          38 ASP  HA          3.00    (#    326:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#   33 TYR  HB-          30 MET  HA          3.50    (#    328:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 523,
 &end
#
#   30 MET  ME           30 MET  HA          3.00    (#    329:20        Unique  1.99, 3.01 A)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  20-2:330      5 GLU  HA          5.50    (#    330:20        Single  0.00, 0.00  )
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  65,  66,  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HA          3.80    (#    331:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           5 GLU  HA          3.80    (#    332:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=  62,  63,
 &end
#
#   75 LEU  HB+          75 LEU  HA          3.00    (#    333:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#  109 THR  MG2          40 LEU  HA          3.00    (#    334:20        Unique  1.99, 3.60 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  MDX          40 LEU  HA          4.00    (#    335:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB+          40 LEU  HA          4.00    (#    336:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#   50 LYS  HB-          50 LYS  HA          3.00    (#    337:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:338     50 LYS  HA          4.00    (#    338:20        Single  0.00, 0.00  )
 &rst
  ixpk= 338, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 844, 845, 981, 982,1011,1012,
 &end
#
#   50 LYS  HD+          50 LYS  HA          5.00    (#    339:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 828, 829,
 &end
#
#   40 LEU  HB-          40 LEU  HA          3.50    (#    340:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 643,
 &end
#
#   40 LEU  MDY          40 LEU  HA          3.00    (#    341:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   49 LYS  HG-          49 LYS  HA          4.00    (#    342:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 804,
 &end
#
#   58 ILE  QG2          49 LYS  HA          3.00    (#    343:20        Unique  2.25, 3.41 A)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#   49 LYS  HB-          49 LYS  HA          3.00    (#    344:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#    0 AMB  20-2:345     49 LYS  HA          4.00    (#    345:20        Single  0.00, 0.00  )
 &rst
  ixpk= 345, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 803, 804, 757, 758,
 &end
#
#  117 LEU  MDX         114 ALA  HA          3.00    (#    346:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  114 ALA  MB          114 ALA  HA          3.00    (#    347:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#    0 AMB  20-2:348    114 ALA  HA          6.00    (#    348:20        Single  0.00, 0.00  )
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1833,1768,1799,1800,
 &end
#
#    0 AMB  20-2:349     50 LYS  HA          4.80    (#    349:20        Single  0.00, 0.00  )
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 850, 851, 844, 845,
 &end
#
#   50 LYS  HB+          50 LYS  HA          3.00    (#    350:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#   51 LYS  HA           50 LYS  HA          5.00    (#    351:20        Unique  4.33, 4.40 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 842, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   50 LYS  HE+          50 LYS  HA          4.50    (#    352:20        Unique  2.30, 3.82 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 831, 832,
 &end
#
#    0 AMB  20-2:353     21 ASP  HA          5.80    (#    353:20        Single  0.00, 0.00  )
 &rst
  ixpk= 353, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   20 VAL  HA           21 ASP  HA          6.00    (#    354:20        Unique  4.53, 4.56 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:355      1 MET  HA          3.00    (#    355:20        Single  0.00, 0.00  )
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=   8,   9,1980,1981,
 &end
#
#    0 AMB  20-2:356      1 MET  HA          4.00    (#    356:20        Single  0.00, 0.00  )
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  11,  12,  11,  12,
 &end
#
#    1 MET  HB+           1 MET  HA          3.00    (#    357:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#  103 ILE  QG2         104 ASP  HA          4.00    (#    358:20        Unique  3.80, 4.79 A)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  104 ASP  HB+         104 ASP  HA          3.00    (#    359:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1650,1651,
 &end
#
#  104 ASP  HB-         104 ASP  HA          3.00    (#    360:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1650,1651,
 &end
#
#  105 VAL  MGX         104 ASP  HA          5.80    (#    361:20        Unique  4.56, 5.63 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   72 ASP  HB+          72 ASP  HA          3.00    (#    363:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1173,1174,
 &end
#
#   72 ASP  HB-          72 ASP  HA          3.00    (#    364:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1173,1174,
 &end
#
#   29 ALA  MB           29 ALA  HA          3.00    (#    366:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   78 MET  ME           29 ALA  HA          3.50    (#    367:20        Unique  1.99, 3.03 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1271,1272,1273,
 &end
#
#   83 ALA  MB           89 ASP  HA          4.50    (#    368:20        Unique  3.37, 5.01 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1349,1350,1351,
 &end
#
#   89 ASP  HB+          89 ASP  HA          3.00    (#    369:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1426,1427,
 &end
#
#   59 GLU  HB+          59 GLU  HA          3.00    (#    370:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 981, 982,
 &end
#
#   41 GLU  HB-          41 GLU  HA          3.20    (#    371:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 661, 662,
 &end
#
#    0 AMB  20-2:372    121 ALA  HA          4.20    (#    372:20        Single  0.00, 0.00  )
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#    0 AMB  20-2:374    121 ALA  HA          5.50    (#    374:20        Single  0.00, 0.00  )
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  48,  49,  50,  52,  53,  54,1931,1932,
 &end
#
#   41 GLU  HG+          41 GLU  HA          4.70    (#    375:20        Unique  3.55, 3.75 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 664, 665,
 &end
#
#  124 TYR  HB-         124 TYR  HA          4.00    (#    376:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1959,1960,
 &end
#
#  122 ARG  HD+         122 ARG  HA          3.50    (#    378:20        Unique  2.10, 3.23 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1934,1935,
 &end
#
#    4 VAL  MGX         122 ARG  HA          4.00    (#    379:20        Unique  3.53, 5.59 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  122 ARG  HB-         122 ARG  HA          3.00    (#    380:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#  122 ARG  HB+         122 ARG  HA          3.00    (#    381:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#  106 ASP  HB+         106 ASP  HA          3.00    (#    382:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#  106 ASP  HB-         106 ASP  HA          3.00    (#    383:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#   46 GLY  HA+         102 ALA  HA          3.50    (#    385:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#  102 ALA  MB          102 ALA  HA          3.00    (#    388:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1621,1622,1623,
 &end
#
#    0 AMB  20-2:389    102 ALA  HA          5.00    (#    389:20        Single  0.00, 0.00  )
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1631, 760, 761,
 &end
#
#  100 ILE  QG2         102 ALA  HA          4.00    (#    390:20        Unique  3.60, 4.87 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#    0 AMB  20-2:391     22 ALA  HA          5.10    (#    391:20        Single  0.00, 0.00  )
 &rst
  ixpk= 391, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 428, 429, 339, 340,
 &end
#
#    0 AMB  20-2:393     22 ALA  HA          3.90    (#    393:20        Single  0.00, 0.00  )
 &rst
  ixpk= 393, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 428, 429, 364, 365,
 &end
#
#   27 GLU  HB+          22 ALA  HA          3.60    (#    394:20        Unique  1.99, 2.36 A)
 &rst
  ixpk= 394, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 425, 426,
 &end
#
#    0 AMB  20-2:395     22 ALA  HA          4.60    (#    395:20        Single  0.00, 0.00  )
 &rst
  ixpk= 395, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 359, 337,
 &end
#
#   22 ALA  MB           22 ALA  HA          3.60    (#    396:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 351, 352, 353,
 &end
#
#   27 GLU  HA           22 ALA  HA          5.60    (#    397:20        Unique  4.28, 4.49 A)
 &rst
  ixpk= 397, nxpk= 20, iat= 423, 349, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  20-2:398      2 ALA  HA          6.00    (#    398:20        Single  0.00, 0.00  )
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1926,1875,1876,
 &end
#
#   69 ALA  MB           69 ALA  HA          3.00    (#    402:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1137,1138,1139,
 &end
#
#   70 PRO  HD-          69 ALA  HA          3.00    (#    403:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD+          69 ALA  HA          3.00    (#    404:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1144,1145,
 &end
#
#    0 AMB  20-2:405     69 ALA  HA          5.60    (#    405:20        Single  0.00, 0.00  )
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1188,1189,1147,1148,
 &end
#
#   81 GLU  HG+          69 ALA  HA          3.50    (#    406:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1321,1322,
 &end
#
#   81 GLU  HG-          69 ALA  HA          3.00    (#    407:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1321,1322,
 &end
#
#   43 PRO  HB+          43 PRO  HD+         4.00    (#    412:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#   43 PRO  HG+          43 PRO  HD+         3.00    (#    413:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 696, 697,
 igr2= 693, 694,
 &end
#
#   43 PRO  HB+          43 PRO  HD-         4.00    (#    415:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#    0 AMB  20-2:416     43 PRO  HD-         3.00    (#    416:20        Single  0.00, 0.00  )
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 696, 697, 696, 697,
 igr2= 693, 694,
 &end
#
#   43 PRO  HB-          43 PRO  HD-         3.00    (#    417:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#   69 ALA  HA           70 PRO  HD-         3.00    (#    422:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 422, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1144,1145,
 &end
#
#   69 ALA  MB           70 PRO  HD-         3.00    (#    424:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1144,1145,
 &end
#
#   69 ALA  HA           70 PRO  HD+         3.00    (#    425:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 425, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:427      0 AMB  20-1:427    3.60    (#    427:20        Double  0.00, 0.00  )
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1188,1189,1147,1148,
 igr2=1144,1145,1144,1145,
 &end
#
#   70 PRO  HG-          70 PRO  HD+         3.00    (#    428:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1147,1148,
 igr2=1144,1145,
 &end
#
#   69 ALA  MB           70 PRO  HD+         3.00    (#    429:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1144,1145,
 &end
#
#   85 ILE  HG1-         86 GLY  HA+         5.50    (#    443:20        Unique  4.07, 5.18 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1377,1378,
 igr2=1388,1389,
 &end
#
#    0 AMB  20-2:444      0 AMB  20-1:444    5.80    (#    444:20        Double  0.00, 0.00  )
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.54, r4=11.04,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 igr2=1388,1389,1388,1389,
 &end
#
#    0 AMB  20-2:445      0 AMB  20-1:445    5.50    (#    445:20        Double  0.00, 0.00  )
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1371,1404,1405,
 igr2=1388,1389,1388,1389,
 &end
#
#   84 ASP  HB+          87 GLY  HA+         5.00    (#    448:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#   88 LYS  HG+          87 GLY  HA+         5.00    (#    449:20        Unique  3.13, 4.65 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1407,1408,
 igr2=1395,1396,
 &end
#
#   88 LYS  HG+          87 GLY  HA-         5.00    (#    450:20        Unique  3.13, 4.65 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1407,1408,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB-          87 GLY  HA-         4.00    (#    452:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:453     87 GLY  HA-         6.00    (#    453:20        Single  0.00, 0.00  )
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1413,1414,1359,1360,
 igr2=1395,1396,
 &end
#
#   88 LYS  HB-          87 GLY  HA-         6.00    (#    454:20        Unique  4.99, 5.73 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1404,1405,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB-          87 GLY  HA+         4.50    (#    456:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:457      0 AMB  20-1:457    6.00    (#    457:20        Double  0.00, 0.00  )
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 igr2= 745, 746, 745, 746,
 &end
#
#  102 ALA  HA           46 GLY  HA+         3.50    (#    458:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 458, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#  100 ILE  HG1+         46 GLY  HA+         5.00    (#    459:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1593,1594,
 igr2= 745, 746,
 &end
#
#  100 ILE  QG2          46 GLY  HA+         4.00    (#    460:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1589,1590,1591,
 igr2= 745, 746,
 &end
#
#  103 ILE  HB           46 GLY  HA+         4.00    (#    461:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 461, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 745, 746,
 &end
#
#  100 ILE  HG1+         46 GLY  HA+         5.00    (#    466:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1593,1594,
 igr2= 745, 746,
 &end
#
#    6 ARG  HG+           6 ARG  HD+         3.00    (#    470:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#    6 ARG  HB-           6 ARG  HD+         3.00    (#    471:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  77,  78,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:472      0 AMB  20-1:472    3.00    (#    472:20        Double  0.00, 0.00  )
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 130, 131, 132, 201, 202,
 igr2= 148, 149, 204, 205,
 &end
#
#    0 AMB  20-2:476      0 AMB  20-1:476    3.00    (#    476:20        Double  0.00, 0.00  )
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 877, 878, 981, 982,
 igr2= 883, 884, 883, 884,
 &end
#
#   50 LYS  HG+          53 ARG  HD+         6.00    (#    477:20        Unique  2.27, 5.59 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 825, 826,
 igr2= 883, 884,
 &end
#
#    0 AMB  20-2:478      0 AMB  20-1:478    5.00    (#    478:20        Double  0.00, 0.00  )
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 979, 923,
 igr2= 883, 884, 883, 884,
 &end
#
#   53 ARG  HG+          53 ARG  HD+         3.00    (#    479:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 880, 881,
 igr2= 883, 884,
 &end
#
#    6 ARG  HG+           6 ARG  HD-         3.00    (#    481:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#   66 LEU  HA           66 LEU  HB-         3.50    (#    483:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 483, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:484     66 LEU  HB-         3.00    (#    484:20        Single  0.00, 0.00  )
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 igr2=1094,1095,
 &end
#
#   66 LEU  HA           66 LEU  HB-         3.50    (#    485:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 485, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   66 LEU  HA           66 LEU  HB+         3.50    (#    486:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 486, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:487      0 AMB  20-1:487    3.00    (#    487:20        Double  0.00, 0.00  )
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 igr2=1094,1095,1094,1095,1094,1095,
 &end
#
#   53 ARG  HA           53 ARG  HD+         4.00    (#    488:20        Unique  3.29, 4.08 A)
 &rst
  ixpk= 488, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 883, 884,
 &end
#
#    0 AMB  20-2:494     24 ASP  HB-         4.00    (#    494:20        Single  0.00, 0.00  )
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 425, 426, 410, 411,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:495     24 ASP  HB-         6.10    (#    495:20        Single  0.00, 0.00  )
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 igr1= 361, 362, 388, 389, 477, 478,
 igr2= 376, 377,
 &end
#
#   96 LYS  HG-          96 LYS  HE+         3.00    (#    497:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#   76 LYS  HB+          76 LYS  HE+         3.80    (#    498:20        Unique  2.01, 3.23 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1230,1231,
 igr2=1239,1240,
 &end
#
#   96 LYS  HG-          96 LYS  HE-         3.00    (#    499:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#   38 ASP  HA           38 ASP  HB+         3.00    (#    500:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   35 TYR  HA           38 ASP  HB+         3.00    (#    501:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#    0 AMB  20-2:503      0 AMB  20-1:503    3.00    (#    503:20        Double  0.00, 0.00  )
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 602, 562,
 igr2= 604, 605, 616, 617,
 &end
#
#   26 GLU  HA           25 LYS  HE+         5.00    (#    504:20        Unique  2.92, 5.34 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 397, 398,
 &end
#
#   25 LYS  HD+          25 LYS  HE+         3.00    (#    507:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 394, 395,
 igr2= 397, 398,
 &end
#
#   25 LYS  HG-          25 LYS  HE+         3.00    (#    508:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 391, 392,
 igr2= 397, 398,
 &end
#
#    0 AMB  20-2:509      0 AMB  20-1:509    3.00    (#    509:20        Double  0.00, 0.00  )
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1523,1524,
 igr2=1532,1533,1532,1533,
 &end
#
#    0 AMB  20-2:510      0 AMB  20-1:510    3.00    (#    510:20        Double  0.00, 0.00  )
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1410,1411,
 igr2=1532,1533,1413,1414,
 &end
#
#    0 AMB  20-2:511      0 AMB  20-1:511    3.50    (#    511:20        Double  0.00, 0.00  )
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1233,1234,1526,1527,
 igr2=1239,1240,1532,1533,
 &end
#
#    0 AMB  20-2:513      0 AMB  20-1:513    3.00    (#    513:20        Double  0.00, 0.00  )
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1980,1981,1986,1987, 806, 807,
 igr2=1989,1990,1989,1990, 809, 810,
 &end
#
#  125 LYS  HG+         125 LYS  HE+         3.00    (#    514:20        Unique  2.01, 3.14 A)
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1989,1990,
 &end
#
#    0 AMB  20-2:515      0 AMB  20-1:515    6.00    (#    515:20        Double  0.00, 0.00  )
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.56, r4=13.06,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470, 825, 826,
 igr2=1359,1360,1359,1360, 809, 810,
 &end
#
#  106 ASP  HA          106 ASP  HB+         3.00    (#    517:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 517, nxpk= 20, iat=1676,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1678,1679,
 &end
#
#   47 LYS  HD+          47 LYS  HE+         3.00    (#    518:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 760, 761,
 igr2= 763, 764,
 &end
#
#   47 LYS  HG+          47 LYS  HE+         3.00    (#    519:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 763, 764,
 &end
#
#    0 AMB  20-2:520      0 AMB  20-1:520    6.00    (#    520:20        Double  0.00, 0.00  )
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1017,1018, 800, 801,
 igr2= 831, 832, 831, 832,
 &end
#
#   88 LYS  HB-          91 ASP  HB-         3.80    (#    521:20        Unique  1.93, 3.54 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1404,1405,
 igr2=1450,1451,
 &end
#
#   50 LYS  HB+          50 LYS  HE+         3.00    (#    522:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 822, 823,
 igr2= 831, 832,
 &end
#
#   50 LYS  HD+          50 LYS  HE+         3.00    (#    523:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 831, 832,
 &end
#
#   50 LYS  HD-          50 LYS  HE+         3.00    (#    524:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 831, 832,
 &end
#
#   50 LYS  HG+          50 LYS  HE+         3.60    (#    525:20        Unique  2.01, 3.37 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 825, 826,
 igr2= 831, 832,
 &end
#
#   75 LEU  MDY          75 LEU  HB-         3.00    (#    526:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#   75 LEU  HA           75 LEU  HB-         3.50    (#    527:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1211,1212,
 &end
#
#   75 LEU  HG           75 LEU  HB-         3.50    (#    528:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 528, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1211,1212,
 &end
#
#   97 LEU  HG           97 LEU  HB+         3.00    (#    530:20        Unique  2.22, 2.51 A)
 &rst
  ixpk= 530, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:532      0 AMB  20-1:532    4.00    (#    532:20        Double  0.00, 0.00  )
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,
 igr2=1545,1546,1545,1546,
 &end
#
#   75 LEU  HA           75 LEU  HB+         3.00    (#    534:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:535      0 AMB  20-1:535    3.00    (#    535:20        Double  0.00, 0.00  )
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1216,1217,1218,1220,1221,1222,1959,1960,
 igr2=1211,1212,1899,1900,
 &end
#
#    0 AMB  20-2:536      0 AMB  20-1:536    3.00    (#    536:20        Double  0.00, 0.00  )
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1899,1900,1899,1900,
 &end
#
#   97 LEU  HA           97 LEU  HB-         4.50    (#    537:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 537, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1545,1546,
 &end
#
#   97 LEU  MDY          97 LEU  HB-         4.00    (#    538:20        Unique  2.04, 3.43 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1550,1551,1552,1554,1555,1556,
 igr2=1545,1546,
 &end
#
#   97 LEU  HG           97 LEU  HB-         3.00    (#    540:20        Unique  2.22, 2.51 A)
 &rst
  ixpk= 540, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1545,1546,
 &end
#
#  117 LEU  HA          120 LEU  HB-         3.00    (#    541:20        Unique  2.22, 3.68 A)
 &rst
  ixpk= 541, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1899,1900,
 &end
#
#    0 AMB  20-2:542    120 LEU  HB-         3.00    (#    542:20        Single  0.00, 0.00  )
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1899,1900,
 &end
#
#   49 LYS  HB+          99 ASP  HB+         6.00    (#    548:20        Unique  3.78, 5.89 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 800, 801,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:550     99 ASP  HB-         6.00    (#    550:20        Single  0.00, 0.00  )
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1596,1597,1598,1513,1514,1515,
 igr2=1575,1576,
 &end
#
#   61 LYS  HB-          61 LYS  HE+         3.00    (#    552:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   61 LYS  HD+          61 LYS  HE+         3.00    (#    553:20        Unique  2.22, 2.68 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1020,1021,
 &end
#
#   61 LYS  HG-          61 LYS  HE+         3.00    (#    554:20        Unique  2.36, 3.43 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1014,1015,
 igr2=1020,1021,
 &end
#
#   63 VAL  MGY          61 LYS  HE+         5.00    (#    555:20        Unique  3.34, 5.51 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1020,1021,
 &end
#
#   61 LYS  HD+          61 LYS  HE-         3.00    (#    556:20        Unique  2.22, 2.68 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1020,1021,
 &end
#
#   61 LYS  HG-          61 LYS  HE-         3.40    (#    557:20        Unique  2.36, 3.43 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1014,1015,
 igr2=1020,1021,
 &end
#
#   63 VAL  MGY          61 LYS  HE-         5.00    (#    558:20        Unique  3.34, 5.51 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1020,1021,
 &end
#
#   61 LYS  HB-          61 LYS  HE-         3.00    (#    559:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   61 LYS  HB+          61 LYS  HE-         3.00    (#    560:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   87 GLY  HA+          84 ASP  HB-         5.00    (#    562:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1395,1396,
 igr2=1359,1360,
 &end
#
#   97 LEU  HA           97 LEU  HB-         3.50    (#    566:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 566, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#  105 VAL  MGY          44 PHE  HB+         3.00    (#    583:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 710, 711,
 &end
#
#   89 ASP  HA           89 ASP  HB+         3.00    (#    584:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 584, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1426,1427,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.00    (#    585:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 585, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1426,1427,
 &end
#
#   82 VAL  MGX          93 TYR  HB+         3.00    (#    592:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1478,1479,
 &end
#
#   82 VAL  MGX          93 TYR  HB-         4.00    (#    593:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1478,1479,
 &end
#
#    0 AMB  20-2:607      0 AMB  20-1:607    3.00    (#    607:20        Double  0.00, 0.00  )
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1688,  23,
 igr2=1690,1691,1934,1935,
 &end
#
#  107 ASP  HA          107 ASP  HB-         3.00    (#    608:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 608, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#    0 AMB  20-2:612      0 AMB  20-1:612    3.00    (#    612:20        Double  0.00, 0.00  )
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 583,1833,
 igr2= 585, 586,1835,1836,
 &end
#
#  114 ALA  HA          117 LEU  HB-         4.30    (#    613:20        Unique  1.98, 3.36 A)
 &rst
  ixpk= 613, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HB-         3.00    (#    614:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1835,1836,
 &end
#
#  117 LEU  HG          117 LEU  HB+         3.00    (#    618:20        Unique  2.40, 2.76 A)
 &rst
  ixpk= 618, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1835,1836,
 &end
#
#  114 ALA  HA          117 LEU  HB+         4.00    (#    619:20        Unique  1.98, 3.36 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  HA          117 LEU  HB+         3.50    (#    620:20        Unique  2.48, 2.78 A)
 &rst
  ixpk= 620, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HB+         3.00    (#    622:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1835,1836,
 &end
#
#    4 VAL  MGX         122 ARG  HD+         3.00    (#    627:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  48,  49,  50,  52,  53,  54,
 igr2=1934,1935,
 &end
#
#  111 GLU  HG+         107 ASP  HB-         4.50    (#    629:20        Unique  2.73, 4.08 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1748,1749,
 igr2=1690,1691,
 &end
#
#   36 LEU  HA           36 LEU  HB+         4.00    (#    630:20        Unique  2.35, 2.75 A)
 &rst
  ixpk= 630, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 585, 586,
 &end
#
#   36 LEU  MDX          36 LEU  HB+         3.80    (#    632:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#   36 LEU  MDY          36 LEU  HB+         3.00    (#    633:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:637      0 AMB  20-1:637    5.80    (#    637:20        Double  0.00, 0.00  )
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 igr2= 339, 340, 339, 340,
 &end
#
#   21 ASP  HA           21 ASP  HB+         3.00    (#    638:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#   21 ASP  HA           21 ASP  HB-         3.00    (#    639:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:640     21 ASP  HB-         5.80    (#    640:20        Single  0.00, 0.00  )
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 igr2= 339, 340,
 &end
#
#   46 GLY  HA+         103 ILE  HB          4.00    (#    650:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 745, 746,
 &end
#
#   45 MET  HB-         103 ILE  HB          4.80    (#    651:20        Unique  4.20, 4.52 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 730, 731,
 &end
#
#  102 ALA  HA          103 ILE  HB          5.00    (#    652:20        Unique  4.30, 4.45 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1619,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 ILE  HA          103 ILE  HB          3.00    (#    653:20        Unique  2.94, 2.99 A)
 &rst
  ixpk= 653, nxpk= 20, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 MET  HG-         103 ILE  HB          3.00    (#    654:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 733, 734,
 &end
#
#   45 MET  ME          103 ILE  HB          3.80    (#    655:20        Unique  1.91, 3.13 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 737, 738, 739,
 &end
#
#  103 ILE  HG1+        103 ILE  HB          3.00    (#    656:20        Unique  2.47, 2.79 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1637,1638,
 &end
#
#  103 ILE  QG2         103 ILE  HB          3.00    (#    657:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1633,1634,1635,
 &end
#
#  108 ASP  HA          108 ASP  HB-         3.00    (#    660:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 660, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#   39 THR  MG2         108 ASP  HB-         4.00    (#    661:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 630, 631, 632,
 igr2=1702,1703,
 &end
#
#   40 LEU  HA           40 LEU  HB+         3.50    (#    662:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:663      0 AMB  20-1:663    3.00    (#    663:20        Double  0.00, 0.00  )
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 647, 648, 649, 651, 652, 653, 645,
 igr2= 642, 643, 642, 643,
 &end
#
#    0 AMB  20-2:665     40 LEU  HB-         3.00    (#    665:20        Single  0.00, 0.00  )
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 647, 648, 649, 651, 652, 653, 645,
 igr2= 642, 643,
 &end
#
#   40 LEU  HA           40 LEU  HB-         3.50    (#    666:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 666, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:668     40 LEU  HB-         5.50    (#    668:20        Single  0.00, 0.00  )
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1716,1717,1718,1080,1081,1082,1084,1085,1086,1304,
      1305,1306,1308,1309,1310,
 igr2= 642, 643,
 &end
#
#   73 GLU  HG-          72 ASP  HB+         4.60    (#    670:20        Unique  2.77, 5.97 A)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1188,1189,
 igr2=1173,1174,
 &end
#
#   72 ASP  HA           72 ASP  HB+         3.00    (#    671:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 671, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1173,1174,
 &end
#
#   72 ASP  HA           72 ASP  HB-         3.00    (#    672:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 672, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1173,1174,
 &end
#
#   40 LEU  MDX          40 LEU  HB-         4.00    (#    677:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2= 642, 643,
 &end
#
#   35 TYR  HA           35 TYR  HB+         3.00    (#    680:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 680, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 564, 565,
 &end
#
#   18 ILE  QG2          35 TYR  HB-         5.00    (#    682:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 288, 289,
 igr2= 564, 565,
 &end
#
#  104 ASP  HA          104 ASP  HB+         3.00    (#    683:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 683, nxpk= 20, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1650,1651,
 &end
#
#  103 ILE  QG2         104 ASP  HB+         3.00    (#    685:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:688      0 AMB  20-1:688    3.00    (#    688:20        Double  0.00, 0.00  )
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1648, 602,
 igr2=1650,1651, 676, 677,
 &end
#
#  103 ILE  QG2         104 ASP  HB-         3.00    (#    690:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2=1650,1651,
 &end
#
#  103 ILE  HB          104 ASP  HB-         5.50    (#    691:20        Unique  3.76, 4.89 A)
 &rst
  ixpk= 691, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#   58 ILE  HA           58 ILE  HB          3.00    (#    704:20        Unique  2.96, 2.99 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ILE  HG1-         58 ILE  HB          3.00    (#    705:20        Unique  2.24, 2.49 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 968, 969,
 &end
#
#   58 ILE  HG1+         58 ILE  HB          3.00    (#    706:20        Unique  2.24, 2.49 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HB          3.00    (#    707:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#  100 ILE  HG1-        100 ILE  HB          3.00    (#    715:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#   97 LEU  HA          100 ILE  HB          4.00    (#    717:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 717, nxpk= 20, iat=1543,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HG1+        100 ILE  HB          3.00    (#    718:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HB          3.00    (#    719:20        Unique  2.38, 2.63 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HB          3.00    (#    720:20        Unique  2.06, 3.20 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1596,1597,1598,
 &end
#
#   14 ILE  HA           14 ILE  HB          4.00    (#    721:20        Unique  2.69, 2.81 A)
 &rst
  ixpk= 721, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  QD1          14 ILE  HB          3.00    (#    722:20        Unique  2.38, 3.24 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  HB          3.00    (#    723:20        Unique  2.32, 2.63 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 224, 225, 226,
 &end
#
#   11 GLU  HA           14 ILE  HB          5.00    (#    724:20        Unique  3.50, 4.19 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 164, 222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 ASP  HA           71 ASP  HB+         3.00    (#    725:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 725, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1161,1162,
 &end
#
#   71 ASP  HA           71 ASP  HB-         3.00    (#    727:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 727, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1161,1162,
 &end
#
#  113 ILE  QG2         113 ILE  HB          3.00    (#    736:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  HG1-        113 ILE  HB          3.00    (#    737:20        Unique  2.66, 2.84 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#  113 ILE  QD1         113 ILE  HB          3.00    (#    738:20        Unique  2.03, 2.89 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1779,1780,1781,
 &end
#
#   85 ILE  HA           85 ILE  HB          3.00    (#    742:20        Unique  2.48, 2.50 A)
 &rst
  ixpk= 742, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1-         85 ILE  HB          3.00    (#    743:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         85 ILE  HB          3.00    (#    744:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  QG2          85 ILE  HB          3.00    (#    745:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1373,1374,1375,
 &end
#
#   14 ILE  HA           18 ILE  HB          4.00    (#    750:20        Unique  2.94, 3.68 A)
 &rst
  ixpk= 750, nxpk= 20, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ILE  HG1+         18 ILE  HB          4.00    (#    751:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 291, 292,
 &end
#
#   18 ILE  QD1          18 ILE  HB          4.00    (#    752:20        Unique  2.35, 3.23 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  HG1-         18 ILE  HB          3.50    (#    753:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 291, 292,
 &end
#
#   18 ILE  QG2          18 ILE  HB          3.00    (#    754:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 287, 288, 289,
 &end
#
#   34 TYR  HA           34 TYR  HB+         3.00    (#    757:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   34 TYR  HA           34 TYR  HB-         3.50    (#    760:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#    0 AMB  20-2:762      0 AMB  20-1:762    3.00    (#    762:20        Double  0.00, 0.00  )
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 394, 395,1211,1212,
 igr2= 413, 414, 413, 414,
 &end
#
#   25 LYS  HG-          26 GLU  HG+         3.00    (#    763:20        Unique  2.09, 3.53 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 391, 392,
 igr2= 413, 414,
 &end
#
#   19 ILE  QG2          19 ILE  HB          3.00    (#    764:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   25 LYS  HE+          26 GLU  HG+         4.00    (#    766:20        Unique  2.59, 4.41 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 397, 398,
 igr2= 413, 414,
 &end
#
#   26 GLU  HA           26 GLU  HG+         3.00    (#    767:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   19 ILE  HG1-         19 ILE  HB          3.00    (#    768:20        Unique  2.25, 2.60 A)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 310, 311,
 &end
#
#   22 ALA  MB           19 ILE  HB          3.60    (#    769:20        Unique  1.96, 3.00 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 351, 352, 353,
 &end
#
#   47 LYS  HE+          60 GLU  HG+         5.00    (#    770:20        Unique  3.83, 6.36 A)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 763, 764,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:771      0 AMB  20-1:771    5.00    (#    771:20        Double  0.00, 0.00  )
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 803, 804, 822, 823,
 igr2= 999,1000, 999,1000,
 &end
#
#   66 LEU  HA           64 GLU  HG+         5.00    (#    772:20        Unique  4.13, 4.68 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1066,1067,
 &end
#
#   47 LYS  HE+          60 GLU  HG-         5.00    (#    773:20        Unique  3.83, 6.36 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 763, 764,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:774      0 AMB  20-1:774    5.30    (#    774:20        Double  0.00, 0.00  )
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1= 803, 804,1094,1095,1377,1378,
 igr2= 999,1000,1066,1067,
 &end
#
#   22 ALA  MB           27 GLU  HG-         5.60    (#    777:20        Unique  4.16, 5.32 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 351, 352, 353,
 igr2= 428, 429,
 &end
#
#   27 GLU  HA           27 GLU  HG-         3.00    (#    778:20        Unique  3.16, 3.50 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:779     27 GLU  HG-         3.00    (#    779:20        Single  0.00, 0.00  )
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 425, 426, 410, 411,
 igr2= 428, 429,
 &end
#
#   47 LYS  HG+          60 GLU  HG+         4.00    (#    781:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 757, 758,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:782      0 AMB  20-1:782    3.00    (#    782:20        Double  0.00, 0.00  )
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1063,1064, 754, 755,
 igr2=1066,1067, 999,1000,
 &end
#
#    0 AMB  20-2:783      0 AMB  20-1:783    3.00    (#    783:20        Double  0.00, 0.00  )
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
      1100,1101,1103,1104,1105,
 igr2= 999,1000,1066,1067,1066,1067,
 &end
#
#    0 AMB  20-2:784      0 AMB  20-1:784    3.00    (#    784:20        Double  0.00, 0.00  )
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
      1100,1101,1103,1104,1105,
 igr2= 999,1000,1066,1067,
 &end
#
#   24 ASP  HB+          27 GLU  HG+         3.80    (#    786:20        Unique  1.99, 2.89 A)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 376, 377,
 igr2= 428, 429,
 &end
#
#   69 ALA  HA           81 GLU  HG+         4.00    (#    788:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 788, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   70 PRO  HD-          81 GLU  HG+         5.50    (#    789:20        Unique  3.64, 4.92 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1144,1145,
 igr2=1321,1322,
 &end
#
#   69 ALA  HA           81 GLU  HG-         3.00    (#    790:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 790, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:791     81 GLU  HG-         4.40    (#    791:20        Single  0.00, 0.00  )
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1321,1322,
 &end
#
#   69 ALA  MB           81 GLU  HG-         4.00    (#    792:20        Unique  2.02, 4.56 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1137,1138,1139,
 igr2=1321,1322,
 &end
#
#   14 ILE  QG2          15 GLU  HG+         5.00    (#    795:20        Unique  5.53, 6.58 A)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 224, 225, 226,
 igr2= 244, 245,
 &end
#
#   12 HIS  HA           15 GLU  HG+         4.50    (#    796:20        Unique  3.42, 4.24 A)
 &rst
  ixpk= 796, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 244, 245,
 &end
#
#   15 GLU  HA           15 GLU  HG+         4.00    (#    797:20        Unique  2.80, 3.30 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 244, 245,
 &end
#
#   15 GLU  HB-          15 GLU  HG+         3.00    (#    798:20        Unique  2.28, 2.72 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 241, 242,
 igr2= 244, 245,
 &end
#
#   16 THR  MG2          15 GLU  HG+         3.00    (#    799:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 258, 259, 260,
 igr2= 244, 245,
 &end
#
#    4 VAL  HA            5 GLU  HG-         7.00    (#    800:20        Unique  4.59, 5.75 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  65,  66,
 &end
#
#    5 GLU  HA            5 GLU  HG-         5.00    (#    801:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HG-         4.00    (#    803:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  62,  63,
 igr2=  65,  66,
 &end
#
#    5 GLU  HB-           5 GLU  HG-         4.00    (#    804:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  62,  63,
 igr2=  65,  66,
 &end
#
#    5 GLU  HA            5 GLU  HG+         5.00    (#    805:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 805, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    3 SER  HB+           5 GLU  HG+         7.00    (#    806:20        Unique  3.75, 6.05 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  35,  36,
 igr2=  65,  66,
 &end
#
#    0 AMB  20-2:807      0 AMB  20-1:807    4.10    (#    807:20        Double  0.00, 0.00  )
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 359, 337,
 igr2= 364, 365, 364, 365,
 &end
#
#    0 AMB  20-2:809      0 AMB  20-1:809    4.10    (#    809:20        Double  0.00, 0.00  )
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 361, 362,  62,  63,
 igr2= 364, 365,  65,  66,
 &end
#
#   16 THR  MG2          15 GLU  HG-         3.00    (#    810:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 258, 259, 260,
 igr2= 244, 245,
 &end
#
#    0 AMB  20-2:812      0 AMB  20-1:812    3.60    (#    812:20        Double  0.00, 0.00  )
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 359, 268,
 igr2= 364, 365, 273, 274,
 &end
#
#   63 VAL  MGY          63 VAL  HB          3.00    (#    814:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          63 VAL  HB          3.00    (#    815:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:824      0 AMB  20-1:824    3.60    (#    824:20        Double  0.00, 0.00  )
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1183, 979,
 igr2=1188,1189, 984, 985,
 &end
#
#    0 AMB  20-2:825      0 AMB  20-1:825    3.00    (#    825:20        Double  0.00, 0.00  )
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 877, 878, 981, 982, 270, 271,
 igr2= 984, 985, 984, 985, 273, 274,
 &end
#
#    0 AMB  20-2:826      0 AMB  20-1:826    4.10    (#    826:20        Double  0.00, 0.00  )
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1137,1138,1139, 925, 926, 927,
 igr2=1188,1189, 984, 985,
 &end
#
#    0 AMB  20-2:828      0 AMB  20-1:828    4.00    (#    828:20        Double  0.00, 0.00  )
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 864, 268,
 igr2= 984, 985, 273, 274,
 &end
#
#    0 AMB  20-2:829     59 GLU  HG-         5.00    (#    829:20        Single  0.00, 0.00  )
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 925, 926, 927, 950, 951, 952,
 igr2= 984, 985,
 &end
#
#   59 GLU  HA           59 GLU  HG-         3.80    (#    830:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 830, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:831     59 GLU  HG-         3.00    (#    831:20        Single  0.00, 0.00  )
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 877, 878, 981, 982,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:836      0 AMB  20-1:836    4.80    (#    836:20        Double  0.00, 0.00  )
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
 igr1=1099,1100,1101,1103,1104,1105,1097,
 igr2= 699, 700, 699, 700,
 &end
#
#   43 PRO  HD+          43 PRO  HB+         4.50    (#    837:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   41 GLU  HA           41 GLU  HG+         4.20    (#    839:20        Unique  3.55, 3.75 A)
 &rst
  ixpk= 839, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 664, 665,
 &end
#
#   41 GLU  HB-          41 GLU  HG+         3.20    (#    841:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#  109 THR  MG2          41 GLU  HG+         4.20    (#    843:20        Unique  1.97, 4.45 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1716,1717,1718,
 igr2= 664, 665,
 &end
#
#   52 SER  HB+          59 GLU  HG+         6.00    (#    844:20        Unique  2.22, 5.53 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 866, 867,
 igr2= 984, 985,
 &end
#
#   63 VAL  MGY          61 LYS  HB-         3.00    (#    846:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#  125 LYS  HG+         125 LYS  HB+         3.00    (#    848:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1980,1981,
 &end
#
#  125 LYS  HG+         125 LYS  HB-         3.00    (#    850:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1980,1981,
 &end
#
#   48 TRP  HB+          61 LYS  HB-         3.50    (#    852:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#   61 LYS  HE-          61 LYS  HB-         3.50    (#    853:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1020,1021,
 igr2=1011,1012,
 &end
#
#   61 LYS  HD+          61 LYS  HB-         3.00    (#    855:20        Unique  2.34, 3.34 A)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1011,1012,
 &end
#
#   61 LYS  HG-          61 LYS  HB-         3.00    (#    856:20        Unique  2.23, 2.70 A)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1014,1015,
 igr2=1011,1012,
 &end
#
#   84 ASP  HB-          61 LYS  HB-         6.40    (#    857:20        Unique  5.49, 7.00 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1=1359,1360,
 igr2=1011,1012,
 &end
#
#   48 TRP  HB+          61 LYS  HB+         3.80    (#    860:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#   61 LYS  HE-          61 LYS  HB+         3.50    (#    861:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1020,1021,
 igr2=1011,1012,
 &end
#
#   61 LYS  HG-          61 LYS  HB+         3.00    (#    864:20        Unique  2.23, 2.70 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1014,1015,
 igr2=1011,1012,
 &end
#
#   63 VAL  MGY          61 LYS  HB+         4.80    (#    865:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#   50 LYS  HG+          61 LYS  HB+         6.00    (#    866:20        Unique  5.65, 6.67 A)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 825, 826,
 igr2=1011,1012,
 &end
#
#   63 VAL  MGX          61 LYS  HB+         4.00    (#    873:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#    8 GLU  HA            8 GLU  HG+         4.00    (#    876:20        Unique  2.61, 3.15 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 116, 117,
 &end
#
#    8 GLU  HB-           8 GLU  HG+         3.00    (#    877:20        Unique  2.21, 2.69 A)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 113, 114,
 igr2= 116, 117,
 &end
#
#   63 VAL  MGY          82 VAL  HB          4.00    (#    878:20        Unique  2.00, 4.44 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:879      0 AMB  20-1:879    4.00    (#    879:20        Double  0.00, 0.00  )
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 241, 242, 113, 114,
 igr2= 169, 170, 169, 170,
 &end
#
#    8 GLU  HA           11 GLU  HG-         4.00    (#    880:20        Unique  3.05, 4.36 A)
 &rst
  ixpk= 880, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 169, 170,
 &end
#
#    0 AMB  20-2:882     82 VAL  HB          3.00    (#    882:20        Single  0.00, 0.00  )
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   82 VAL  MGX          82 VAL  HB          3.00    (#    883:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:884      0 AMB  20-1:884    4.00    (#    884:20        Double  0.00, 0.00  )
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 590, 591, 592, 594, 595, 596,1267,1268,
 igr2=1264,1265,1264,1265,
 &end
#
#    8 GLU  HA           11 GLU  HG+         5.00    (#    892:20        Unique  3.05, 4.36 A)
 &rst
  ixpk= 892, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 169, 170,
 &end
#
#   76 LYS  HG+          76 LYS  HB+         3.00    (#    893:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,
 igr2=1230,1231,
 &end
#
#   76 LYS  HE+          76 LYS  HB+         4.00    (#    894:20        Unique  2.01, 3.23 A)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1239,1240,
 igr2=1230,1231,
 &end
#
#   80 VAL  MGX          80 VAL  HB          3.00    (#    895:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#  109 THR  HB          105 VAL  HB          4.50    (#    896:20        Unique  1.96, 2.17 A)
 &rst
  ixpk= 896, nxpk= 20, iat=1714,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 VAL  MGY         105 VAL  HB          3.00    (#    900:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   76 LYS  HG+          76 LYS  HB-         3.00    (#    902:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,
 igr2=1230,1231,
 &end
#
#   47 LYS  HE+          47 LYS  HB+         4.00    (#    903:20        Unique  2.79, 4.20 A)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 763, 764,
 igr2= 754, 755,
 &end
#
#   46 GLY  HA+          47 LYS  HB-         5.50    (#    906:20        Unique  4.12, 5.11 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 745, 746,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:907     47 LYS  HB-         3.30    (#    907:20        Single  0.00, 0.00  )
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1606,1607, 999,1000,
 igr2= 754, 755,
 &end
#
#   47 LYS  HG+          47 LYS  HB-         3.00    (#    908:20        Unique  2.30, 2.56 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#    4 VAL  HA            4 VAL  HB          3.00    (#    920:20        Unique  2.44, 2.87 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  44,  46, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  121 ALA  MB            4 VAL  HB          5.70    (#    922:20        Unique  4.39, 6.30 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1918,1919,1920,
 &end
#
#    0 AMB  20-2:923      4 VAL  HB          3.00    (#    923:20        Single  0.00, 0.00  )
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  48,  49,  50,  52,  53,  54,1931,1932,
 &end
#
#    0 AMB  20-2:924     92 VAL  HB          3.00    (#    924:20        Single  0.00, 0.00  )
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   30 MET  HA           30 MET  HB+         4.00    (#    934:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 934, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 474, 475,
 &end
#
#   30 MET  ME           30 MET  HB+         4.00    (#    935:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 481, 482, 483,
 igr2= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HB-         4.00    (#    936:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 936, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 474, 475,
 &end
#
#  110 GLN  HA          110 GLN  HG+         3.00    (#    937:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 937, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HG+         3.00    (#    938:20        Unique  2.23, 2.56 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1728,1729,
 igr2=1731,1732,
 &end
#
#  102 ALA  MB          110 GLN  HG+         4.00    (#    939:20        Unique  1.97, 4.17 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1621,1622,1623,
 igr2=1731,1732,
 &end
#
#  105 VAL  MGX         110 GLN  HG+         3.00    (#    940:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:941      0 AMB  20-1:941    5.00    (#    941:20        Double  0.00, 0.00  )
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1688,1629,
 igr2=1731,1732,1731,1732,
 &end
#
#  114 ALA  MB          110 GLN  HG+         5.00    (#    942:20        Unique  4.13, 5.89 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1789,1790,1791,
 igr2=1731,1732,
 &end
#
#   50 LYS  HA           50 LYS  HB+         3.00    (#    943:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 943, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   50 LYS  HD+          50 LYS  HB+         3.00    (#    945:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 822, 823,
 &end
#
#   50 LYS  HA           50 LYS  HB-         3.00    (#    946:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 946, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   50 LYS  HE+          50 LYS  HB-         4.40    (#    947:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 831, 832,
 igr2= 822, 823,
 &end
#
#   30 MET  HG+          30 MET  HB+         3.00    (#    952:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG-          30 MET  HB+         3.00    (#    953:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG+          30 MET  HB-         3.00    (#    955:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG-          30 MET  HB-         3.00    (#    956:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  ME           30 MET  HB-         4.00    (#    957:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 481, 482, 483,
 igr2= 474, 475,
 &end
#
#   50 LYS  HE+          50 LYS  HB+         4.00    (#    962:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 831, 832,
 igr2= 822, 823,
 &end
#
#  125 LYS  HB-         124 TYR  HB-         7.50    (#    964:20        Unique  3.84, 5.90 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1=1980,1981,
 igr2=1959,1960,
 &end
#
#   85 ILE  QD1          45 MET  HB-         4.00    (#    967:20        Unique  2.25, 3.83 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 730, 731,
 &end
#
#   45 MET  HG+          45 MET  HB-         3.00    (#    968:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#    0 AMB  20-2:969     45 MET  HB-         4.80    (#    969:20        Single  0.00, 0.00  )
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1631, 760, 761,
 igr2= 730, 731,
 &end
#
#    0 AMB  20-2:970      0 AMB  20-1:970    5.50    (#    970:20        Double  0.00, 0.00  )
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1035,1036,1037,1377,1378,
 igr2= 730, 731, 730, 731,
 &end
#
#   54 LYS  HA           54 LYS  HB+         3.00    (#    972:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 972, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 901, 902,
 &end
#
#   55 THR  MG2          54 LYS  HB+         5.00    (#    976:20        Unique  3.31, 5.13 A)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 925, 926, 927,
 igr2= 901, 902,
 &end
#
#   51 LYS  HG+          51 LYS  HB+         3.00    (#    977:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#   51 LYS  HA           51 LYS  HB-         3.00    (#    978:20        Unique  2.29, 2.81 A)
 &rst
  ixpk= 978, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#   51 LYS  HG+          51 LYS  HB-         3.00    (#    979:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:980     51 LYS  HB-         6.00    (#    980:20        Single  0.00, 0.00  )
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 937, 938, 937, 938, 820,
 igr2= 844, 845,
 &end
#
#   58 ILE  HG1+         51 LYS  HB-         6.00    (#    981:20        Unique  2.12, 5.84 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 968, 969,
 igr2= 844, 845,
 &end
#
#   45 MET  HG-          45 MET  HB-         3.00    (#    986:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   45 MET  HG+          45 MET  HB+         3.00    (#    987:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   45 MET  HG-          45 MET  HB+         3.00    (#    988:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   25 LYS  HE+          25 LYS  HB+         4.00    (#    991:20        Unique  1.95, 3.92 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 397, 398,
 igr2= 388, 389,
 &end
#
#    0 AMB  20-2:992      0 AMB  20-1:992    3.00    (#    992:20        Double  0.00, 0.00  )
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 391, 392,1980,1981,
 igr2= 388, 389,   8,   9,
 &end
#
#   88 LYS  HA           88 LYS  HB+         3.00    (#    993:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 993, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1404,1405,
 &end
#
#   88 LYS  HE+          88 LYS  HB+         3.70    (#    994:20        Unique  2.00, 3.52 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1413,1414,
 igr2=1404,1405,
 &end
#
#   91 ASP  HB+          88 LYS  HB+         4.00    (#    995:20        Unique  1.93, 3.54 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1450,1451,
 igr2=1404,1405,
 &end
#
#   88 LYS  HG+          88 LYS  HB+         3.00    (#    996:20        Unique  2.22, 2.60 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1407,1408,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:997      0 AMB  20-1:997    3.00    (#    997:20        Double  0.00, 0.00  )
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 904, 905,1407,1408,
 igr2= 901, 902,1404,1405,
 &end
#
#   54 LYS  HE+          54 LYS  HB-         3.80    (#    998:20        Unique  2.09, 3.36 A)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 910, 911,
 igr2= 901, 902,
 &end
#
#   91 ASP  HB+          88 LYS  HB-         3.00    (#    999:20        Unique  1.93, 3.54 A)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1450,1451,
 igr2=1404,1405,
 &end
#
#   88 LYS  HA           88 LYS  HB-         3.00    (#   1000:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1404,1405,
 &end
#
#   45 MET  HB-          45 MET  HG+         3.00    (#   1005:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   3.60    (#   1006:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 730, 731, 737, 738, 739,
 igr2= 733, 734, 733, 734,
 &end
#
#  103 ILE  HB           45 MET  HG+         3.50    (#   1007:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 733, 734,
 &end
#
#  103 ILE  QG2          45 MET  HG+         3.40    (#   1009:20        Unique  2.05, 3.48 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1633,1634,1635,
 igr2= 733, 734,
 &end
#
#  103 ILE  HB           45 MET  HG-         3.00    (#   1010:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#   44 PHE  HB-          45 MET  HG-         7.00    (#   1011:20        Unique  5.25, 6.48 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 710, 711,
 igr2= 733, 734,
 &end
#
#   45 MET  HB-          45 MET  HG-         3.00    (#   1014:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:1015    45 MET  HG-         3.00    (#   1015:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 730, 731, 737, 738, 739,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:1016    45 MET  HG-         5.00    (#   1016:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1035,1036,1037,1377,1378,
 igr2= 733, 734,
 &end
#
#  103 ILE  QG2          45 MET  HG-         3.00    (#   1017:20        Unique  2.05, 3.48 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2= 733, 734,
 &end
#
#   23 GLU  HA           23 GLU  HB+         3.60    (#   1022:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 1022, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 361, 362,
 &end
#
#   22 ALA  HA           23 GLU  HB+         6.40    (#   1023:20        Unique  4.60, 5.26 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 361, 362,
 &end
#
#   23 GLU  HA           23 GLU  HB-         3.60    (#   1025:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 361, 362,
 &end
#
#    0 AMB  20-2:1026     0 AMB  20-1:1026   3.40    (#   1026:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1589,1590,1591, 964, 965, 966,
 igr2=1523,1524, 800, 801,
 &end
#
#   49 LYS  HA           49 LYS  HB-         3.00    (#   1030:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#   49 LYS  HG-          49 LYS  HB-         3.00    (#   1031:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   58 ILE  QG2          49 LYS  HB-         3.00    (#   1032:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 964, 965, 966,
 igr2= 800, 801,
 &end
#
#    1 MET  HA            1 MET  HG-         4.00    (#   1034:20        Unique  2.30, 3.29 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  11,  12,
 &end
#
#   23 GLU  HG+          23 GLU  HB+         3.60    (#   1036:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 364, 365,
 igr2= 361, 362,
 &end
#
#   85 ILE  QG2          64 GLU  HB+         3.00    (#   1038:20        Unique  2.06, 3.00 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1373,1374,1375,
 igr2=1063,1064,
 &end
#
#   78 MET  ME           78 MET  HG+         4.00    (#   1040:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1267,1268,
 &end
#
#   78 MET  HB-          78 MET  HG+         3.00    (#   1041:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   78 MET  HB-          78 MET  HG-         3.00    (#   1043:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#    1 MET  HA            1 MET  HG+         4.00    (#   1044:20        Unique  2.30, 3.29 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:1049     0 AMB  20-1:1049   4.00    (#   1049:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1589,1590,1591,
 igr2=1063,1064,1063,1064,1606,1607,
 &end
#
#    0 AMB  20-2:1051    64 GLU  HB-         3.50    (#   1051:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 igr2=1063,1064,
 &end
#
#   85 ILE  QG2          64 GLU  HB-         3.00    (#   1052:20        Unique  2.06, 3.00 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1373,1374,1375,
 igr2=1063,1064,
 &end
#
#   78 MET  ME           78 MET  HG-         4.00    (#   1053:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1267,1268,
 &end
#
#   49 LYS  HE+         101 GLU  HB+         5.00    (#   1056:20        Unique  3.32, 5.00 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 809, 810,
 igr2=1606,1607,
 &end
#
#   49 LYS  HE+         101 GLU  HB-         5.00    (#   1057:20        Unique  3.32, 5.00 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 809, 810,
 igr2=1606,1607,
 &end
#
#   47 LYS  HE+          60 GLU  HB+         4.00    (#   1059:20        Unique  1.93, 5.20 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 763, 764,
 igr2= 996, 997,
 &end
#
#   47 LYS  HG+          60 GLU  HB+         3.00    (#   1060:20        Unique  1.84, 3.26 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 996, 997,
 &end
#
#   50 LYS  HB+          59 GLU  HB+         3.80    (#   1061:20        Unique  1.93, 3.36 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 822, 823,
 igr2= 981, 982,
 &end
#
#   59 GLU  HA           59 GLU  HB+         3.00    (#   1062:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 1062, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   59 GLU  HA           59 GLU  HB-         3.00    (#   1063:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 1063, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   63 VAL  MGX          48 TRP  HB+         3.30    (#   1067:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB+         5.00    (#   1069:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB-         5.00    (#   1071:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGX          48 TRP  HB-         4.00    (#   1072:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB+         5.00    (#   1079:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#  100 ILE  QD1          48 TRP  HB+         4.00    (#   1080:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1596,1597,1598,
 igr2= 776, 777,
 &end
#
#  100 ILE  QD1          48 TRP  HB-         5.00    (#   1082:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1596,1597,1598,
 igr2= 776, 777,
 &end
#
#    6 ARG  HD+           6 ARG  HB+         3.00    (#   1083:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD-           6 ARG  HB+         4.00    (#   1084:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HG+           6 ARG  HB-         3.00    (#   1085:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  77,  78,
 &end
#
#    6 ARG  HA            6 ARG  HB-         3.00    (#   1086:20        Unique  2.24, 2.46 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD+           6 ARG  HB-         4.00    (#   1087:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    5 GLU  HA            6 ARG  HB-         6.00    (#   1088:20        Unique  4.19, 5.00 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD-           6 ARG  HB-         3.00    (#   1089:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#   20 VAL  HA           20 VAL  HB          4.00    (#   1098:20        Unique  2.68, 2.99 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1099    20 VAL  HB          4.00    (#   1099:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  20-2:1100     0 AMB  20-1:1100   4.00    (#   1100:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1318,1319,1318,1319,
 &end
#
#    0 AMB  20-2:1102    81 GLU  HB-         3.00    (#   1102:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:1115     0 AMB  20-1:1115   3.00    (#   1115:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 239, 423,
 igr2= 241, 242, 425, 426,
 &end
#
#   22 ALA  MB           27 GLU  HB+         3.60    (#   1116:20        Unique  1.88, 3.19 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 351, 352, 353,
 igr2= 425, 426,
 &end
#
#    0 AMB  20-2:1117     0 AMB  20-1:1117   4.00    (#   1117:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 258, 259, 260, 313, 314, 315,
 igr2= 241, 242, 241, 242,
 &end
#
#    5 GLU  HA            5 GLU  HB+         4.00    (#   1118:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  62,  63,
 &end
#
#   22 ALA  MB           27 GLU  HB-         3.60    (#   1120:20        Unique  1.88, 3.19 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 351, 352, 353,
 igr2= 425, 426,
 &end
#
#    0 AMB  20-2:1121     0 AMB  20-1:1121   3.00    (#   1121:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 239, 423,
 igr2= 241, 242, 425, 426,
 &end
#
#    0 AMB  20-2:1122    15 GLU  HB-         3.00    (#   1122:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 258, 259, 260, 313, 314, 315,
 igr2= 241, 242,
 &end
#
#  113 ILE  HA          113 ILE  HG1+        3.50    (#   1123:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:1125     0 AMB  20-1:1125   3.00    (#   1125:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1779,1780,1781,1589,1590,1591,
 igr2=1776,1777,1776,1777,
 &end
#
#    0 AMB  20-2:1126     5 GLU  HB-         4.00    (#   1126:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  65,  66,  65,  66,
 igr2=  62,  63,
 &end
#
#    5 GLU  HA            5 GLU  HB-         4.00    (#   1128:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  62,  63,
 &end
#
#   13 ARG  HG-          13 ARG  HB-         3.00    (#   1130:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   53 ARG  HA           53 ARG  HB+         3.00    (#   1131:20        Unique  2.32, 2.75 A)
 &rst
  ixpk= 1131, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
#   53 ARG  HG+          53 ARG  HB+         3.00    (#   1132:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 880, 881,
 igr2= 877, 878,
 &end
#
#   53 ARG  HA           53 ARG  HB-         3.00    (#   1133:20        Unique  2.32, 2.75 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
#    0 AMB  20-2:1135   113 ILE  HG1-        3.00    (#   1135:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 647, 648, 649, 651, 652, 653,1770,
 igr2=1776,1777,
 &end
#
#   97 LEU  MDX         113 ILE  HG1-        3.00    (#   1136:20        Unique  2.00, 4.13 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1550,1551,1552,1554,1555,1556,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:1138     0 AMB  20-1:1138   5.00    (#   1138:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
      1845,1846,
 igr2=1811,1812,1811,1812,
 &end
#
#    0 AMB  20-2:1139     0 AMB  20-1:1139   3.00    (#   1139:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1743,1700,
 igr2=1745,1746,1745,1746,
 &end
#
#    0 AMB  20-2:1140     0 AMB  20-1:1140   5.00    (#   1140:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 169, 170,1748,1749,
 igr2=  62,  63,1745,1746,
 &end
#
#   73 GLU  HA           73 GLU  HB-         3.60    (#   1141:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1185,1186,
 &end
#
#   53 ARG  HG+          53 ARG  HB-         3.00    (#   1143:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 880, 881,
 igr2= 877, 878,
 &end
#
#   13 ARG  HA           13 ARG  HB+         3.00    (#   1144:20        Unique  2.35, 2.70 A)
 &rst
  ixpk= 1144, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 198, 199,
 &end
#
#   25 LYS  HE+          25 LYS  HD+         3.00    (#   1149:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 394, 395,
 &end
#
#   12 HIS  HA           12 HIS  HB+         3.00    (#   1152:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 181, 182,
 &end
#
#   12 HIS  HA           12 HIS  HB-         4.00    (#   1153:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 1153, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 181, 182,
 &end
#
#   96 LYS  HG-          96 LYS  HD+         3.00    (#   1159:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1529,1530,
 &end
#
#   65 VAL  MGX          65 VAL  HB          3.00    (#   1160:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   78 MET  ME           74 CYS  HB+         4.60    (#   1162:20        Unique  2.00, 3.97 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1271,1272,1273,
 igr2=1200,1201,
 &end
#
#    8 GLU  HA            8 GLU  HB+         3.00    (#   1176:20        Unique  2.35, 2.69 A)
 &rst
  ixpk= 1176, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 113, 114,
 &end
#
#    0 AMB  20-2:1177     0 AMB  20-1:1177   3.00    (#   1177:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1211,1212,1233,1234,
 igr2=1236,1237,1236,1237,
 &end
#
#   76 LYS  HE+          76 LYS  HD+         3.00    (#   1178:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1239,1240,
 igr2=1236,1237,
 &end
#
#    0 AMB  20-2:1179     0 AMB  20-1:1179   3.00    (#   1179:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 757, 758, 803, 804, 904, 905,1407,1408,
 igr2= 760, 761, 806, 807, 907, 908,1410,1411,
 &end
#
#    0 AMB  20-2:1180     0 AMB  20-1:1180   5.00    (#   1180:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1609,1610,1609,1610,
 igr2= 806, 807, 760, 761,
 &end
#
#  100 ILE  QG2           0 AMB  20-1:1183   6.00    (#   1183:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1589,1590,1591,
 igr2= 760, 761, 806, 807,
 &end
#
#    0 AMB  20-2:1184     0 AMB  20-1:1184   3.00    (#   1184:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1989,1990, 809, 810,
 igr2=1986,1987, 806, 807,
 &end
#
#    0 AMB  20-2:1186     0 AMB  20-1:1186   3.00    (#   1186:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1983,1984, 847, 848,
 igr2=1986,1987, 850, 851,
 &end
#
#    0 AMB  20-2:1187     0 AMB  20-1:1187   5.50    (#   1187:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 820, 937, 938, 937, 938,
 igr2= 850, 851, 850, 851, 850, 851,
 &end
#
#   61 LYS  HG-          61 LYS  HD+         3.00    (#   1188:20        Unique  2.40, 2.59 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1014,1015,
 igr2=1017,1018,
 &end
#
#   63 VAL  MGY          61 LYS  HD+         3.90    (#   1189:20        Unique  2.31, 5.25 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1017,1018,
 &end
#
#    6 ARG  HA            6 ARG  HG+         4.50    (#   1191:20        Unique  3.47, 3.86 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  80,  81,
 &end
#
#   50 LYS  HA           50 LYS  HD+         5.00    (#   1194:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 1194, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 828, 829,
 &end
#
#   50 LYS  HE+          50 LYS  HD+         3.00    (#   1195:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 831, 832,
 igr2= 828, 829,
 &end
#
#   50 LYS  HB+          50 LYS  HD+         3.00    (#   1197:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 822, 823,
 igr2= 828, 829,
 &end
#
#   50 LYS  HE+          50 LYS  HD-         3.00    (#   1199:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 831, 832,
 igr2= 828, 829,
 &end
#
#   50 LYS  HB+          50 LYS  HD-         3.60    (#   1201:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 822, 823,
 igr2= 828, 829,
 &end
#
#    0 AMB  20-2:1214    11 GLU  HB-         4.00    (#   1214:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 113, 114, 241, 242,
 igr2= 166, 167,
 &end
#
#   26 GLU  HA           26 GLU  HB+         3.00    (#   1220:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 1220, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#   26 GLU  HG+          26 GLU  HB+         3.00    (#   1221:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 413, 414,
 igr2= 410, 411,
 &end
#
#   75 LEU  MDX          26 GLU  HB+         4.00    (#   1222:20        Unique  2.94, 5.50 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 410, 411,
 &end
#
#  107 ASP  HA          110 GLN  HB+         3.30    (#   1223:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HB+         3.00    (#   1224:20        Unique  2.26, 4.98 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1728,1729,
 &end
#
#    0 AMB  20-2:1225     0 AMB  20-1:1225   3.00    (#   1225:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1731,1732, 413, 414,
 igr2=1728,1729, 410, 411,
 &end
#
#   75 LEU  MDX          26 GLU  HB-         3.00    (#   1226:20        Unique  2.94, 5.50 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 410, 411,
 &end
#
#   26 GLU  HA           26 GLU  HB-         3.00    (#   1227:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 1227, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#  110 GLN  HG+         110 GLN  HB-         3.00    (#   1228:20        Unique  2.23, 2.56 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1731,1732,
 igr2=1728,1729,
 &end
#
#  107 ASP  HA          110 GLN  HB-         3.00    (#   1229:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  110 GLN  HA          110 GLN  HB-         3.00    (#   1230:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HB-         3.60    (#   1231:20        Unique  2.26, 4.98 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1728,1729,
 &end
#
#   88 LYS  HA           88 LYS  HD+         4.10    (#   1232:20        Unique  2.16, 3.40 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1410,1411,
 &end
#
#   54 LYS  HA           54 LYS  HD+         4.50    (#   1233:20        Unique  2.09, 3.36 A)
 &rst
  ixpk= 1233, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 907, 908,
 &end
#
#   84 ASP  HB-          61 LYS  HD+         5.00    (#   1235:20        Unique  3.25, 4.32 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1017,1018,
 &end
#
#    6 ARG  HD+           6 ARG  HG+         3.00    (#   1236:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    6 ARG  HD-           6 ARG  HG+         3.00    (#   1237:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#   11 GLU  HA           11 GLU  HB-         3.20    (#   1240:20        Unique  2.33, 2.76 A)
 &rst
  ixpk= 1240, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 166, 167,
 &end
#
#   11 GLU  HG+          11 GLU  HB-         3.00    (#   1241:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 169, 170,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:1242     0 AMB  20-1:1242   3.00    (#   1242:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1144,1145,1726,
 igr2=1147,1148,1728,1729,
 &end
#
#   41 GLU  HA           41 GLU  HB+         3.20    (#   1243:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 661, 662,
 &end
#
#   41 GLU  HG+          41 GLU  HB-         3.20    (#   1244:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 664, 665,
 igr2= 661, 662,
 &end
#
#   70 PRO  HD+          70 PRO  HG+         3.00    (#   1249:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1144,1145,
 igr2=1147,1148,
 &end
#
#   70 PRO  HD+          70 PRO  HG-         3.00    (#   1251:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1144,1145,
 igr2=1147,1148,
 &end
#
#   41 GLU  HA           41 GLU  HB-         3.20    (#   1253:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 1253, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 661, 662,
 &end
#
#   13 ARG  HA           13 ARG  HG-         4.00    (#   1262:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 1262, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#    0 AMB  20-2:1263    13 ARG  HG-         3.00    (#   1263:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 204, 205, 181, 182,
 igr2= 201, 202,
 &end
#
#   13 ARG  HD+          13 ARG  HG+         3.00    (#   1264:20        Unique  2.32, 2.66 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 204, 205,
 igr2= 201, 202,
 &end
#
#   13 ARG  HB+          13 ARG  HG+         3.00    (#   1265:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 198, 199,
 igr2= 201, 202,
 &end
#
#    0 AMB  20-2:1272    40 LEU  MDX         3.50    (#   1272:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 640, 583,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   35 TYR  HB+          40 LEU  MDX         8.00    (#   1273:20        Unique  6.93, 9.06 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 564, 565,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   80 VAL  MGX          40 LEU  MDX         4.40    (#   1274:20        Unique  2.68, 6.77 A)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB-          40 LEU  MDX         3.80    (#   1275:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 642, 643,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   58 ILE  HA           58 ILE  HG1-        3.00    (#   1277:20        Unique  2.12, 2.96 A)
 &rst
  ixpk= 1277, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 968, 969,
 &end
#
#    0 AMB  20-2:1278     0 AMB  20-1:1278   6.00    (#   1278:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 809, 810,1359,1360,
 igr2= 968, 969,1377,1378,
 &end
#
#    0 AMB  20-2:1279    58 ILE  HG1-        3.00    (#   1279:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 844, 845, 962,
 igr2= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HG1-        4.00    (#   1280:20        Unique  2.52, 3.61 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 964, 965, 966,
 igr2= 968, 969,
 &end
#
#   85 ILE  HB           85 ILE  HG1-        3.00    (#   1281:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   58 ILE  HA           58 ILE  HG1+        3.00    (#   1282:20        Unique  2.12, 2.96 A)
 &rst
  ixpk= 1282, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 968, 969,
 &end
#
#    0 AMB  20-2:1283     0 AMB  20-1:1283   3.00    (#   1283:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 844, 845, 962,
 igr2= 968, 969, 968, 969,
 &end
#
#   51 LYS  HG+          58 ILE  HG1+        3.00    (#   1285:20        Unique  2.54, 4.45 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 968, 969,
 &end
#
#   36 LEU  MDY          36 LEU  HG          3.00    (#   1292:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   40 LEU  HG           40 LEU  MDX         3.00    (#   1297:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   53 ARG  HD+          53 ARG  HG+         3.00    (#   1298:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 883, 884,
 igr2= 880, 881,
 &end
#
#   53 ARG  HA           53 ARG  HG+         3.50    (#   1299:20        Unique  2.03, 2.93 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 880, 881,
 &end
#
#   75 LEU  MDY          75 LEU  HG          3.00    (#   1300:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  MDX          75 LEU  HG          3.00    (#   1301:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   86 GLY  HA+          85 ILE  HG1-        4.50    (#   1302:20        Unique  4.07, 5.18 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1377,1378,
 &end
#
#   85 ILE  HA           85 ILE  HG1+        4.00    (#   1304:20        Unique  3.68, 3.71 A)
 &rst
  ixpk= 1304, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1377,1378,
 &end
#
#   85 ILE  QG2          85 ILE  HG1+        3.00    (#   1306:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1373,1374,1375,
 igr2=1377,1378,
 &end
#
#   36 LEU  MDX          36 LEU  HG          3.00    (#   1312:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HA          117 LEU  HG          3.50    (#   1314:20        Unique  2.56, 2.84 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1315   117 LEU  HG          6.00    (#   1315:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  117 LEU  HB+         117 LEU  HG          3.00    (#   1316:20        Unique  2.40, 2.76 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HG          3.00    (#   1317:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1319    97 LEU  MDY         3.00    (#   1319:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1548,1589,1590,1591,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  103 ILE  HA          103 ILE  HG1-        3.00    (#   1320:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1637,1638,
 &end
#
#  103 ILE  QD1         103 ILE  HG1-        3.00    (#   1321:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2=1637,1638,
 &end
#
#  103 ILE  HA          103 ILE  HG1+        3.00    (#   1322:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1637,1638,
 &end
#
#   97 LEU  HA           97 LEU  HG          4.00    (#   1323:20        Unique  2.77, 3.35 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=1543,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ILE  HA           97 LEU  HG          4.00    (#   1324:20        Unique  2.86, 3.61 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=1768,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LEU  MDY          97 LEU  HG          3.00    (#   1325:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HB+          97 LEU  HG          3.00    (#   1326:20        Unique  2.22, 2.51 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1545,1546,
 &end
#
#   97 LEU  MDX          97 LEU  HG          3.00    (#   1327:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1550,1551,1552,1554,1555,1556,
 &end
#
#  114 ALA  HA          117 LEU  HG          4.00    (#   1329:20        Unique  3.10, 3.56 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=1787,1838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HB           19 ILE  HG1-        3.00    (#   1334:20        Unique  2.25, 2.60 A)
 &rst
  ixpk= 1334, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#   97 LEU  HA          100 ILE  HG1+        6.00    (#   1336:20        Unique  5.72, 6.51 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1593,1594,
 &end
#
#  103 ILE  QD1         103 ILE  HG1+        3.00    (#   1338:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2=1637,1638,
 &end
#
#   96 LYS  HE-          96 LYS  HG+         3.80    (#   1342:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1532,1533,
 igr2=1526,1527,
 &end
#
#  100 ILE  HB          100 ILE  HG1-        3.00    (#   1343:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HG1-        3.00    (#   1345:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1589,1590,1591,
 igr2=1593,1594,
 &end
#
#  100 ILE  QD1         100 ILE  HG1-        3.00    (#   1346:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1596,1597,1598,
 igr2=1593,1594,
 &end
#
#  100 ILE  HB          100 ILE  HG1+        3.00    (#   1347:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:1349     0 AMB  20-1:1349   4.00    (#   1349:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 igr2=1593,1594,1593,1594,
 &end
#
#  100 ILE  QD1         100 ILE  HG1+        3.00    (#   1350:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1596,1597,1598,
 igr2=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HG1+        3.00    (#   1351:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1589,1590,1591,
 igr2=1593,1594,
 &end
#
#   96 LYS  HE-          96 LYS  HG-         4.00    (#   1352:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1532,1533,
 igr2=1526,1527,
 &end
#
#    0 AMB  20-2:1353    96 LYS  HG-         3.00    (#   1353:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1529,1530,1523,1524,
 igr2=1526,1527,
 &end
#
#   36 LEU  HG           40 LEU  HG          5.00    (#   1357:20        Unique  4.30, 4.92 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 588, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HA           40 LEU  HG          3.00    (#   1358:20        Unique  2.41, 2.64 A)
 &rst
  ixpk= 1358, nxpk= 20, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 ILE  HG1+         40 LEU  HG          4.50    (#   1359:20        Unique  2.88, 3.85 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1776,1777,
 &end
#
#   40 LEU  MDX          40 LEU  HG          3.00    (#   1360:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB+          40 LEU  HG          3.00    (#   1361:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   40 LEU  HB-          40 LEU  HG          3.00    (#   1362:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   98 SER  HA          120 LEU  MDY         4.00    (#   1369:20        Unique  2.27, 4.16 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:1370   120 LEU  MDY         3.00    (#   1370:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1833,1564,1565,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB+         120 LEU  MDY         3.00    (#   1372:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:1373   120 LEU  MDY         5.60    (#   1373:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1959,1960,1840,1841,1842,1844,1845,1846,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   36 LEU  HG           40 LEU  MDY         4.50    (#   1377:20        Unique  2.04, 3.57 A)
 &rst
  ixpk= 1377, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:1378    40 LEU  MDY         3.00    (#   1378:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 640, 583,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  113 ILE  HG1+         40 LEU  MDY         3.00    (#   1379:20        Unique  1.96, 4.25 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1776,1777,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  112 ALA  MB           40 LEU  MDY         3.00    (#   1381:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1760,1761,1762,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:1382    40 LEU  MDY         3.00    (#   1382:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB-          40 LEU  MDY         3.00    (#   1383:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 642, 643,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   66 LEU  HA            0 AMB  20-1:1384   4.00    (#   1384:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1384, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   65 VAL  HA            0 AMB  20-1:1385   5.50    (#   1385:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1385, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#    0 AMB  20-2:1386     0 AMB  20-1:1386   3.00    (#   1386:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1066,1067, 270, 271,1063,1064,
 igr2=1099,1100,1101,1103,1104,1105, 291, 292,
 &end
#
#    0 AMB  20-2:1387     0 AMB  20-1:1387   3.00    (#   1387:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1318,1319, 231, 232, 233,
 igr2=1099,1100,1101,1103,1104,1105, 291, 292,
 &end
#
#   83 ALA  MB           66 LEU  MDY         3.00    (#   1388:20        Unique  2.12, 5.10 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1349,1350,1351,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#  117 LEU  HA          117 LEU  MDX         4.00    (#   1390:20        Unique  1.97, 3.86 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1391   117 LEU  MDX         5.50    (#   1391:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   92 VAL  HB            0 AMB  20-1:1392   4.00    (#   1392:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1392, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   18 ILE  QG2          18 ILE  HG1-        4.00    (#   1394:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 287, 288, 289,
 igr2= 291, 292,
 &end
#
#   36 LEU  HA           36 LEU  MDX         4.00    (#   1395:20        Unique  2.04, 4.07 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   32 TRP  HB-          36 LEU  MDX         5.00    (#   1396:20        Unique  2.90, 5.93 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 498, 499,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:1397    36 LEU  MDX         3.00    (#   1397:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 588, 604, 605,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   78 MET  ME           36 LEU  MDX         5.00    (#   1398:20        Unique  3.33, 6.04 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1271,1272,1273,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB-          36 LEU  MDX         3.00    (#   1399:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 585, 586,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:1400    36 LEU  MDX         3.00    (#   1400:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1127,1128,1129,1550,1551,1552,1554,1555,1556,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB+          36 LEU  MDX         3.00    (#   1401:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 585, 586,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          18 ILE  HG1+        4.00    (#   1404:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 287, 288, 289,
 igr2= 291, 292,
 &end
#
#  114 ALA  HA          117 LEU  MDX         3.00    (#   1408:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HG          117 LEU  MDX         3.00    (#   1409:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB-         117 LEU  MDX         3.00    (#   1410:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB+         117 LEU  MDX         3.00    (#   1411:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   76 LYS  HE+          76 LYS  HG+         3.50    (#   1422:20        Unique  2.04, 3.25 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1239,1240,
 igr2=1233,1234,
 &end
#
#   76 LYS  HB+          76 LYS  HG+         3.00    (#   1423:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1230,1231,
 igr2=1233,1234,
 &end
#
#    0 AMB  20-2:1424     0 AMB  20-1:1424   3.00    (#   1424:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1236,1237,1211,1212,
 igr2=1233,1234,1233,1234,
 &end
#
#    0 AMB  20-2:1425     0 AMB  20-1:1425   3.50    (#   1425:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 899, 875,
 igr2= 904, 905, 904, 905,
 &end
#
#   72 ASP  HA           75 LEU  MDY         3.00    (#   1427:20        Unique  2.81, 4.44 A)
 &rst
  ixpk= 1427, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   26 GLU  HG+          75 LEU  MDY         5.00    (#   1428:20        Unique  3.03, 5.06 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 413, 414,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1429    75 LEU  MDY         5.60    (#   1429:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1=1188,1189,1230,1231,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  MDY         3.00    (#   1430:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1431    75 LEU  MDY         3.00    (#   1431:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 481, 482, 483,1214,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB+          75 LEU  MDY         3.00    (#   1432:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1433    75 LEU  MDY         4.60    (#   1433:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1200,1201,1173,1174,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1434    75 LEU  MDY         4.00    (#   1434:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1173,1174, 474, 475,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1439     0 AMB  20-1:1439   3.00    (#   1439:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1359,1360,1575,1576,
 igr2=1407,1408, 803, 804,
 &end
#
#    0 AMB  20-2:1440     0 AMB  20-1:1440   4.00    (#   1440:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 999,1000,1606,1607,
 igr2= 757, 758, 803, 804,
 &end
#
#    0 AMB  20-2:1441     0 AMB  20-1:1441   3.00    (#   1441:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 760, 761, 907, 908,1410,1411, 754, 755,
 igr2= 757, 758, 904, 905,1407,1408, 757, 758,
 &end
#
#   58 ILE  QD1          49 LYS  HG+         4.60    (#   1442:20        Unique  3.69, 5.40 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 971, 972, 973,
 igr2= 803, 804,
 &end
#
#   49 LYS  HE+          47 LYS  HG-         4.00    (#   1443:20        Unique  3.09, 4.99 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 809, 810,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:1444     0 AMB  20-1:1444   3.00    (#   1444:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 996, 997, 754, 755, 877, 878,
 igr2= 757, 758, 904, 905,
 &end
#
#    0 AMB  20-2:1445     0 AMB  20-1:1445   3.00    (#   1445:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 760, 761, 907, 908,
 igr2= 757, 758, 904, 905,
 &end
#
#   51 LYS  HA           51 LYS  HG+         3.00    (#   1446:20        Unique  2.03, 2.79 A)
 &rst
  ixpk= 1446, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 847, 848,
 &end
#
#   56 SER  HB-          51 LYS  HG+         6.00    (#   1447:20        Unique  2.35, 5.93 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 937, 938,
 igr2= 847, 848,
 &end
#
#   49 LYS  HE+          49 LYS  HG-         3.50    (#   1448:20        Unique  2.09, 3.52 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 809, 810,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:1449     0 AMB  20-1:1449   3.00    (#   1449:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 844, 845, 850, 851, 806, 807,
 igr2= 847, 848, 847, 848, 803, 804,
 &end
#
#  100 ILE  QG2          49 LYS  HG-         6.00    (#   1450:20        Unique  5.67, 7.09 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1589,1590,1591,
 igr2= 803, 804,
 &end
#
#  101 GLU  HB+          49 LYS  HG-         3.30    (#   1451:20        Unique  3.08, 4.05 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1606,1607,
 igr2= 803, 804,
 &end
#
#   88 LYS  HA           88 LYS  HG+         3.50    (#   1455:20        Unique  2.75, 3.60 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1407,1408,
 &end
#
#  103 ILE  QD1          47 LYS  HG-         4.00    (#   1456:20        Unique  2.18, 4.28 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1640,1641,1642,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:1460     0 AMB  20-1:1460   3.00    (#   1460:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 693, 694, 693, 694,
 igr2= 696, 697, 696, 697,
 &end
#
#   43 PRO  HD-           0 AMB  20-1:1461   3.00    (#   1461:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 693, 694,
 igr2= 696, 697, 696, 697,
 &end
#
#    0 AMB  20-2:1462     0 AMB  20-1:1462   3.00    (#   1462:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 699, 700, 699, 700,
 igr2= 696, 697, 696, 697,
 &end
#
#   66 LEU  MDX           0 AMB  20-1:1463   6.00    (#   1463:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 696, 697, 696, 697,
 &end
#
#   43 PRO  HD+          43 PRO  HG+         3.00    (#   1464:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD-          43 PRO  HG+         3.00    (#   1465:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD+          43 PRO  HG+         3.00    (#   1466:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   25 LYS  HA           25 LYS  HG+         4.50    (#   1467:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#    0 AMB  20-2:1469     0 AMB  20-1:1469   5.00    (#   1469:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 776, 777, 776, 777, 776, 777,
 igr2=1014,1015,1014,1015, 757, 758,
 &end
#
#   82 VAL  MGY          61 LYS  HG-         7.00    (#   1470:20        Unique  7.23, 9.40 A)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1014,1015,
 &end
#
#   25 LYS  HE+          25 LYS  HG+         3.00    (#   1471:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 391, 392,
 &end
#
#   26 GLU  HG+          25 LYS  HG+         4.00    (#   1472:20        Unique  2.09, 3.53 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 413, 414,
 igr2= 391, 392,
 &end
#
#   25 LYS  HE+          25 LYS  HG-         3.00    (#   1474:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 391, 392,
 &end
#
#   26 GLU  HG+          25 LYS  HG-         4.00    (#   1475:20        Unique  2.09, 3.53 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 413, 414,
 igr2= 391, 392,
 &end
#
#   26 GLU  HB+          25 LYS  HG-         4.50    (#   1476:20        Unique  3.51, 5.04 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 410, 411,
 igr2= 391, 392,
 &end
#
#   25 LYS  HB+          25 LYS  HG-         3.00    (#   1478:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 388, 389,
 igr2= 391, 392,
 &end
#
#  125 LYS  HE+         125 LYS  HG+         3.00    (#   1488:20        Unique  2.01, 3.14 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1989,1990,
 igr2=1983,1984,
 &end
#
#   80 VAL  HB           80 VAL  MGY         3.00    (#   1490:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   50 LYS  HB+          50 LYS  HG+         3.00    (#   1491:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 822, 823,
 igr2= 825, 826,
 &end
#
#   50 LYS  HD+          50 LYS  HG+         3.00    (#   1492:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 825, 826,
 &end
#
#   50 LYS  HA           50 LYS  HG+         3.00    (#   1493:20        Unique  2.20, 2.86 A)
 &rst
  ixpk= 1493, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 825, 826,
 &end
#
#   50 LYS  HE+          50 LYS  HG+         3.60    (#   1494:20        Unique  2.01, 3.37 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 831, 832,
 igr2= 825, 826,
 &end
#
#   50 LYS  HD+          50 LYS  HG+         3.00    (#   1495:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 825, 826,
 &end
#
#    0 AMB  20-2:1500    75 LEU  MDX         5.00    (#   1500:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1173,1174, 474, 475,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HA           75 LEU  MDX         3.00    (#   1508:20        Unique  1.99, 3.81 A)
 &rst
  ixpk= 1508, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   30 MET  HB+          75 LEU  MDX         5.00    (#   1509:20        Unique  6.42, 8.63 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 474, 475,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   74 CYS  HB-          75 LEU  MDX         6.40    (#   1510:20        Unique  4.63, 6.94 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1=1200,1201,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   26 GLU  HG+          75 LEU  MDX         3.00    (#   1511:20        Unique  3.03, 5.06 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 413, 414,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   71 ASP  HB+          75 LEU  MDX         4.00    (#   1512:20        Unique  2.74, 6.52 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1161,1162,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  MDX         3.00    (#   1513:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1514    75 LEU  MDX         3.00    (#   1514:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 481, 482, 483,1214,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB+          75 LEU  MDX         3.00    (#   1515:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   44 PHE  HB-         105 VAL  MGY         3.00    (#   1516:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 710, 711,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  102 ALA  MB          105 VAL  MGY         3.00    (#   1517:20        Unique  1.90, 3.42 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1621,1622,1623,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   65 VAL  HA           82 VAL  MGY         3.00    (#   1518:20        Unique  1.52, 3.98 A)
 &rst
  ixpk= 1518, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HB           82 VAL  MGY         3.00    (#   1519:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  MGY         3.00    (#   1520:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1521    82 VAL  MGY         4.00    (#   1521:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1593,1594,1349,1350,1351,1377,1378,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1522    82 VAL  MGY         3.00    (#   1522:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1049,1050,1051,1053,1054,1055,1304,1305,1306,1308,
      1309,1310,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1523    82 VAL  MGY         4.00    (#   1523:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   84 ASP  HB+          83 ALA  MB          5.00    (#   1528:20        Unique  4.93, 6.30 A)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1359,1360,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1529    83 ALA  MB          5.00    (#   1529:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1359,1360,1426,1427,1450,1451,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1530    83 ALA  MB          4.00    (#   1530:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1063,1064,1066,1067,
 igr2=1349,1350,1351,
 &end
#
#   64 GLU  HB-          83 ALA  MB          3.00    (#   1531:20        Unique  3.21, 5.16 A)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1532    83 ALA  MB          3.00    (#   1532:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1464,1465,1466,1468,1469,1470,1099,1100,1101,1103,
      1104,1105,
 igr2=1349,1350,1351,
 &end
#
#   63 VAL  MGX          83 ALA  MB          5.00    (#   1533:20        Unique  4.55, 7.35 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1349,1350,1351,
 &end
#
#   82 VAL  MGX          83 ALA  MB          5.00    (#   1534:20        Unique  4.60, 6.55 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1349,1350,1351,
 &end
#
#   74 CYS  HB+          78 MET  ME          4.60    (#   1538:20        Unique  2.00, 3.97 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1200,1201,
 igr2=1271,1272,1273,
 &end
#
#   32 TRP  HB+          78 MET  ME          3.00    (#   1539:20        Unique  1.94, 3.52 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 498, 499,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1540    78 MET  ME          3.00    (#   1540:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 522, 523, 462,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HG+          78 MET  ME          3.00    (#   1542:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1267,1268,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1543    78 MET  ME          4.00    (#   1543:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 464, 465, 466,1267,1268,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HB-          78 MET  ME          5.00    (#   1544:20        Unique  1.92, 4.26 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1264,1265,
 igr2=1271,1272,1273,
 &end
#
#   69 ALA  HA           94 THR  MG2         5.00    (#   1545:20        Unique  3.17, 4.25 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   94 THR  HB           94 THR  MG2         3.00    (#   1546:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HB+          94 THR  MG2         3.00    (#   1547:20        Unique  1.98, 4.18 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1281,1282,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:1548    94 THR  MG2         5.60    (#   1548:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1188,1189,1185,1186,
 igr2=1501,1502,1503,
 &end
#
#   81 GLU  HG-          94 THR  MG2         4.00    (#   1549:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1321,1322,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:1552    36 LEU  MDY         3.00    (#   1552:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 588, 604, 605,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:1553     0 AMB  20-1:1553   3.00    (#   1553:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 585, 586,1760,1761,1762,
 igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   39 THR  HB           39 THR  MG2         3.00    (#   1554:20        Unique  2.26, 2.64 A)
 &rst
  ixpk= 1554, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 630, 631, 632,
 &end
#
#   82 VAL  MGX          63 VAL  MGY         4.00    (#   1558:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          63 VAL  MGY         5.00    (#   1559:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1561     0 AMB  20-1:1561   3.00    (#   1561:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1127,1128,1129, 647, 648, 649, 651, 652, 653,
 igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#  108 ASP  HB+          39 THR  MG2         4.00    (#   1562:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#  108 ASP  HB-          39 THR  MG2         3.00    (#   1563:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#    0 AMB  20-2:1564     0 AMB  20-1:1564   3.00    (#   1564:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1833, 583,
 igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#    0 AMB  20-2:1565     0 AMB  20-1:1565   3.00    (#   1565:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1838,1047,
 igr2=1840,1841,1842,1844,1845,1846,1049,1050,1051,1053,
      1054,1055,
 &end
#
#   98 SER  HA          117 LEU  MDY         3.00    (#   1566:20        Unique  3.17, 5.35 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   66 LEU  HA           66 LEU  MDX         3.00    (#   1567:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   43 PRO  HB+          66 LEU  MDX         4.00    (#   1568:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 699, 700,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#    0 AMB  20-2:1569    66 LEU  MDX         3.00    (#   1569:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1066,1067,1063,1064,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   81 GLU  HB+          66 LEU  MDX         4.00    (#   1570:20        Unique  2.11, 4.93 A)
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1318,1319,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#    0 AMB  20-2:1571    66 LEU  MDX         3.00    (#   1571:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1094,1095,1349,1350,1351,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   45 MET  HB-          62 THR  MG2         5.00    (#   1575:20        Unique  3.31, 5.21 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 730, 731,
 igr2=1035,1036,1037,
 &end
#
#   45 MET  ME           62 THR  MG2         3.00    (#   1576:20        Unique  1.93, 3.31 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 737, 738, 739,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1577    62 THR  MG2         4.80    (#   1577:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1371, 996, 997,
 igr2=1035,1036,1037,
 &end
#
#   85 ILE  QD1          62 THR  MG2         3.00    (#   1578:20        Unique  1.97, 3.27 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1380,1381,1382,
 igr2=1035,1036,1037,
 &end
#
#   63 VAL  MGX          62 THR  MG2         5.00    (#   1579:20        Unique  4.80, 6.78 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1035,1036,1037,
 &end
#
#   65 VAL  HA           65 VAL  MGY         3.00    (#   1580:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HB           65 VAL  MGY         3.80    (#   1581:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    9 THR  HB            9 THR  MG2         3.00    (#   1587:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 1587, nxpk= 20, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 130, 131, 132,
 &end
#
#   10 ARG  HD+           9 THR  MG2         5.00    (#   1588:20        Unique  2.10, 5.98 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 148, 149,
 igr2= 130, 131, 132,
 &end
#
#  113 ILE  HA           97 LEU  MDX         4.00    (#   1589:20        Unique  1.92, 4.37 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   80 VAL  MGX          97 LEU  MDX         3.00    (#   1590:20        Unique  1.97, 4.81 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  120 LEU  HB+         120 LEU  MDX         3.00    (#   1591:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  MDX         3.00    (#   1592:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:1593    95 ALA  MB          6.00    (#   1593:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1529,1530,1523,1524,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:1594    95 ALA  MB          6.00    (#   1594:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1304,1305,1306,1308,1309,1310,1049,1050,1051,1053,
      1054,1055,
 igr2=1513,1514,1515,
 &end
#
#   82 VAL  MGX          95 ALA  MB          4.00    (#   1595:20        Unique  4.85, 7.51 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1513,1514,1515,
 &end
#
#   55 THR  HB           55 THR  MG2         3.50    (#   1598:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 1598, nxpk= 20, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 925, 926, 927,
 &end
#
#   57 THR  HB            0 AMB  20-1:1599   3.50    (#   1599:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1599, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 950, 951, 952, 925, 926, 927,
 &end
#
#   60 GLU  HG+          57 THR  MG2         6.00    (#   1600:20        Unique  6.32, 8.13 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 999,1000,
 igr2= 950, 951, 952,
 &end
#
#   97 LEU  HB+          97 LEU  MDX         3.00    (#   1602:20        Unique  2.04, 3.43 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1545,1546,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  20-2:1603    97 LEU  MDX         5.00    (#   1603:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 642, 643,1593,1594,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  20-2:1604    97 LEU  MDX         3.00    (#   1604:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1548,1589,1590,1591,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   82 VAL  MGX          92 VAL  MGY         4.00    (#   1606:20        Unique  3.93, 7.78 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  120 LEU  HA          120 LEU  MDX         3.00    (#   1608:20        Unique  2.02, 4.13 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   40 LEU  MDY         109 THR  MG2         3.00    (#   1609:20        Unique  1.93, 5.04 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1716,1717,1718,
 &end
#
#   53 ARG  HB-          55 THR  MG2         4.50    (#   1611:20        Unique  2.16, 4.29 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 877, 878,
 igr2= 925, 926, 927,
 &end
#
#   54 LYS  HG-          55 THR  MG2         6.00    (#   1612:20        Unique  4.36, 5.91 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 904, 905,
 igr2= 925, 926, 927,
 &end
#
#   12 HIS  HA           16 THR  MG2         5.00    (#   1613:20        Unique  3.31, 4.36 A)
 &rst
  ixpk= 1613, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HA           16 THR  MG2         3.00    (#   1614:20        Unique  2.53, 3.25 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HB           16 THR  MG2         3.00    (#   1615:20        Unique  2.36, 2.64 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HG+          16 THR  MG2         3.50    (#   1616:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 244, 245,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HG-          16 THR  MG2         3.00    (#   1617:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 244, 245,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HB-          16 THR  MG2         3.00    (#   1618:20        Unique  3.26, 4.76 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 241, 242,
 igr2= 258, 259, 260,
 &end
#
#  122 ARG  HD+           4 VAL  MGY         4.00    (#   1620:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1934,1935,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    5 GLU  HG-           4 VAL  MGY         7.00    (#   1621:20        Unique  5.83, 7.86 A)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=  65,  66,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   81 GLU  HB-          92 VAL  MGY         3.00    (#   1623:20        Unique  2.40, 5.63 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1318,1319,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  105 VAL  HB          109 THR  MG2         4.50    (#   1625:20        Unique  2.07, 3.09 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1716,1717,1718,
 &end
#
#    4 VAL  HA            4 VAL  MGY         3.00    (#   1631:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    5 GLU  HA            4 VAL  MGY         7.00    (#   1632:20        Unique  3.50, 5.90 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  121 ALA  HA            4 VAL  MGY         5.50    (#   1633:20        Unique  5.87, 7.35 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:1635     4 VAL  MGY         5.00    (#   1635:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1926,1875,1876,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HB            4 VAL  MGY         3.00    (#   1636:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  121 ALA  MB            4 VAL  MGY         3.40    (#   1637:20        Unique  3.19, 5.70 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1918,1919,1920,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   16 THR  HA           20 VAL  MGY         6.00    (#   1639:20        Unique  1.97, 4.29 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   16 THR  HB           20 VAL  MGY         6.50    (#   1640:20        Unique  2.68, 5.17 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HA           20 VAL  MGY         4.00    (#   1641:20        Unique  2.24, 3.13 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HB-          20 VAL  MGY         6.00    (#   1642:20        Unique  2.31, 5.54 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 339, 340,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HB           20 VAL  MGY         4.00    (#   1643:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#  110 GLN  HG+         102 ALA  MB          4.00    (#   1646:20        Unique  1.97, 4.17 A)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1731,1732,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1647    92 VAL  MGX         5.00    (#   1647:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1450,1451,1359,1360,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   92 VAL  HB           92 VAL  MGX         3.00    (#   1648:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   46 GLY  HA+         102 ALA  MB          6.00    (#   1650:20        Unique  4.43, 5.38 A)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 745, 746,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1651   102 ALA  MB          3.00    (#   1651:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 igr2=1621,1622,1623,
 &end
#
#   65 VAL  HA           65 VAL  MGX         3.50    (#   1652:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HB           65 VAL  MGX         4.00    (#   1653:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HB           65 VAL  MGX         5.00    (#   1654:20        Unique  3.03, 5.35 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1655    65 VAL  MGX         6.00    (#   1655:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 642, 643,1593,1594,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   67 GLY  HA-          65 VAL  MGX         4.00    (#   1656:20        Unique  2.81, 5.65 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1111,1112,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  MGX          65 VAL  MGX         6.00    (#   1658:20        Unique  1.81, 5.71 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1669    22 ALA  MB          6.60    (#   1669:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 498, 499, 397, 398,
 igr2= 351, 352, 353,
 &end
#
#   27 GLU  HA           22 ALA  MB          4.60    (#   1670:20        Unique  3.28, 4.14 A)
 &rst
  ixpk= 1670, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 351, 352, 353,
 &end
#
#   28 ARG  HA           22 ALA  MB          3.60    (#   1671:20        Unique  2.03, 3.22 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:1672    22 ALA  MB          4.60    (#   1672:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 359, 337,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  HA           22 ALA  MB          3.60    (#   1673:20        Unique  2.84, 3.84 A)
 &rst
  ixpk= 1673, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  QG2          22 ALA  MB          3.60    (#   1674:20        Unique  1.96, 3.51 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 306, 307, 308,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HA           22 ALA  MB          3.60    (#   1675:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1675, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  HB           22 ALA  MB          3.60    (#   1677:20        Unique  1.96, 3.00 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:1679    22 ALA  MB          4.60    (#   1679:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 428, 429, 339, 340,
 igr2= 351, 352, 353,
 &end
#
#   20 VAL  HA           20 VAL  MGX         4.00    (#   1681:20        Unique  2.24, 3.13 A)
 &rst
  ixpk= 1681, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HB           20 VAL  MGX         4.00    (#   1682:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1682, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    2 ALA  HA            2 ALA  MB          5.00    (#   1685:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  25,  26,  27,
 &end
#
#  122 ARG  HD+           2 ALA  MB          7.00    (#   1688:20        Unique  4.10, 5.70 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1934,1935,
 igr2=  25,  26,  27,
 &end
#
#  121 ALA  HA            4 VAL  MGX         9.00    (#   1689:20        Unique  5.87, 7.35 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  122 ARG  HD+           4 VAL  MGX         3.00    (#   1690:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1934,1935,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HB            4 VAL  MGX         3.00    (#   1691:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HA            4 VAL  MGX         3.00    (#   1692:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  118 TYR  HA            4 VAL  MGX         3.70    (#   1693:20        Unique  2.40, 4.07 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:1694     4 VAL  MGX         7.00    (#   1694:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=  25,  26,  27,1918,1919,1920,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:1697    82 VAL  MGX         4.00    (#   1697:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   30 MET  HA           30 MET  ME          3.00    (#   1702:20        Unique  1.99, 3.01 A)
 &rst
  ixpk= 1702, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  HA           30 MET  ME          3.80    (#   1703:20        Unique  1.94, 3.29 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 481, 482, 483,
 &end
#
#   74 CYS  HB+          30 MET  ME          5.60    (#   1704:20        Unique  2.71, 4.53 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1200,1201,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HB-          30 MET  ME          4.00    (#   1705:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 522, 523,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HB+          30 MET  ME          4.00    (#   1706:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 474, 475,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HB-          30 MET  ME          4.00    (#   1707:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 474, 475,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:1709    30 MET  ME          3.00    (#   1709:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 477, 478,1161,1162,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:1710    30 MET  ME          3.00    (#   1710:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  MDX          30 MET  ME          4.00    (#   1711:20        Unique  1.98, 4.93 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 481, 482, 483,
 &end
#
#   93 TYR  HB+          82 VAL  MGX         4.00    (#   1713:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1478,1479,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HB           82 VAL  MGX         3.80    (#   1714:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  MGX         3.00    (#   1715:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  MGY          82 VAL  MGX         3.00    (#   1716:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HB-          82 VAL  MGX         4.00    (#   1718:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1478,1479,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   32 TRP  HA           19 ILE  QG2         4.00    (#   1721:20        Unique  3.26, 4.96 A)
 &rst
  ixpk= 1721, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 306, 307, 308,
 &end
#
#   28 ARG  HA           19 ILE  QG2         3.00    (#   1722:20        Unique  1.89, 2.66 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   31 GLY  HA-          19 ILE  QG2         4.50    (#   1723:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 489, 490,
 igr2= 306, 307, 308,
 &end
#
#   19 ILE  HG1-         19 ILE  QG2         3.00    (#   1726:20        Unique  2.23, 3.50 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 310, 311,
 igr2= 306, 307, 308,
 &end
#
#   22 ALA  MB           19 ILE  QG2         3.60    (#   1727:20        Unique  1.96, 3.51 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 351, 352, 353,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  QG2          19 ILE  QG2         4.00    (#   1728:20        Unique  1.93, 4.65 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 287, 288, 289,
 igr2= 306, 307, 308,
 &end
#
#  118 TYR  HA          121 ALA  MB          3.00    (#   1730:20        Unique  2.05, 3.34 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  121 ALA  HA          121 ALA  MB          3.00    (#   1731:20        Unique  2.31, 2.63 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#   14 ILE  HB           14 ILE  QG2         3.00    (#   1732:20        Unique  2.32, 2.63 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 224, 225, 226,
 &end
#
#   15 GLU  HB-          14 ILE  QG2         4.00    (#   1733:20        Unique  3.36, 4.64 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 241, 242,
 igr2= 224, 225, 226,
 &end
#
#   14 ILE  QD1          14 ILE  QG2         3.00    (#   1734:20        Unique  1.95, 3.51 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 231, 232, 233,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  QD1          14 ILE  QG2         5.10    (#   1735:20        Unique  1.94, 4.93 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 294, 295, 296,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  QG2          14 ILE  QG2         5.00    (#   1736:20        Unique  3.62, 6.41 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:1739    29 ALA  MB          4.00    (#   1739:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 522, 523,2002,2003,
 igr2= 464, 465, 466,
 &end
#
#   29 ALA  HA           29 ALA  MB          3.00    (#   1740:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1740, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:1742   105 VAL  MGX         5.80    (#   1742:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
 igr1=1648, 659,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HA          105 VAL  MGX         3.00    (#   1743:20        Unique  2.74, 4.75 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HG+         105 VAL  MGX         3.00    (#   1744:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1731,1732,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:1745   105 VAL  MGX         3.60    (#   1745:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1728,1729,1662,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  102 ALA  MB          105 VAL  MGX         3.00    (#   1746:20        Unique  1.90, 3.42 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1621,1622,1623,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:1747   121 ALA  MB          4.00    (#   1747:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 igr2=1918,1919,1920,
 &end
#
#    0 AMB  20-2:1748   112 ALA  MB          3.00    (#   1748:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 583,1768,1799,1800,
 igr2=1760,1761,1762,
 &end
#
#   39 THR  HB          112 ALA  MB          4.00    (#   1749:20        Unique  3.06, 3.83 A)
 &rst
  ixpk= 1749, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1750     0 AMB  20-1:1750   4.00    (#   1750:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1745,1746,  46,1838,
 igr2=1760,1761,1762,1918,1919,1920,
 &end
#
#   40 LEU  MDX         112 ALA  MB          4.00    (#   1751:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1752   112 ALA  MB          3.00    (#   1752:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 igr2=1760,1761,1762,
 &end
#
#   39 THR  MG2         112 ALA  MB          3.00    (#   1753:20        Unique  2.03, 3.75 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 630, 631, 632,
 igr2=1760,1761,1762,
 &end
#
#   30 MET  ME           29 ALA  MB          3.00    (#   1757:20        Unique  2.20, 3.64 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 481, 482, 483,
 igr2= 464, 465, 466,
 &end
#
#   97 LEU  HA           80 VAL  MGX         5.00    (#   1758:20        Unique  4.57, 6.39 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HB           80 VAL  MGX         3.00    (#   1759:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:1765   114 ALA  MB          4.00    (#   1765:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1799,1800,1726,1768,
 igr2=1789,1790,1791,
 &end
#
#    0 AMB  20-2:1766   114 ALA  MB          4.50    (#   1766:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1731,1732,1748,1749,
 igr2=1789,1790,1791,
 &end
#
#  117 LEU  HB-         114 ALA  MB          5.00    (#   1767:20        Unique  3.95, 5.58 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1835,1836,
 igr2=1789,1790,1791,
 &end
#
#  111 GLU  HA          114 ALA  MB          3.00    (#   1768:20        Unique  2.73, 3.85 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  114 ALA  HA          114 ALA  MB          3.00    (#   1769:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#    0 AMB  20-2:1770   114 ALA  MB          4.80    (#   1770:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=1728,1729,1745,1746,1838,
 igr2=1789,1790,1791,
 &end
#
#    0 AMB  20-2:1771   114 ALA  MB          4.00    (#   1771:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1840,1841,1842,1844,1845,1846,1772,1773,1774,
 igr2=1789,1790,1791,
 &end
#
#   85 ILE  HA           85 ILE  QG2         3.00    (#   1773:20        Unique  2.20, 3.00 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HB           85 ILE  QG2         3.00    (#   1774:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1-         85 ILE  QG2         3.00    (#   1775:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1+         85 ILE  QG2         3.00    (#   1776:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1373,1374,1375,
 &end
#
#   69 ALA  HA           69 ALA  MB          3.00    (#   1783:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD-          69 ALA  MB          3.00    (#   1784:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1144,1145,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD+          69 ALA  MB          3.50    (#   1785:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1144,1145,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:1786    69 ALA  MB          4.00    (#   1786:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1281,1282,1281,1282,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:1787    69 ALA  MB          4.10    (#   1787:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1185,1186,1188,1189,
 igr2=1137,1138,1139,
 &end
#
#   81 GLU  HG+          69 ALA  MB          3.50    (#   1788:20        Unique  2.02, 4.56 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1321,1322,
 igr2=1137,1138,1139,
 &end
#
#   58 ILE  HB           58 ILE  QG2         3.00    (#   1789:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 1789, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   58 ILE  HG1+         58 ILE  QG2         3.00    (#   1790:20        Unique  2.52, 3.61 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 964, 965, 966,
 &end
#
#   59 GLU  HA           58 ILE  QG2         4.00    (#   1791:20        Unique  3.72, 4.67 A)
 &rst
  ixpk= 1791, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 964, 965, 966,
 &end
#
#   58 ILE  HA           58 ILE  QG2         3.00    (#   1792:20        Unique  2.60, 3.35 A)
 &rst
  ixpk= 1792, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HE+          58 ILE  QG2         4.10    (#   1793:20        Unique  1.99, 3.71 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 809, 810,
 igr2= 964, 965, 966,
 &end
#
#   60 GLU  HG+          58 ILE  QG2         3.00    (#   1794:20        Unique  2.41, 3.88 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 999,1000,
 igr2= 964, 965, 966,
 &end
#
#   58 ILE  HG1-         58 ILE  QG2         3.00    (#   1795:20        Unique  2.52, 3.61 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 964, 965, 966,
 &end
#
#    0 AMB  20-2:1796    58 ILE  QG2         4.00    (#   1796:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 803, 804, 822, 823, 847, 848,
 igr2= 964, 965, 966,
 &end
#
#   48 TRP  HB+          63 VAL  MGX         4.00    (#   1797:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          63 VAL  MGX         4.00    (#   1798:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  HB           63 VAL  MGX         5.40    (#   1799:20        Unique  2.00, 4.44 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          63 VAL  MGX         4.00    (#   1800:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1802   103 ILE  QG2         5.00    (#   1802:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1609,1610,1731,1732,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:1803   103 ILE  QG2         5.00    (#   1803:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 737, 738, 739, 730, 731,
 igr2=1633,1634,1635,
 &end
#
#  113 ILE  HA          113 ILE  QG2         3.00    (#   1808:20        Unique  2.38, 3.18 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  HB          113 ILE  QG2         3.00    (#   1809:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1772,1773,1774,
 &end
#
#    0 AMB  20-2:1810   113 ILE  QG2         3.00    (#   1810:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1589,1590,1591,1779,1780,1781,
 igr2=1772,1773,1774,
 &end
#
#  114 ALA  HA          113 ILE  QG2         5.00    (#   1811:20        Unique  2.99, 4.22 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1772,1773,1774,
 &end
#
#    0 AMB  20-2:1812   113 ILE  QG2         5.50    (#   1812:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1606,1607,1728,1729,
 igr2=1772,1773,1774,
 &end
#
#  112 ALA  MB          113 ILE  QG2         5.00    (#   1813:20        Unique  6.05, 7.25 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1760,1761,1762,
 igr2=1772,1773,1774,
 &end
#
#  103 ILE  HA          103 ILE  QG2         3.00    (#   1814:20        Unique  2.36, 3.32 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#  104 ASP  HB+         103 ILE  QG2         3.00    (#   1815:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1650,1651,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:1816   103 ILE  QG2         3.00    (#   1816:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 733, 734,1650,1651,
 igr2=1633,1634,1635,
 &end
#
#  103 ILE  HB          103 ILE  QG2         3.00    (#   1817:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 1817, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#   46 GLY  HA+         100 ILE  QG2         5.00    (#   1820:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HB          100 ILE  QG2         3.00    (#   1821:20        Unique  2.38, 2.63 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HG1+        100 ILE  QG2         3.00    (#   1822:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1589,1590,1591,
 &end
#
#   65 VAL  MGX         100 ILE  QG2         4.80    (#   1823:20        Unique  3.59, 6.68 A)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr1=1080,1081,1082,1084,1085,1086,
 igr2=1589,1590,1591,
 &end
#
#    0 AMB  20-2:1824   100 ILE  QG2         4.50    (#   1824:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1606,1607,1838, 737, 738, 739,1047,
 igr2=1589,1590,1591,
 &end
#
#   45 MET  HG+          45 MET  ME          3.60    (#   1825:20        Unique  2.25, 3.60 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 733, 734,
 igr2= 737, 738, 739,
 &end
#
#   45 MET  HG-          45 MET  ME          3.00    (#   1826:20        Unique  2.25, 3.60 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 733, 734,
 igr2= 737, 738, 739,
 &end
#
#   62 THR  MG2          45 MET  ME          3.00    (#   1828:20        Unique  1.93, 3.31 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1035,1036,1037,
 igr2= 737, 738, 739,
 &end
#
#  103 ILE  QD1          45 MET  ME          4.00    (#   1829:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1640,1641,1642,
 igr2= 737, 738, 739,
 &end
#
#   85 ILE  HG1-         45 MET  ME          5.00    (#   1832:20        Unique  2.91, 5.39 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1377,1378,
 igr2= 737, 738, 739,
 &end
#
#   33 TYR  HA           68 MET  ME          4.00    (#   1833:20        Unique  2.33, 3.62 A)
 &rst
  ixpk= 1833, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   68 MET  HG+          68 MET  ME          3.00    (#   1834:20        Unique  2.21, 3.64 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   36 LEU  HB+          68 MET  ME          5.00    (#   1836:20        Unique  1.95, 4.64 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 585, 586,
 igr2=1127,1128,1129,
 &end
#
#    0 AMB  20-2:1837    68 MET  ME          5.00    (#   1837:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1267,1268,1137,1138,1139,
 igr2=1127,1128,1129,
 &end
#
#    0 AMB  20-2:1838    68 MET  ME          3.00    (#   1838:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 590, 591, 592, 594, 595, 596,1304,1305,1306,1308,
      1309,1310,
 igr2=1127,1128,1129,
 &end
#
#   36 LEU  MDX          68 MET  ME          3.00    (#   1839:20        Unique  1.85, 4.83 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2=1127,1128,1129,
 &end
#
#   11 GLU  HA           14 ILE  QD1         5.00    (#   1846:20        Unique  4.57, 6.04 A)
 &rst
  ixpk= 1846, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 231, 232, 233,
 &end
#
#  119 TRP  HB+          14 ILE  QD1         5.00    (#   1847:20        Unique  2.88, 3.99 A)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1875,1876,
 igr2= 231, 232, 233,
 &end
#
#   14 ILE  HB           14 ILE  QD1         4.00    (#   1848:20        Unique  2.38, 3.24 A)
 &rst
  ixpk= 1848, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  QD1         3.00    (#   1849:20        Unique  1.95, 3.51 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 224, 225, 226,
 igr2= 231, 232, 233,
 &end
#
#   18 ILE  QD1          14 ILE  QD1         5.00    (#   1850:20        Unique  2.14, 4.14 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 igr2= 231, 232, 233,
 &end
#
#  110 GLN  HA          113 ILE  QD1         3.00    (#   1853:20        Unique  1.96, 3.15 A)
 &rst
  ixpk= 1853, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HG1+        113 ILE  QD1         3.00    (#   1854:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1776,1777,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HB          113 ILE  QD1         3.00    (#   1855:20        Unique  2.03, 2.89 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1779,1780,1781,
 &end
#
#  112 ALA  MB          113 ILE  QD1         4.40    (#   1856:20        Unique  3.39, 5.68 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1760,1761,1762,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  QG2         113 ILE  QD1         3.00    (#   1857:20        Unique  2.64, 4.26 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1772,1773,1774,
 igr2=1779,1780,1781,
 &end
#
#   35 TYR  HB+          18 ILE  QG2         4.00    (#   1858:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 564, 565,
 igr2= 287, 288, 289,
 &end
#
#   19 ILE  QG2          18 ILE  QG2         3.00    (#   1859:20        Unique  1.93, 4.65 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 306, 307, 308,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HG1-         18 ILE  QG2         4.00    (#   1860:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 291, 292,
 igr2= 287, 288, 289,
 &end
#
#   32 TRP  HA           18 ILE  QG2         3.00    (#   1861:20        Unique  1.93, 2.41 A)
 &rst
  ixpk= 1861, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HA           18 ILE  QG2         3.00    (#   1862:20        Unique  2.36, 3.20 A)
 &rst
  ixpk= 1862, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 287, 288, 289,
 &end
#
#   35 TYR  HB-          18 ILE  QG2         4.00    (#   1863:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 564, 565,
 igr2= 287, 288, 289,
 &end
#
#    0 AMB  20-2:1864    18 ILE  QG2         3.00    (#   1864:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 310, 311, 285,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  QD1          18 ILE  QG2         3.00    (#   1865:20        Unique  1.94, 3.59 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 294, 295, 296,
 igr2= 287, 288, 289,
 &end
#
#  103 ILE  HA          103 ILE  QD1         4.00    (#   1866:20        Unique  2.30, 3.70 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#   46 GLY  HA+         103 ILE  QD1         6.00    (#   1867:20        Unique  1.97, 3.98 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 745, 746,
 igr2=1640,1641,1642,
 &end
#
#   47 LYS  HE+         103 ILE  QD1         3.00    (#   1868:20        Unique  2.38, 3.93 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 763, 764,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HG-         103 ILE  QD1         4.00    (#   1869:20        Unique  2.18, 5.11 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 733, 734,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HB-         103 ILE  QD1         5.50    (#   1870:20        Unique  4.41, 6.83 A)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 730, 731,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:1871   103 ILE  QD1         3.00    (#   1871:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 737, 738, 739,1606,1607,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:1872   103 ILE  QD1         3.00    (#   1872:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 760, 761,1637,1638,1631,
 igr2=1640,1641,1642,
 &end
#
#   62 THR  MG2         103 ILE  QD1         4.00    (#   1873:20        Unique  3.24, 6.14 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1035,1036,1037,
 igr2=1640,1641,1642,
 &end
#
#  103 ILE  HG1+        103 ILE  QD1         3.00    (#   1874:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1637,1638,
 igr2=1640,1641,1642,
 &end
#
#   18 ILE  HA           18 ILE  QD1         4.00    (#   1876:20        Unique  2.32, 4.42 A)
 &rst
  ixpk= 1876, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:1877    18 ILE  QD1         6.00    (#   1877:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 273, 274,1745,1746,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HB           18 ILE  QD1         4.00    (#   1878:20        Unique  2.35, 3.23 A)
 &rst
  ixpk= 1878, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HG1-         18 ILE  QD1         3.00    (#   1879:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 291, 292,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  QG2          18 ILE  QD1         3.00    (#   1880:20        Unique  1.94, 3.59 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 287, 288, 289,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HG1+         18 ILE  QD1         3.00    (#   1881:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 1881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 291, 292,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:1882    85 ILE  QD1         7.00    (#   1882:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1650,1651, 776, 777,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HG+          85 ILE  QD1         5.20    (#   1884:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 733, 734,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:1885    85 ILE  QD1         3.00    (#   1885:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1371,1063,1064,
 igr2=1380,1381,1382,
 &end
#
#   64 GLU  HB-          85 ILE  QD1         4.00    (#   1886:20        Unique  2.72, 4.43 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1063,1064,
 igr2=1380,1381,1382,
 &end
#
#   85 ILE  HG1-         85 ILE  QD1         3.00    (#   1887:20        Unique  2.20, 2.62 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:1888    85 ILE  QD1         3.00    (#   1888:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1035,1036,1037,1377,1378,
 igr2=1380,1381,1382,
 &end
#
#   51 LYS  HA           58 ILE  QD1         4.00    (#   1891:20        Unique  2.01, 4.13 A)
 &rst
  ixpk= 1891, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#   49 LYS  HE+          58 ILE  QD1         5.00    (#   1892:20        Unique  2.77, 5.38 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 809, 810,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HG1-         58 ILE  QD1         3.00    (#   1893:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 971, 972, 973,
 &end
#
#   51 LYS  HG+          58 ILE  QD1         3.20    (#   1894:20        Unique  2.38, 4.54 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 847, 848,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HG1+         58 ILE  QD1         3.00    (#   1895:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 971, 972, 973,
 &end
#
#   19 ILE  HA           19 ILE  QD1         5.00    (#   1898:20        Unique  3.78, 4.60 A)
 &rst
  ixpk= 1898, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 313, 314, 315,
 &end
#
#   17 GLU  HG+          19 ILE  QD1         7.00    (#   1900:20        Unique  6.62, 8.39 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 273, 274,
 igr2= 313, 314, 315,
 &end
#
#   58 ILE  HB           58 ILE  QD1         4.00    (#   1901:20        Unique  3.35, 3.83 A)
 &rst
  ixpk= 1901, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#    0 AMB  20-2:1902   100 ILE  QD1         4.00    (#   1902:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
      1845,1846,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  QG2         100 ILE  QD1         4.00    (#   1903:20        Unique  1.90, 3.87 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1589,1590,1591,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HG1+        100 ILE  QD1         3.00    (#   1904:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:1905   100 ILE  QD1         4.80    (#   1905:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1= 776, 777, 745, 746,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HG1-        100 ILE  QD1         3.00    (#   1906:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1596,1597,1598,
 &end
#
#   58 ILE  HN           57 THR  HB          5.00    (#   1907:20        Unique  3.85, 4.33 A)
 &rst
  ixpk= 1907, nxpk= 20, iat= 958, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           94 THR  HB          3.50    (#   1908:20        Unique  2.95, 3.06 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 VAL  HN           62 THR  HB          5.00    (#   1909:20        Unique  3.81, 4.10 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=1043,1033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 THR  HN           62 THR  HB          3.50    (#   1910:20        Unique  2.68, 2.79 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 THR  HA           62 THR  HB          3.50    (#   1911:20        Unique  2.96, 3.00 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  HN            9 THR  HB          3.40    (#   1912:20        Unique  2.25, 2.32 A)
 &rst
  ixpk= 1912, nxpk= 20, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   10 ARG  HN            9 THR  HB          4.00    (#   1913:20        Unique  4.06, 4.12 A)
 &rst
  ixpk= 1913, nxpk= 20, iat= 138, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ILE  HN          113 ILE  HA          3.50    (#   1914:20        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=1766,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  HN            9 THR  HA          3.50    (#   1915:20        Unique  2.80, 2.85 A)
 &rst
  ixpk= 1915, nxpk= 20, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HN           39 THR  HA          3.50    (#   1916:20        Unique  2.83, 2.87 A)
 &rst
  ixpk= 1916, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HN           70 PRO  HA          3.00    (#   1918:20        Unique  2.23, 2.35 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=1157,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1919     0 AMB  20-1:1919   6.00    (#   1919:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 977, 862,
 igr2= 866, 867, 866, 867,
 &end
#
#   17 GLU  HN           16 THR  HA          4.00    (#   1922:20        Unique  2.87, 2.95 A)
 &rst
  ixpk= 1922, nxpk= 20, iat= 266, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  HN           16 THR  HA          3.50    (#   1923:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 SER  HN           98 SER  HB-         3.50    (#   1925:20        Unique  2.09, 2.96 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1564,1565,
 &end
#
#   99 ASP  HN           98 SER  HB-         4.00    (#   1926:20        Unique  2.74, 3.58 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1564,1565,
 &end
#
#   20 VAL  HN           20 VAL  HA          3.50    (#   1927:20        Unique  2.28, 2.28 A)
 &rst
  ixpk= 1927, nxpk= 20, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HN           65 VAL  HA          2.80    (#   1928:20        Unique  2.14, 2.18 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=1090,1076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ASP  HN           34 TYR  HA          4.50    (#   1929:20        Unique  3.85, 4.05 A)
 &rst
  ixpk= 1929, nxpk= 20, iat= 600, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TYR  HD-          34 TYR  HA          4.00    (#   1930:20        Unique  2.59, 3.37 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#   34 TYR  HN           34 TYR  HA          3.50    (#   1931:20        Unique  2.68, 2.71 A)
 &rst
  ixpk= 1931, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HD+          34 TYR  HA          4.00    (#   1932:20        Unique  2.59, 3.37 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#   86 GLY  HN           85 ILE  HA          3.50    (#   1933:20        Unique  2.61, 2.64 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=1386,1369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ILE  HN           85 ILE  HA          3.00    (#   1934:20        Unique  2.87, 2.89 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 LEU  HN           35 TYR  HA          5.00    (#   1937:20        Unique  3.44, 3.47 A)
 &rst
  ixpk= 1937, nxpk= 20, iat= 581, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HD+          35 TYR  HA          4.00    (#   1938:20        Unique  2.11, 3.68 A)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 568, 577,
 &end
#
#   58 ILE  HN           57 THR  HA          3.50    (#   1939:20        Unique  2.15, 2.85 A)
 &rst
  ixpk= 1939, nxpk= 20, iat= 958, 946, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1940   118 TYR  HA          3.00    (#   1940:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1850,1914,1871,
 &end
#
#   32 TRP  HN           32 TRP  HA          3.50    (#   1941:20        Unique  2.70, 2.75 A)
 &rst
  ixpk= 1941, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           35 TYR  HA          3.50    (#   1942:20        Unique  2.80, 2.85 A)
 &rst
  ixpk= 1942, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1944   119 TRP  HA          7.50    (#   1944:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1955,1963,1972,
 &end
#
#    0 AMB  20-2:1945    58 ILE  HA          2.80    (#   1945:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 977, 862,
 &end
#
#    0 AMB  20-2:1946   103 ILE  HA          2.80    (#   1946:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1646,1627,
 &end
#
#   28 ARG  HN           28 ARG  HA          3.50    (#   1947:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 1947, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 VAL  HN            4 VAL  HA          3.50    (#   1948:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  42,  44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HN            4 VAL  HA          4.00    (#   1949:20        Unique  2.92, 3.05 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  58,  44, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 VAL  HN          103 ILE  HA          4.50    (#   1950:20        Unique  3.44, 3.87 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=1658,1629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           19 ILE  HA          3.50    (#   1951:20        Unique  2.85, 2.92 A)
 &rst
  ixpk= 1951, nxpk= 20, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 VAL  HN           19 ILE  HA          5.00    (#   1952:20        Unique  3.41, 3.51 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 319, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 GLU  HN           26 GLU  HA          3.00    (#   1953:20        Unique  2.87, 2.91 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ARG  HN           10 ARG  HA          4.00    (#   1954:20        Unique  2.94, 2.94 A)
 &rst
  ixpk= 1954, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  HN           13 ARG  HA          4.00    (#   1955:20        Unique  3.55, 3.56 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 218, 196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HN           13 ARG  HA          3.50    (#   1957:20        Unique  2.71, 2.72 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HN           98 SER  HA          4.00    (#   1958:20        Unique  3.46, 3.49 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=1571,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 ALA  HN           26 GLU  HA          4.00    (#   1959:20        Unique  3.54, 3.64 A)
 &rst
  ixpk= 1959, nxpk= 20, iat= 460, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1961    12 HIS  HA          3.50    (#   1961:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 177, 237,
 &end
#
#   11 GLU  HN           11 GLU  HA          3.00    (#   1963:20        Unique  2.65, 2.67 A)
 &rst
  ixpk= 1963, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1964     0 AMB  20-1:1964   3.00    (#   1964:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 237, 177,
 igr2= 239, 111,
 &end
#
#   11 GLU  HN            8 GLU  HA          4.00    (#   1965:20        Unique  3.42, 3.51 A)
 &rst
  ixpk= 1965, nxpk= 20, iat= 162, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HN          110 GLN  HA          4.00    (#   1967:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 GLN  HN          110 GLN  HA          3.00    (#   1968:20        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  116 TRP  HN          116 TRP  HA          3.50    (#   1970:20        Unique  2.79, 2.82 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=1807,1809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  111 GLU  HN          111 GLU  HA          3.00    (#   1971:20        Unique  2.70, 2.71 A)
 &rst
  ixpk= 1971, nxpk= 20, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1972    36 LEU  HA          4.00    (#   1972:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 624, 570, 575,
 &end
#
#  112 ALA  HN          111 GLU  HA          4.00    (#   1973:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=1756,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 ASP  HN          107 ASP  HA          3.00    (#   1975:20        Unique  2.84, 2.86 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HN          117 LEU  HA          3.00    (#   1977:20        Unique  2.70, 2.73 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1978   117 LEU  HA          4.00    (#   1978:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1850,
 &end
#
#   42 PHE  HD-          37 ASP  HA          4.00    (#   1979:20        Unique  1.93, 4.68 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 680, 688,
 &end
#
#   37 ASP  HN           37 ASP  HA          3.00    (#   1980:20        Unique  2.78, 2.83 A)
 &rst
  ixpk= 1980, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          108 ASP  HA          4.00    (#   1981:20        Unique  3.56, 3.56 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=1710,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASP  HN          108 ASP  HA          3.00    (#   1983:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          107 ASP  HA          5.00    (#   1984:20        Unique  4.60, 4.68 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=1710,1688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 ASP  HN          107 ASP  HA          4.00    (#   1985:20        Unique  3.54, 3.55 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=1698,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 GLN  HN          107 ASP  HA          4.00    (#   1986:20        Unique  3.86, 3.93 A)
 &rst
  ixpk= 1986, nxpk= 20, iat=1724,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HN          117 LEU  HA          4.50    (#   1987:20        Unique  3.67, 3.80 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=1895,1833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 ASP  HN           71 ASP  HA          3.50    (#   1989:20        Unique  2.74, 2.78 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ASP  HN           71 ASP  HA          4.00    (#   1990:20        Unique  3.28, 3.41 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=1169,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 ASP  HN           97 LEU  HA          4.00    (#   1991:20        Unique  4.05, 4.13 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=1571,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HN           96 LYS  HA          3.20    (#   1992:20        Unique  2.27, 2.28 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=1519,1521, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   97 LEU  HN           96 LYS  HA          4.00    (#   1993:20        Unique  3.52, 3.54 A)
 &rst
  ixpk= 1993, nxpk= 20, iat=1541,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HA           96 LYS  HA          4.00    (#   1995:20        Unique  6.07, 6.38 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=1279,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 GLU  HN           23 GLU  HA          3.60    (#   1996:20        Unique  2.94, 2.95 A)
 &rst
  ixpk= 1996, nxpk= 20, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   24 ASP  HN           23 GLU  HA          4.60    (#   1997:20        Unique  3.25, 3.32 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 372, 359, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    7 ASP  HN            6 ARG  HA          5.00    (#   1999:20        Unique  3.44, 3.49 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  97,  75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ARG  HN            6 ARG  HA          3.50    (#   2000:20        Unique  2.91, 2.94 A)
 &rst
  ixpk= 2000, nxpk= 20, iat=  73,  75, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  HN           17 GLU  HA          3.00    (#   2001:20        Unique  2.92, 2.93 A)
 &rst
  ixpk= 2001, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ILE  HN           17 GLU  HA          4.00    (#   2002:20        Unique  3.46, 3.49 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 281, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HN          120 LEU  HA          3.50    (#   2005:20        Unique  2.88, 2.91 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=1895,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2006   120 LEU  HA          4.00    (#   2006:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1871,
 &end
#
#   73 GLU  HN           73 GLU  HA          3.60    (#   2008:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=1181,1183, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   74 CYS  HN           73 GLU  HA          5.00    (#   2009:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=1196,1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 LYS  HN           88 LYS  HA          3.00    (#   2010:20        Unique  2.93, 2.94 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=1400,1402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2011    88 LYS  HA          4.00    (#   2011:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1422,1434,
 &end
#
#    0 AMB  20-2:2012    51 LYS  HA          4.00    (#   2012:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 862, 977,
 &end
#
#   75 LEU  HN           75 LEU  HA          3.00    (#   2013:20        Unique  2.28, 2.87 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=1207,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LEU  HN           66 LEU  HA          3.50    (#   2015:20        Unique  2.88, 2.92 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLY  HN           66 LEU  HA          4.00    (#   2016:20        Unique  3.19, 3.34 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 ASP  HN           38 ASP  HA          3.00    (#   2017:20        Unique  2.73, 2.78 A)
 &rst
  ixpk= 2017, nxpk= 20, iat= 612, 614, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 ARG  HN            5 GLU  HA          4.00    (#   2018:20        Unique  2.69, 2.72 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=  73,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 GLU  HN            5 GLU  HA          4.00    (#   2019:20        Unique  2.79, 2.84 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  58,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HN           40 LEU  HA          3.50    (#   2020:20        Unique  2.73, 2.79 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PHE  HD-          38 ASP  HA          6.00    (#   2021:20        Unique  3.46, 6.46 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 680, 688,
 &end
#
#   48 TRP  HE1          50 LYS  HA          4.50    (#   2022:20        Unique  3.84, 4.07 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 782, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 GLU  HN           40 LEU  HA          3.00    (#   2023:20        Unique  2.25, 2.38 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2025    49 LYS  HA          3.00    (#   2025:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 796,1007,
 &end
#
#   50 LYS  HN           49 LYS  HA          3.00    (#   2026:20        Unique  2.22, 2.23 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 818, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HN          114 ALA  HA          4.00    (#   2027:20        Unique  3.23, 3.45 A)
 &rst
  ixpk= 2027, nxpk= 20, iat=1831,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LYS  HN           50 LYS  HA          3.00    (#   2028:20        Unique  2.16, 2.37 A)
 &rst
  ixpk= 2028, nxpk= 20, iat= 840, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 LYS  HN           50 LYS  HA          3.00    (#   2029:20        Unique  2.89, 2.91 A)
 &rst
  ixpk= 2029, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 ASP  HN           89 ASP  HA          4.00    (#   2030:20        Unique  4.00, 4.07 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=1446,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 ASP  HN           21 ASP  HA          3.00    (#   2031:20        Unique  2.76, 2.91 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 335, 337, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 ALA  HN           21 ASP  HA          4.60    (#   2032:20        Unique  3.49, 3.51 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 347, 337, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    2 ALA  HN            1 MET  HA          5.00    (#   2033:20        Unique  2.14, 2.97 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HN          104 ASP  HA          3.00    (#   2034:20        Unique  2.28, 2.28 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP  HN           72 ASP  HA          3.00    (#   2036:20        Unique  2.77, 2.89 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           72 ASP  HA          5.60    (#   2037:20        Unique  4.60, 4.97 A)
 &rst
  ixpk= 2037, nxpk= 20, iat=1196,1171, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   32 TRP  HN           29 ALA  HA          4.00    (#   2039:20        Unique  3.65, 3.86 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 494, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 MET  HN           29 ALA  HA          4.00    (#   2040:20        Unique  3.49, 3.50 A)
 &rst
  ixpk= 2040, nxpk= 20, iat= 470, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 ALA  HN           29 ALA  HA          3.00    (#   2041:20        Unique  2.76, 2.79 A)
 &rst
  ixpk= 2041, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 GLY  HN           89 ASP  HA          5.00    (#   2043:20        Unique  3.44, 3.62 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=1386,1424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HN           89 ASP  HA          2.80    (#   2044:20        Unique  2.28, 2.29 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 GLU  HN           59 GLU  HA          2.80    (#   2045:20        Unique  2.14, 2.16 A)
 &rst
  ixpk= 2045, nxpk= 20, iat= 992, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  122 ARG  HN          121 ALA  HA          4.00    (#   2047:20        Unique  3.41, 3.52 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=1924,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 PHE  HN           41 GLU  HA          4.00    (#   2049:20        Unique  3.03, 3.14 A)
 &rst
  ixpk= 2049, nxpk= 20, iat= 672, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 LYS  HN          124 TYR  HA          5.00    (#   2050:20        Unique  2.89, 3.34 A)
 &rst
  ixpk= 2050, nxpk= 20, iat=1976,1957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HD+         124 TYR  HA          5.60    (#   2051:20        Unique  1.89, 4.06 A)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1963,1972,
 &end
#
#    0 AMB  20-2:2052   124 TYR  HA          4.00    (#   2052:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1963,1972,1955,
 &end
#
#  121 ALA  HN          121 ALA  HA          3.00    (#   2053:20        Unique  2.72, 2.75 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HN          121 ALA  HA          4.00    (#   2054:20        Unique  3.49, 3.80 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=1948,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 GLY  HN          122 ARG  HA          3.80    (#   2055:20        Unique  2.80, 3.19 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=1948,1926, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#   2056:20        Unique  2.75, 2.85 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ASP  HN          106 ASP  HA          3.00    (#   2057:20        Unique  2.71, 2.74 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HN          106 ASP  HA          3.00    (#   2058:20        Unique  2.88, 2.92 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=1674,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-         102 ALA  HA          3.50    (#   2060:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#    0 AMB  20-2:2061   102 ALA  HA          3.00    (#   2061:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1617, 750,
 &end
#
#  103 ILE  HN          102 ALA  HA          2.80    (#   2062:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 2062, nxpk= 20, iat=1627,1619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 GLU  HN           22 ALA  HA          3.40    (#   2063:20        Unique  2.15, 2.17 A)
 &rst
  ixpk= 2063, nxpk= 20, iat= 357, 349, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   24 ASP  HN           22 ALA  HA          4.40    (#   2064:20        Unique  3.23, 3.30 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 372, 349, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   22 ALA  HN           22 ALA  HA          3.60    (#   2065:20        Unique  2.71, 2.77 A)
 &rst
  ixpk= 2065, nxpk= 20, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    3 SER  HN            2 ALA  HA          5.00    (#   2067:20        Unique  2.15, 2.50 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  31,  23, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 ALA  HN           69 ALA  HA          3.50    (#   2070:20        Unique  2.81, 2.86 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLY  HN           31 GLY  HA+         3.00    (#   2078:20        Unique  2.29, 2.55 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 489, 490,
 &end
#
#   32 TRP  HN           31 GLY  HA+         3.50    (#   2079:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2079, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
#   32 TRP  HN           31 GLY  HA-         3.50    (#   2080:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2080, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
#   31 GLY  HN           31 GLY  HA-         3.00    (#   2081:20        Unique  2.29, 2.55 A)
 &rst
  ixpk= 2081, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 489, 490,
 &end
#
#   85 ILE  HN           86 GLY  HA+         5.00    (#   2083:20        Unique  4.78, 5.24 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1388,1389,
 &end
#
#   86 GLY  HN           86 GLY  HA+         3.00    (#   2084:20        Unique  2.71, 2.81 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1388,1389,
 &end
#
#   87 GLY  HN           86 GLY  HA+         3.00    (#   2085:20        Unique  2.93, 3.24 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1388,1389,
 &end
#
#   88 LYS  HN           87 GLY  HA-         3.50    (#   2087:20        Unique  2.28, 2.97 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:2088     0 AMB  20-1:2088   5.00    (#   2088:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1386,1355,
 igr2=1395,1396,1395,1396,
 &end
#
#    0 AMB  20-2:2089     0 AMB  20-1:2089   6.50    (#   2089:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
 igr1=1367,1434,
 igr2=1395,1396,1395,1396,
 &end
#
#   88 LYS  HN           87 GLY  HA+         3.50    (#   2090:20        Unique  2.28, 2.97 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#   87 GLY  HN           87 GLY  HA-         3.00    (#   2091:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1395,1396,
 &end
#
#   87 GLY  HN           87 GLY  HA+         3.00    (#   2092:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 2092, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1395,1396,
 &end
#
#  103 ILE  HN           46 GLY  HA+         3.50    (#   2093:20        Unique  1.97, 2.89 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#   47 LYS  HN           46 GLY  HA+         3.00    (#   2094:20        Unique  2.15, 2.59 A)
 &rst
  ixpk= 2094, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#    0 AMB  20-2:2096     0 AMB  20-1:2096   4.50    (#   2096:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1955,1963,1972,
 igr2=1950,1951,1950,1951,
 &end
#
#  122 ARG  HN          123 GLY  HA+         5.50    (#   2097:20        Unique  4.85, 5.15 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1950,1951,
 &end
#
#  123 GLY  HN          123 GLY  HA+         3.00    (#   2098:20        Unique  2.29, 2.62 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1950,1951,
 &end
#
#  123 GLY  HN          123 GLY  HA-         3.00    (#   2099:20        Unique  2.29, 2.62 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1950,1951,
 &end
#
#    0 AMB  20-2:2100   123 GLY  HA-         4.50    (#   2100:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1955,1963,1972,
 igr2=1950,1951,
 &end
#
#   68 MET  HN           67 GLY  HA+         3.40    (#   2104:20        Unique  2.17, 2.93 A)
 &rst
  ixpk= 2104, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1111,1112,
 &end
#
#   67 GLY  HN           67 GLY  HA+         3.00    (#   2105:20        Unique  2.49, 2.76 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   68 MET  HN           67 GLY  HA-         3.00    (#   2108:20        Unique  2.17, 2.93 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   67 GLY  HN           67 GLY  HA-         3.00    (#   2109:20        Unique  2.49, 2.76 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#    0 AMB  20-2:2113     0 AMB  20-1:2113   3.50    (#   2113:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 151, 207,
 igr2= 148, 149, 204, 205,
 &end
#
#    6 ARG  HN            6 ARG  HD-         4.50    (#   2115:20        Unique  1.84, 3.39 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  83,  84,
 &end
#
#   66 LEU  HN           66 LEU  HB+         3.50    (#   2117:20        Unique  2.22, 2.96 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   67 GLY  HN           66 LEU  HB+         4.50    (#   2118:20        Unique  3.17, 3.71 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1094,1095,
 &end
#
#   78 MET  HN           77 ASP  HB+         4.00    (#   2120:20        Unique  2.49, 3.43 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   79 TYR  HD           77 ASP  HB+         4.00    (#   2121:20        Unique  2.41, 5.59 A)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1285,1294,
 igr2=1252,1253,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.00    (#   2122:20        Unique  2.45, 3.36 A)
 &rst
  ixpk= 2122, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#  124 TYR  HE           77 ASP  HB-         5.50    (#   2123:20        Unique  1.97, 4.73 A)
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1965,1970,
 igr2=1252,1253,
 &end
#
#   77 ASP  HN           77 ASP  HB-         4.00    (#   2124:20        Unique  2.45, 3.36 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   79 TYR  HD           77 ASP  HB-         4.00    (#   2125:20        Unique  2.41, 5.59 A)
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1285,1294,
 igr2=1252,1253,
 &end
#
#    0 AMB  20-2:2126     0 AMB  20-1:2126   4.00    (#   2126:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1260,  97,
 igr2=1252,1253, 101, 102,
 &end
#
#   24 ASP  HA           24 ASP  HB+         3.00    (#   2127:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 2127, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           24 ASP  HB+         3.80    (#   2128:20        Unique  2.11, 3.36 A)
 &rst
  ixpk= 2128, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 376, 377,
 &end
#
#   24 ASP  HN           24 ASP  HB+         3.00    (#   2129:20        Unique  2.13, 2.79 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           24 ASP  HB-         4.00    (#   2130:20        Unique  2.11, 3.36 A)
 &rst
  ixpk= 2130, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 376, 377,
 &end
#
#   27 GLU  HN           24 ASP  HB-         3.50    (#   2131:20        Unique  2.13, 2.84 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   24 ASP  HA           24 ASP  HB-         3.00    (#   2132:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 2132, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#    7 ASP  HA            7 ASP  HB-         4.00    (#   2133:20        Unique  2.36, 2.77 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 101, 102,
 &end
#
#    7 ASP  HA            7 ASP  HB+         5.50    (#   2134:20        Unique  2.36, 2.77 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 101, 102,
 &end
#
#   24 ASP  HN           24 ASP  HB-         3.80    (#   2135:20        Unique  2.13, 2.79 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 376, 377,
 &end
#
#   96 LYS  HN           96 LYS  HE+         3.50    (#   2138:20        Unique  1.77, 3.04 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1532,1533,
 &end
#
#   38 ASP  HN           38 ASP  HB+         2.80    (#   2140:20        Unique  2.20, 2.54 A)
 &rst
  ixpk= 2140, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 616, 617,
 &end
#
#   37 ASP  HN           37 ASP  HB+         3.00    (#   2141:20        Unique  2.07, 2.67 A)
 &rst
  ixpk= 2141, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#    0 AMB  20-2:2142     0 AMB  20-1:2142   6.00    (#   2142:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 638,1133,
 igr2= 616, 617, 604, 605, 604, 605,
 &end
#
#   38 ASP  HN            0 AMB  20-1:2143   2.80    (#   2143:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2143, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 616, 617, 604, 605,
 &end
#
#   37 ASP  HN           37 ASP  HB-         3.00    (#   2145:20        Unique  2.07, 2.67 A)
 &rst
  ixpk= 2145, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   38 ASP  HN           37 ASP  HB-         4.00    (#   2146:20        Unique  2.46, 3.32 A)
 &rst
  ixpk= 2146, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 604, 605,
 &end
#
#   26 GLU  HN           25 LYS  HE+         4.00    (#   2147:20        Unique  2.04, 3.48 A)
 &rst
  ixpk= 2147, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 397, 398,
 &end
#
#   76 LYS  HN           76 LYS  HE+         5.00    (#   2149:20        Unique  3.78, 4.92 A)
 &rst
  ixpk= 2149, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1239,1240,
 &end
#
#   48 TRP  HZ3          96 LYS  HE-         6.00    (#   2150:20        Unique  2.01, 2.93 A)
 &rst
  ixpk= 2150, nxpk= 20, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1532,1533,
 &end
#
#   96 LYS  HN           96 LYS  HE-         4.50    (#   2151:20        Unique  1.77, 3.04 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1532,1533,
 &end
#
#  120 LEU  HN          120 LEU  HB+         3.00    (#   2155:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 2155, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1899,1900,
 &end
#
#  121 ALA  HN          120 LEU  HB+         4.00    (#   2156:20        Unique  2.49, 3.35 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#  120 LEU  HN          120 LEU  HB-         4.00    (#   2157:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#   48 TRP  HE1          99 ASP  HB-         3.50    (#   2160:20        Unique  2.11, 2.82 A)
 &rst
  ixpk= 2160, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:2161     0 AMB  20-1:2161   3.00    (#   2161:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1355,1386,
 igr2=1359,1360,1359,1360,
 &end
#
#    0 AMB  20-2:2162     0 AMB  20-1:2162   4.80    (#   2162:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1367,1434,
 igr2=1359,1360,1359,1360,
 &end
#
#  107 ASP  HN          106 ASP  HB+         3.30    (#   2163:20        Unique  2.08, 2.89 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1678,1679,
 &end
#
#   47 LYS  HN           47 LYS  HE+         6.00    (#   2164:20        Unique  4.60, 5.20 A)
 &rst
  ixpk= 2164, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 763, 764,
 &end
#
#   47 LYS  HA           47 LYS  HE+         5.00    (#   2165:20        Unique  2.10, 4.22 A)
 &rst
  ixpk= 2165, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 763, 764,
 &end
#
#  107 ASP  HN          106 ASP  HB-         4.00    (#   2166:20        Unique  2.08, 2.89 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1678,1679,
 &end
#
#   48 TRP  HZ2+         50 LYS  HE+         4.00    (#   2167:20        Unique  3.72, 4.90 A)
 &rst
  ixpk= 2167, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 831, 832,
 &end
#
#   75 LEU  HN           75 LEU  HB-         4.00    (#   2168:20        Unique  2.48, 3.32 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1211,1212,
 &end
#
#   75 LEU  HN           75 LEU  HB+         4.00    (#   2169:20        Unique  2.48, 3.32 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1211,1212,
 &end
#
#   97 LEU  HN           97 LEU  HB-         6.00    (#   2170:20        Unique  2.20, 2.98 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1545,1546,
 &end
#
#  121 ALA  HN          120 LEU  HB-         4.00    (#   2171:20        Unique  2.49, 3.35 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#  120 LEU  HN          120 LEU  HB-         3.50    (#   2172:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1899,1900,
 &end
#
#   48 TRP  HE1          99 ASP  HB+         3.50    (#   2175:20        Unique  2.11, 2.82 A)
 &rst
  ixpk= 2175, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#   99 ASP  HN           99 ASP  HB+         3.00    (#   2176:20        Unique  3.00, 3.29 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1575,1576,
 &end
#
#   99 ASP  HA           99 ASP  HB+         3.00    (#   2177:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1575,1576,
 &end
#
#   48 TRP  HD-          99 ASP  HB+         4.00    (#   2178:20        Unique  2.62, 3.69 A)
 &rst
  ixpk= 2178, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1575,1576,
 &end
#
#   48 TRP  HD+          99 ASP  HB+         4.00    (#   2179:20        Unique  2.62, 3.69 A)
 &rst
  ixpk= 2179, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1575,1576,
 &end
#
#   44 PHE  HN           44 PHE  HB+         4.00    (#   2180:20        Unique  3.06, 3.63 A)
 &rst
  ixpk= 2180, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   44 PHE  HD+          44 PHE  HB+         3.50    (#   2181:20        Unique  2.35, 3.03 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 714, 722,
 igr2= 710, 711,
 &end
#
#   44 PHE  HA           44 PHE  HB-         3.00    (#   2182:20        Unique  2.26, 2.47 A)
 &rst
  ixpk= 2182, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 710, 711,
 &end
#
#   99 ASP  HN           99 ASP  HB-         4.00    (#   2183:20        Unique  3.00, 3.29 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1575,1576,
 &end
#
#   99 ASP  HA           99 ASP  HB-         3.00    (#   2184:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 2184, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1575,1576,
 &end
#
#   48 TRP  HD-          99 ASP  HB-         4.00    (#   2185:20        Unique  2.62, 3.69 A)
 &rst
  ixpk= 2185, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:2186     0 AMB  20-1:2186   6.00    (#   2186:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1355,1029,1345,1059,
 igr2=1020,1021,1020,1021,1020,1021,1020,1021,
 &end
#
#    0 AMB  20-2:2187     0 AMB  20-1:2187   5.00    (#   2187:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1482,1491, 789,
 igr2=1020,1021,1020,1021,
 &end
#
#    0 AMB  20-2:2188     0 AMB  20-1:2188   5.00    (#   2188:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1386,1355,1029,
 igr2=1426,1427,1020,1021,1426,1427,
 &end
#
#    0 AMB  20-2:2189    61 LYS  HE-         5.00    (#   2189:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1482,1491, 789,
 igr2=1020,1021,
 &end
#
#   79 TYR  HN           79 TYR  HB+         4.00    (#   2190:20        Unique  2.66, 3.38 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#   80 VAL  HN           79 TYR  HB+         4.00    (#   2191:20        Unique  1.86, 3.07 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#   79 TYR  HD           79 TYR  HB+         3.50    (#   2192:20        Unique  2.31, 3.05 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1285,1294,
 igr2=1281,1282,
 &end
#
#    0 AMB  20-2:2193     0 AMB  20-1:2193   5.00    (#   2193:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1497,1347,
 igr2=1281,1282,1359,1360,1450,1451,
 &end
#
#    0 AMB  20-2:2194    84 ASP  HB-         3.80    (#   2194:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1355,1386,
 igr2=1359,1360,
 &end
#
#   93 TYR  HD-           0 AMB  20-1:2197   3.50    (#   2197:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1482,1491,
 igr2=1478,1479,1450,1451,
 &end
#
#   45 MET  HN           44 PHE  HB+         4.00    (#   2201:20        Unique  3.01, 3.77 A)
 &rst
  ixpk= 2201, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   44 PHE  HD-          44 PHE  HB+         3.50    (#   2202:20        Unique  2.35, 3.03 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 714, 722,
 igr2= 710, 711,
 &end
#
#   44 PHE  HA           44 PHE  HB+         3.00    (#   2203:20        Unique  2.26, 2.47 A)
 &rst
  ixpk= 2203, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 710, 711,
 &end
#
#   45 MET  HN           44 PHE  HB-         4.50    (#   2204:20        Unique  3.01, 3.77 A)
 &rst
  ixpk= 2204, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#    0 AMB  20-2:2205    44 PHE  HB-         3.50    (#   2205:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 714, 722, 680, 688,
 igr2= 710, 711,
 &end
#
#    0 AMB  20-2:2206     0 AMB  20-1:2206   3.00    (#   2206:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 789,1482,1491,
 igr2=1478,1479,1478,1479,
 &end
#
#   93 TYR  HA           93 TYR  HB+         3.00    (#   2207:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 2207, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1478,1479,
 &end
#
#   94 THR  HN           93 TYR  HB+         3.80    (#   2208:20        Unique  2.40, 2.84 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1478,1479,
 &end
#
#   91 ASP  HN           89 ASP  HB+         5.50    (#   2210:20        Unique  4.37, 4.96 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1426,1427,
 &end
#
#   90 ASP  HN           89 ASP  HB+         3.00    (#   2211:20        Unique  2.10, 3.11 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1426,1427,
 &end
#
#   80 VAL  HN           79 TYR  HB+         4.00    (#   2212:20        Unique  1.86, 3.07 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#    0 AMB  20-2:2214    89 ASP  HB-         3.50    (#   2214:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1434,1422,
 igr2=1426,1427,
 &end
#
#   91 ASP  HN           91 ASP  HB+         3.00    (#   2215:20        Unique  2.20, 2.94 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   92 VAL  HN           91 ASP  HB+         3.60    (#   2216:20        Unique  2.82, 3.61 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1450,1451,
 &end
#
#   94 THR  HN           93 TYR  HB-         3.50    (#   2217:20        Unique  2.40, 2.84 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1478,1479,
 &end
#
#   91 ASP  HN           91 ASP  HB-         4.00    (#   2218:20        Unique  2.20, 2.94 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#    0 AMB  20-2:2219    93 TYR  HB-         3.50    (#   2219:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 789,1482,1491,
 igr2=1478,1479,
 &end
#
#   93 TYR  HA           93 TYR  HB-         3.00    (#   2221:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1478,1479,
 &end
#
#   93 TYR  HN           93 TYR  HB-         4.00    (#   2222:20        Unique  2.82, 3.38 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1478,1479,
 &end
#
#   93 TYR  HN           93 TYR  HB+         4.00    (#   2228:20        Unique  2.82, 3.38 A)
 &rst
  ixpk= 2228, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1478,1479,
 &end
#
#   93 TYR  HD-          93 TYR  HB+         4.50    (#   2229:20        Unique  2.31, 3.06 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1491,
 igr2=1478,1479,
 &end
#
#  107 ASP  HN          107 ASP  HB-         3.00    (#   2235:20        Unique  2.09, 2.94 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#  118 TYR  HN          117 LEU  HB-         3.80    (#   2236:20        Unique  2.60, 3.19 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#  117 LEU  HN          117 LEU  HB-         3.80    (#   2237:20        Unique  2.24, 3.01 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#  117 LEU  HN          117 LEU  HB+         3.50    (#   2238:20        Unique  2.24, 3.01 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1835,1836,
 &end
#
#  118 TYR  HN          117 LEU  HB+         3.80    (#   2239:20        Unique  2.60, 3.19 A)
 &rst
  ixpk= 2239, nxpk= 20, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#   36 LEU  HN           36 LEU  HB+         4.00    (#   2240:20        Unique  2.07, 2.54 A)
 &rst
  ixpk= 2240, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 585, 586,
 &end
#
#  107 ASP  HN          107 ASP  HB+         3.00    (#   2242:20        Unique  2.09, 2.94 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#   91 ASP  HN           90 ASP  HB+         3.50    (#   2244:20        Unique  3.12, 3.68 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1438,1439,
 &end
#
#   36 LEU  HN           36 LEU  HB+         3.00    (#   2245:20        Unique  2.07, 2.54 A)
 &rst
  ixpk= 2245, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 585, 586,
 &end
#
#   22 ALA  HN           21 ASP  HB-         4.60    (#   2246:20        Unique  2.21, 3.32 A)
 &rst
  ixpk= 2246, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 339, 340,
 &end
#
#   45 MET  HN          103 ILE  HB          5.50    (#   2248:20        Unique  4.92, 5.07 A)
 &rst
  ixpk= 2248, nxpk= 20, iat= 726,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HN           21 ASP  HB+         3.00    (#   2249:20        Unique  2.35, 2.76 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#   22 ALA  HN           21 ASP  HB+         4.60    (#   2250:20        Unique  2.21, 3.32 A)
 &rst
  ixpk= 2250, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 339, 340,
 &end
#
#   47 LYS  HN          103 ILE  HB          4.40    (#   2251:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 2251, nxpk= 20, iat= 750,1631, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  103 ILE  HN          103 ILE  HB          3.00    (#   2252:20        Unique  2.21, 2.37 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-         103 ILE  HB          4.80    (#   2253:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 745, 746,
 &end
#
#  115 ASP  HN          115 ASP  HB+         3.50    (#   2254:20        Unique  2.08, 2.82 A)
 &rst
  ixpk= 2254, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          115 ASP  HB+         3.50    (#   2255:20        Unique  2.52, 2.98 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          115 ASP  HB-         3.50    (#   2256:20        Unique  2.52, 2.98 A)
 &rst
  ixpk= 2256, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  115 ASP  HN          115 ASP  HB-         3.50    (#   2257:20        Unique  2.08, 2.82 A)
 &rst
  ixpk= 2257, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  108 ASP  HN          108 ASP  HB+         3.00    (#   2258:20        Unique  2.07, 2.76 A)
 &rst
  ixpk= 2258, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#  108 ASP  HN          108 ASP  HB-         3.60    (#   2259:20        Unique  2.07, 2.76 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1702,1703,
 &end
#
#  109 THR  HN          108 ASP  HB-         3.50    (#   2260:20        Unique  2.52, 2.89 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   40 LEU  HN           40 LEU  HB+         3.50    (#   2262:20        Unique  2.10, 2.83 A)
 &rst
  ixpk= 2262, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#   41 GLU  HN           40 LEU  HB+         4.20    (#   2263:20        Unique  2.56, 3.49 A)
 &rst
  ixpk= 2263, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 642, 643,
 &end
#
#   40 LEU  HN           40 LEU  HB-         3.50    (#   2264:20        Unique  2.10, 2.83 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#   44 PHE  HE+          40 LEU  HB-         6.60    (#   2265:20        Unique  2.48, 5.45 A)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 716, 720,
 igr2= 642, 643,
 &end
#
#  118 TYR  HE          115 ASP  HB+         5.00    (#   2266:20        Unique  3.91, 6.58 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1860,1865,
 igr2=1799,1800,
 &end
#
#   42 PHE  HD+          42 PHE  HB-         3.50    (#   2267:20        Unique  2.33, 3.04 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 688,
 igr2= 676, 677,
 &end
#
#    0 AMB  20-2:2268    42 PHE  HB-         3.00    (#   2268:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 680, 688, 714, 722,
 igr2= 676, 677,
 &end
#
#   33 TYR  HN           33 TYR  HB+         3.00    (#   2269:20        Unique  2.29, 2.54 A)
 &rst
  ixpk= 2269, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   34 TYR  HN           33 TYR  HB+         4.40    (#   2270:20        Unique  2.27, 3.09 A)
 &rst
  ixpk= 2270, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 522, 523,
 &end
#
#   72 ASP  HN           72 ASP  HB+         3.30    (#   2271:20        Unique  2.56, 3.20 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1173,1174,
 &end
#
#   42 PHE  HD+          42 PHE  HB+         3.50    (#   2272:20        Unique  2.33, 3.04 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 688,
 igr2= 676, 677,
 &end
#
#   42 PHE  HN           42 PHE  HB+         3.80    (#   2273:20        Unique  2.15, 2.86 A)
 &rst
  ixpk= 2273, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 676, 677,
 &end
#
#    0 AMB  20-2:2274     0 AMB  20-1:2274   3.50    (#   2274:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 680, 688, 714, 722,
 igr2= 676, 677, 676, 677,
 &end
#
#   72 ASP  HN           72 ASP  HB-         3.60    (#   2275:20        Unique  2.56, 3.20 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1173,1174,
 &end
#
#   35 TYR  HN           35 TYR  HB+         3.50    (#   2276:20        Unique  2.12, 3.00 A)
 &rst
  ixpk= 2276, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 564, 565,
 &end
#
#   35 TYR  HD+          35 TYR  HB+         3.50    (#   2277:20        Unique  2.31, 3.05 A)
 &rst
  ixpk= 2277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 568, 577,
 igr2= 564, 565,
 &end
#
#   34 TYR  HN           33 TYR  HB-         3.50    (#   2278:20        Unique  2.27, 3.09 A)
 &rst
  ixpk= 2278, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 522, 523,
 &end
#
#   42 PHE  HN           42 PHE  HB-         3.50    (#   2279:20        Unique  2.15, 2.86 A)
 &rst
  ixpk= 2279, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 676, 677,
 &end
#
#   43 PRO  HA           42 PHE  HB-         4.00    (#   2281:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 2281, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#  104 ASP  HN          104 ASP  HB+         3.00    (#   2282:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1650,1651,
 &end
#
#  105 VAL  HN          104 ASP  HB+         4.80    (#   2283:20        Unique  4.19, 4.40 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1650,1651,
 &end
#
#  104 ASP  HN          104 ASP  HB-         3.80    (#   2284:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1650,1651,
 &end
#
#  105 VAL  HN          104 ASP  HB-         4.00    (#   2285:20        Unique  4.19, 4.40 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1650,1651,
 &end
#
#   58 ILE  HN           58 ILE  HB          3.50    (#   2287:20        Unique  2.32, 3.09 A)
 &rst
  ixpk= 2287, nxpk= 20, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  118 TYR  HD-         118 TYR  HB+         3.60    (#   2288:20        Unique  2.32, 3.07 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1858,1867,
 igr2=1854,1855,
 &end
#
#  100 ILE  HA          100 ILE  HB          3.50    (#   2289:20        Unique  2.59, 2.73 A)
 &rst
  ixpk= 2289, nxpk= 20, iat=1585,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ILE  HN          100 ILE  HB          3.00    (#   2290:20        Unique  2.78, 2.92 A)
 &rst
  ixpk= 2290, nxpk= 20, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 GLU  HN          100 ILE  HB          4.00    (#   2291:20        Unique  3.95, 4.03 A)
 &rst
  ixpk= 2291, nxpk= 20, iat=1602,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HN           14 ILE  HB          4.00    (#   2292:20        Unique  2.95, 3.40 A)
 &rst
  ixpk= 2292, nxpk= 20, iat= 237, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  HN           14 ILE  HB          2.80    (#   2293:20        Unique  2.12, 2.21 A)
 &rst
  ixpk= 2293, nxpk= 20, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#   2294:20        Unique  2.09, 2.95 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#  118 TYR  HD-         118 TYR  HB-         4.00    (#   2295:20        Unique  2.32, 3.07 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1858,1867,
 igr2=1854,1855,
 &end
#
#    0 AMB  20-2:2296   118 TYR  HB-         3.00    (#   2296:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1871,1850,
 igr2=1854,1855,
 &end
#
#    0 AMB  20-2:2297     0 AMB  20-1:2297   3.00    (#   2297:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1871,1850,
 igr2=1854,1855,1854,1855,
 &end
#
#  114 ALA  HN          113 ILE  HB          2.80    (#   2299:20        Unique  2.24, 2.29 A)
 &rst
  ixpk= 2299, nxpk= 20, iat=1785,1770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  113 ILE  HN          113 ILE  HB          3.00    (#   2300:20        Unique  2.42, 2.52 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HN          126 PHE  HB+         4.00    (#   2303:20        Unique  2.66, 3.35 A)
 &rst
  ixpk= 2303, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#  126 PHE  HD-         126 PHE  HB+         3.50    (#   2304:20        Unique  2.29, 3.04 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2006,2014,
 igr2=2002,2003,
 &end
#
#   85 ILE  HN           85 ILE  HB          4.00    (#   2305:20        Unique  3.60, 3.63 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 VAL  HA           85 ILE  HB          5.00    (#   2306:20        Unique  4.72, 4.84 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=1045,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HN           18 ILE  HB          3.00    (#   2307:20        Unique  1.91, 2.40 A)
 &rst
  ixpk= 2307, nxpk= 20, iat= 300, 285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ILE  HN           18 ILE  HB          3.00    (#   2308:20        Unique  2.36, 2.46 A)
 &rst
  ixpk= 2308, nxpk= 20, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HN          126 PHE  HB-         4.00    (#   2310:20        Unique  2.66, 3.35 A)
 &rst
  ixpk= 2310, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#   34 TYR  HN           34 TYR  HB+         3.00    (#   2311:20        Unique  2.24, 2.93 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   35 TYR  HN           34 TYR  HB+         3.20    (#   2312:20        Unique  2.40, 2.75 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD-          34 TYR  HB+         3.50    (#   2313:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD+          34 TYR  HB+         3.50    (#   2314:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#  126 PHE  HD+         126 PHE  HB+         3.50    (#   2315:20        Unique  2.29, 3.04 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2006,2014,
 igr2=2002,2003,
 &end
#
#   35 TYR  HN           34 TYR  HB-         3.50    (#   2316:20        Unique  2.40, 2.75 A)
 &rst
  ixpk= 2316, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD+          34 TYR  HB-         3.50    (#   2317:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD-          34 TYR  HB-         3.50    (#   2318:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   34 TYR  HN           34 TYR  HB-         3.00    (#   2319:20        Unique  2.24, 2.93 A)
 &rst
  ixpk= 2319, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   26 GLU  HN           26 GLU  HG+         3.00    (#   2320:20        Unique  2.47, 3.13 A)
 &rst
  ixpk= 2320, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   23 GLU  HN           27 GLU  HG-         5.10    (#   2322:20        Unique  3.44, 4.07 A)
 &rst
  ixpk= 2322, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 428, 429,
 &end
#
#   19 ILE  HN           19 ILE  HB          4.00    (#   2323:20        Unique  3.29, 3.52 A)
 &rst
  ixpk= 2323, nxpk= 20, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HN           19 ILE  HB          7.50    (#   2324:20        Unique  2.75, 3.42 A)
 &rst
  ixpk= 2324, nxpk= 20, iat= 319, 304, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,  &end
#
#   60 GLU  HN           60 GLU  HG+         3.00    (#   2326:20        Unique  2.16, 3.16 A)
 &rst
  ixpk= 2326, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 999,1000,
 &end
#
#   60 GLU  HA           60 GLU  HG+         3.00    (#   2327:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2327, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 999,1000,
 &end
#
#   64 GLU  HN           64 GLU  HG-         4.40    (#   2329:20        Unique  4.41, 4.52 A)
 &rst
  ixpk= 2329, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:2330    27 GLU  HG-         4.00    (#   2330:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 406, 436,
 igr2= 428, 429,
 &end
#
#   24 ASP  HN           27 GLU  HG-         4.00    (#   2331:20        Unique  3.23, 3.41 A)
 &rst
  ixpk= 2331, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 428, 429,
 &end
#
#   27 GLU  HN           27 GLU  HG-         3.00    (#   2332:20        Unique  1.90, 2.72 A)
 &rst
  ixpk= 2332, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#   27 GLU  HN           27 GLU  HG+         3.00    (#   2333:20        Unique  1.90, 2.72 A)
 &rst
  ixpk= 2333, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#   65 VAL  HN           64 GLU  HG+         4.00    (#   2334:20        Unique  2.49, 3.50 A)
 &rst
  ixpk= 2334, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:2335     0 AMB  20-1:2335   4.40    (#   2335:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1007, 796,1090,
 igr2= 999,1000,1066,1067,
 &end
#
#   60 GLU  HN           60 GLU  HG-         3.00    (#   2336:20        Unique  2.16, 3.16 A)
 &rst
  ixpk= 2336, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 999,1000,
 &end
#
#   60 GLU  HA           60 GLU  HG-         3.60    (#   2337:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2337, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 999,1000,
 &end
#
#   65 VAL  HN           64 GLU  HG-         3.00    (#   2339:20        Unique  2.49, 3.50 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:2340     0 AMB  20-1:2340   6.00    (#   2340:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1474,1509,
 igr2=1321,1322,1321,1322,
 &end
#
#   24 ASP  HN           23 GLU  HG+         4.80    (#   2342:20        Unique  4.44, 4.79 A)
 &rst
  ixpk= 2342, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 364, 365,
 &end
#
#   63 VAL  HN           63 VAL  HB          4.50    (#   2343:20        Unique  3.41, 3.81 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLU  HN           81 GLU  HG+         3.00    (#   2345:20        Unique  2.79, 3.47 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1321,1322,
 &end
#
#   81 GLU  HA           81 GLU  HG+         3.00    (#   2346:20        Unique  2.20, 2.64 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:2347    81 GLU  HG-         6.00    (#   2347:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1474,1509,
 igr2=1321,1322,
 &end
#
#   81 GLU  HA           81 GLU  HG-         3.50    (#   2348:20        Unique  2.20, 2.64 A)
 &rst
  ixpk= 2348, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1321,1322,
 &end
#
#   82 VAL  HN           81 GLU  HG-         5.40    (#   2349:20        Unique  4.03, 4.63 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1321,1322,
 &end
#
#   81 GLU  HN           81 GLU  HG-         3.00    (#   2350:20        Unique  2.79, 3.47 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1321,1322,
 &end
#
#   16 THR  HN           15 GLU  HG+         4.00    (#   2351:20        Unique  2.48, 3.14 A)
 &rst
  ixpk= 2351, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 244, 245,
 &end
#
#   15 GLU  HN           15 GLU  HG+         4.00    (#   2352:20        Unique  3.81, 4.17 A)
 &rst
  ixpk= 2352, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 244, 245,
 &end
#
#    6 ARG  HN            5 GLU  HG-         5.00    (#   2353:20        Unique  2.45, 3.26 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    5 GLU  HN            5 GLU  HG-         4.00    (#   2354:20        Unique  2.14, 3.23 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  65,  66,
 &end
#
#    6 ARG  HN            5 GLU  HG+         5.30    (#   2355:20        Unique  2.45, 3.26 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=  65,  66,
 &end
#
#    5 GLU  HN            5 GLU  HG+         4.00    (#   2356:20        Unique  2.14, 3.23 A)
 &rst
  ixpk= 2356, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  65,  66,
 &end
#
#  111 GLU  HN          111 GLU  HG+         3.00    (#   2357:20        Unique  2.11, 2.90 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1748,1749,
 &end
#
#   16 THR  HN           15 GLU  HG-         3.60    (#   2358:20        Unique  2.48, 3.14 A)
 &rst
  ixpk= 2358, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 244, 245,
 &end
#
#   23 GLU  HN           23 GLU  HG-         3.60    (#   2359:20        Unique  2.87, 3.36 A)
 &rst
  ixpk= 2359, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 364, 365,
 &end
#
#    0 AMB  20-2:2360     0 AMB  20-1:2360   4.40    (#   2360:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1181, 252,
 igr2=1188,1189, 273, 274,
 &end
#
#   64 GLU  HN           63 VAL  HB          2.80    (#   2361:20        Unique  2.05, 2.30 A)
 &rst
  ixpk= 2361, nxpk= 20, iat=1059,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   85 ILE  HN           63 VAL  HB          5.00    (#   2362:20        Unique  3.88, 4.26 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=1367,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HA           63 VAL  HB          5.00    (#   2363:20        Unique  3.79, 4.18 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=1331,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 VAL  HA           63 VAL  HB          3.00    (#   2364:20        Unique  2.35, 2.51 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ILE  HN           15 GLU  HG+         7.00    (#   2366:20        Unique  6.46, 6.93 A)
 &rst
  ixpk= 2366, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 244, 245,
 &end
#
#  102 ALA  HN          101 GLU  HG+         3.00    (#   2367:20        Unique  1.90, 3.62 A)
 &rst
  ixpk= 2367, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1609,1610,
 &end
#
#  112 ALA  HN          111 GLU  HG+         5.00    (#   2368:20        Unique  4.40, 4.63 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1748,1749,
 &end
#
#  112 ALA  HN          111 GLU  HG+         5.00    (#   2369:20        Unique  4.40, 4.63 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1748,1749,
 &end
#
#   17 GLU  HN           17 GLU  HG-         4.50    (#   2370:20        Unique  2.90, 3.52 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 273, 274,
 &end
#
#   18 ILE  HN           17 GLU  HG-         4.60    (#   2371:20        Unique  4.17, 4.54 A)
 &rst
  ixpk= 2371, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:2372     0 AMB  20-1:2372   3.30    (#   2372:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 977, 862,
 igr2= 984, 985, 984, 985,
 &end
#
#   17 GLU  HN           17 GLU  HG+         4.00    (#   2373:20        Unique  2.90, 3.52 A)
 &rst
  ixpk= 2373, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 273, 274,
 &end
#
#   18 ILE  HN           17 GLU  HG+         5.00    (#   2374:20        Unique  4.17, 4.54 A)
 &rst
  ixpk= 2374, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:2376    59 GLU  HG-         3.60    (#   2376:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 977, 862,
 igr2= 984, 985,
 &end
#
#   42 PHE  HN           41 GLU  HG+         4.50    (#   2377:20        Unique  3.13, 3.84 A)
 &rst
  ixpk= 2377, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 664, 665,
 &end
#
#   41 GLU  HN           41 GLU  HG+         3.90    (#   2378:20        Unique  2.05, 3.03 A)
 &rst
  ixpk= 2378, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 664, 665,
 &end
#
#   44 PHE  HN           43 PRO  HB-         4.00    (#   2379:20        Unique  2.81, 3.29 A)
 &rst
  ixpk= 2379, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#  102 ALA  HN          101 GLU  HG-         3.00    (#   2380:20        Unique  1.90, 3.62 A)
 &rst
  ixpk= 2380, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1609,1610,
 &end
#
#  126 PHE  HN          125 LYS  HB+         4.00    (#   2381:20        Unique  2.73, 4.10 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  125 LYS  HN          125 LYS  HB+         4.00    (#   2382:20        Unique  2.77, 3.67 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  126 PHE  HN          125 LYS  HB-         4.80    (#   2383:20        Unique  2.73, 4.10 A)
 &rst
  ixpk= 2383, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1980,1981,
 &end
#
#  125 LYS  HN          125 LYS  HB-         4.00    (#   2384:20        Unique  2.77, 3.67 A)
 &rst
  ixpk= 2384, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#   48 TRP  HN           61 LYS  HB-         4.50    (#   2386:20        Unique  3.41, 3.90 A)
 &rst
  ixpk= 2386, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1011,1012,
 &end
#
#   62 THR  HN           61 LYS  HB-         5.00    (#   2387:20        Unique  4.00, 4.38 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HB-         3.00    (#   2388:20        Unique  2.33, 2.81 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:2389    61 LYS  HB-         5.00    (#   2389:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 791, 780,
 igr2=1011,1012,
 &end
#
#   48 TRP  HN           61 LYS  HB+         4.50    (#   2391:20        Unique  3.41, 3.90 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1011,1012,
 &end
#
#   62 THR  HN           61 LYS  HB+         5.00    (#   2392:20        Unique  4.00, 4.38 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HB+         3.00    (#   2393:20        Unique  2.33, 2.81 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1011,1012,
 &end
#
#   60 GLU  HA           61 LYS  HB+         5.00    (#   2395:20        Unique  3.98, 4.68 A)
 &rst
  ixpk= 2395, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:2396     0 AMB  20-1:2396   4.40    (#   2396:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 791, 780,
 igr2=1011,1012,1011,1012,
 &end
#
#    7 ASP  HA            8 GLU  HG+         5.50    (#   2399:20        Unique  3.18, 3.90 A)
 &rst
  ixpk= 2399, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 116, 117,
 &end
#
#    8 GLU  HN            8 GLU  HG+         3.00    (#   2400:20        Unique  2.39, 3.26 A)
 &rst
  ixpk= 2400, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 116, 117,
 &end
#
#    9 THR  HN            8 GLU  HG+         5.00    (#   2401:20        Unique  4.41, 4.73 A)
 &rst
  ixpk= 2401, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 116, 117,
 &end
#
#   82 VAL  HA           82 VAL  HB          3.00    (#   2402:20        Unique  2.36, 2.57 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 GLU  HN           11 GLU  HG+         4.50    (#   2403:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2403, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 169, 170,
 &end
#
#   11 GLU  HN           11 GLU  HG-         4.00    (#   2404:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2404, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 169, 170,
 &end
#
#   12 HIS  HN           11 GLU  HG-         4.50    (#   2405:20        Unique  2.52, 4.10 A)
 &rst
  ixpk= 2405, nxpk= 20, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 169, 170,
 &end
#
#   67 GLY  HN           80 VAL  HB          4.40    (#   2406:20        Unique  2.27, 3.08 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=1109,1302, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:2407    82 VAL  HB          4.00    (#   2407:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1345,1059,1329,
 &end
#
#   78 MET  HA           78 MET  HB-         3.50    (#   2408:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1264,1265,
 &end
#
#   76 LYS  HA           76 LYS  HB+         3.00    (#   2411:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:2412     0 AMB  20-1:2412   5.50    (#   2412:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1133,1998,
 igr2=1302,1230,1231,
 &end
#
#  110 GLN  HN          105 VAL  HB          5.50    (#   2413:20        Unique  3.29, 3.45 A)
 &rst
  ixpk= 2413, nxpk= 20, iat=1724,1662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 VAL  HN          105 VAL  HB          4.50    (#   2415:20        Unique  3.72, 3.79 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LYS  HN           76 LYS  HB-         4.00    (#   2416:20        Unique  2.99, 3.61 A)
 &rst
  ixpk= 2416, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#   76 LYS  HA           76 LYS  HB-         3.00    (#   2417:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1230,1231,
 &end
#
#   76 LYS  HN           76 LYS  HB+         3.80    (#   2418:20        Unique  2.99, 3.61 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:2419     0 AMB  20-1:2419   6.00    (#   2419:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1207, 680, 688,
 igr2=1230,1231,1302,
 &end
#
#  106 ASP  HN          105 VAL  HB          4.00    (#   2420:20        Unique  1.94, 2.15 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=1674,1662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HN           76 LYS  HB-         3.70    (#   2421:20        Unique  2.35, 3.34 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1230,1231,
 &end
#
#   48 TRP  HN           47 LYS  HB+         4.80    (#   2422:20        Unique  3.92, 4.33 A)
 &rst
  ixpk= 2422, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 754, 755,
 &end
#
#   47 LYS  HN           47 LYS  HB+         3.00    (#   2423:20        Unique  2.14, 2.70 A)
 &rst
  ixpk= 2423, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HA           47 LYS  HB+         3.00    (#   2424:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HN           47 LYS  HB-         3.00    (#   2425:20        Unique  2.14, 2.70 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   61 LYS  HN           47 LYS  HB-         6.00    (#   2426:20        Unique  4.42, 5.39 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 754, 755,
 &end
#
#   47 LYS  HA           47 LYS  HB-         3.00    (#   2427:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 2427, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   48 TRP  HN           47 LYS  HB-         4.00    (#   2428:20        Unique  3.92, 4.33 A)
 &rst
  ixpk= 2428, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:2429     4 VAL  HB          5.00    (#   2429:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2429, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  58,1871,1850,
 &end
#
#    4 VAL  HN            4 VAL  HB          5.00    (#   2430:20        Unique  2.71, 2.87 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=  42,  46, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ALA  HA           92 VAL  HB          5.00    (#   2431:20        Unique  2.84, 3.32 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=1347,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 TYR  HN           92 VAL  HB          4.00    (#   2432:20        Unique  3.43, 3.71 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=1474,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2433    92 VAL  HB          5.50    (#   2433:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1329,1059,
 &end
#
#   92 VAL  HN           92 VAL  HB          4.00    (#   2434:20        Unique  3.20, 3.55 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HN          110 GLN  HG+         5.00    (#   2438:20        Unique  3.79, 4.48 A)
 &rst
  ixpk= 2438, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  110 GLN  HN          110 GLN  HG+         5.00    (#   2439:20        Unique  4.00, 4.39 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  105 VAL  HN          110 GLN  HG+         5.00    (#   2441:20        Unique  5.23, 5.99 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2-        110 GLN  HG+         3.80    (#   2442:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2+        110 GLN  HG+         3.00    (#   2443:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#   60 GLU  HN           50 LYS  HB+         5.50    (#   2444:20        Unique  5.08, 5.68 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   50 LYS  HN           50 LYS  HB+         3.00    (#   2445:20        Unique  2.40, 2.61 A)
 &rst
  ixpk= 2445, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#    0 AMB  20-2:2446     0 AMB  20-1:2446   4.60    (#   2446:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1963,1972,1955,
 igr2=1959,1960,1959,1960,
 &end
#
#  124 TYR  HD+         124 TYR  HB+         4.50    (#   2447:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1963,1972,
 igr2=1959,1960,
 &end
#
#   50 LYS  HN           50 LYS  HB-         3.00    (#   2448:20        Unique  2.40, 2.61 A)
 &rst
  ixpk= 2448, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   48 TRP  HE1          50 LYS  HB-         6.00    (#   2449:20        Unique  3.88, 5.49 A)
 &rst
  ixpk= 2449, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#    0 AMB  20-2:2450   124 TYR  HB-         4.50    (#   2450:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1963,1972,1955,
 igr2=1959,1960,
 &end
#
#   30 MET  HN           30 MET  HB+         3.50    (#   2452:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2452, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#   30 MET  HN           30 MET  HB-         3.80    (#   2453:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2453, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 474, 475,
 &end
#
#   45 MET  HN           45 MET  HB-         3.00    (#   2454:20        Unique  2.15, 2.87 A)
 &rst
  ixpk= 2454, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   30 MET  HN           30 MET  HG+         3.50    (#   2455:20        Unique  1.92, 2.81 A)
 &rst
  ixpk= 2455, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#    0 AMB  20-2:2456     0 AMB  20-1:2456   4.00    (#   2456:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 743,1043,
 igr2= 730, 731, 730, 731,
 &end
#
#   44 PHE  HA           45 MET  HB+         5.50    (#   2457:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 2457, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 730, 731,
 &end
#
#  125 LYS  HN          124 TYR  HB+         4.50    (#   2458:20        Unique  1.60, 3.11 A)
 &rst
  ixpk= 2458, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1959,1960,
 &end
#
#  124 TYR  HD+         124 TYR  HB-         4.60    (#   2459:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1963,1972,
 igr2=1959,1960,
 &end
#
#   45 MET  HA           45 MET  HB-         2.80    (#   2461:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 2461, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 730, 731,
 &end
#
#    0 AMB  20-2:2462    45 MET  HB-         4.40    (#   2462:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 743,1043,
 igr2= 730, 731,
 &end
#
#   45 MET  HA           45 MET  HB+         3.00    (#   2463:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 2463, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   45 MET  HN           45 MET  HB+         4.00    (#   2464:20        Unique  2.15, 2.87 A)
 &rst
  ixpk= 2464, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 730, 731,
 &end
#
#   51 LYS  HN           51 LYS  HB-         4.00    (#   2467:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 2467, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:2468     0 AMB  20-1:2468   3.00    (#   2468:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1434,1422,
 igr2=1404,1405,1404,1405,
 &end
#
#    0 AMB  20-2:2469    88 LYS  HB-         4.00    (#   2469:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1434,1422,
 igr2=1404,1405,
 &end
#
#   88 LYS  HN           88 LYS  HB-         3.80    (#   2470:20        Unique  2.76, 3.30 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1404,1405,
 &end
#
#   45 MET  HN           45 MET  HG+         3.00    (#   2471:20        Unique  3.12, 3.34 A)
 &rst
  ixpk= 2471, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#   46 GLY  HN           45 MET  HG+         5.00    (#   2472:20        Unique  3.18, 4.09 A)
 &rst
  ixpk= 2472, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 733, 734,
 &end
#
#   45 MET  HA           45 MET  HG+         4.00    (#   2473:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 2473, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   44 PHE  HA           45 MET  HG+         5.00    (#   2474:20        Unique  5.17, 5.43 A)
 &rst
  ixpk= 2474, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 733, 734,
 &end
#
#   45 MET  HN           45 MET  HG-         3.00    (#   2475:20        Unique  3.12, 3.34 A)
 &rst
  ixpk= 2475, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#   46 GLY  HN           45 MET  HG-         4.00    (#   2476:20        Unique  3.18, 4.09 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   45 MET  HA           45 MET  HG-         4.00    (#   2477:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 2477, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HA-          45 MET  HG-         5.00    (#   2478:20        Unique  3.03, 4.70 A)
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2= 733, 734,
 &end
#
#   71 ASP  HN           70 PRO  HB+         3.50    (#   2480:20        Unique  2.18, 3.15 A)
 &rst
  ixpk= 2480, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1150,1151,
 &end
#
#   24 ASP  HN           23 GLU  HB+         4.60    (#   2481:20        Unique  3.31, 3.83 A)
 &rst
  ixpk= 2481, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HB-         5.00    (#   2482:20        Unique  3.31, 3.83 A)
 &rst
  ixpk= 2482, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 361, 362,
 &end
#
#   50 LYS  HN           49 LYS  HB-         4.50    (#   2487:20        Unique  3.97, 4.17 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 800, 801,
 &end
#
#   49 LYS  HN           49 LYS  HB-         3.80    (#   2488:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 800, 801,
 &end
#
#   23 GLU  HN           23 GLU  HB+         4.40    (#   2489:20        Unique  2.59, 3.25 A)
 &rst
  ixpk= 2489, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 361, 362,
 &end
#
#   49 LYS  HN           49 LYS  HB+         3.00    (#   2490:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 2490, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HB+         4.50    (#   2491:20        Unique  3.97, 4.17 A)
 &rst
  ixpk= 2491, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 800, 801,
 &end
#
#   60 GLU  HA           49 LYS  HB-         6.00    (#   2493:20        Unique  4.56, 5.23 A)
 &rst
  ixpk= 2493, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 &end
#
#   18 ILE  HN           17 GLU  HB+         4.00    (#   2497:20        Unique  2.65, 3.36 A)
 &rst
  ixpk= 2497, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 270, 271,
 &end
#
#    0 AMB  20-2:2498     0 AMB  20-1:2498   4.50    (#   2498:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 796,1090,
 igr2=1606,1607,1063,1064,
 &end
#
#    0 AMB  20-2:2499     0 AMB  20-1:2499   4.00    (#   2499:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1074, 772,
 igr2=1063,1064,1606,1607,
 &end
#
#    0 AMB  20-2:2500     0 AMB  20-1:2500   3.00    (#   2500:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1059,1602,
 igr2=1063,1064,1606,1607,
 &end
#
#   45 MET  HA           64 GLU  HB+         5.00    (#   2501:20        Unique  3.19, 4.35 A)
 &rst
  ixpk= 2501, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1063,1064,
 &end
#
#   50 LYS  HN           59 GLU  HB+         4.00    (#   2503:20        Unique  3.39, 4.20 A)
 &rst
  ixpk= 2503, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 981, 982,
 &end
#
#   17 GLU  HN           17 GLU  HB-         4.00    (#   2504:20        Unique  2.76, 3.34 A)
 &rst
  ixpk= 2504, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 270, 271,
 &end
#
#   65 VAL  HN           64 GLU  HB-         4.00    (#   2505:20        Unique  4.19, 4.31 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1063,1064,
 &end
#
#   64 GLU  HN           64 GLU  HB-         3.00    (#   2506:20        Unique  2.51, 2.89 A)
 &rst
  ixpk= 2506, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1063,1064,
 &end
#
#   45 MET  HA           64 GLU  HB-         5.00    (#   2507:20        Unique  3.19, 4.35 A)
 &rst
  ixpk= 2507, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1063,1064,
 &end
#
#  101 GLU  HN          101 GLU  HB+         3.30    (#   2508:20        Unique  2.55, 2.84 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1606,1607,
 &end
#
#    0 AMB  20-2:2509     0 AMB  20-1:2509   5.40    (#   2509:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 745, 746, 752,
 igr2=1606,1607,1606,1607,
 &end
#
#   17 GLU  HN           17 GLU  HB+         3.00    (#   2510:20        Unique  2.76, 3.34 A)
 &rst
  ixpk= 2510, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 270, 271,
 &end
#
#  100 ILE  HA          101 GLU  HB-         4.50    (#   2513:20        Unique  4.19, 4.49 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1606,1607,
 &end
#
#   47 LYS  HA           60 GLU  HB+         5.60    (#   2514:20        Unique  4.02, 5.02 A)
 &rst
  ixpk= 2514, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 996, 997,
 &end
#
#   60 GLU  HA           60 GLU  HB+         3.00    (#   2515:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2515, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 996, 997,
 &end
#
#   61 LYS  HN           60 GLU  HB+         4.00    (#   2516:20        Unique  2.79, 3.84 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 996, 997,
 &end
#
#   50 LYS  HN           59 GLU  HB+         4.00    (#   2517:20        Unique  3.39, 4.20 A)
 &rst
  ixpk= 2517, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 981, 982,
 &end
#
#   60 GLU  HN           60 GLU  HB+         3.00    (#   2518:20        Unique  2.20, 2.97 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 996, 997,
 &end
#
#   18 ILE  HN           17 GLU  HB-         4.00    (#   2519:20        Unique  2.65, 3.36 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 270, 271,
 &end
#
#    0 AMB  20-2:2520    59 GLU  HB-         3.50    (#   2520:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 977, 862,
 igr2= 981, 982,
 &end
#
#    0 AMB  20-2:2523     0 AMB  20-1:2523   5.00    (#   2523:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 752, 745, 746,
 igr2= 776, 777, 776, 777,
 &end
#
#   48 TRP  HN           48 TRP  HB+         3.00    (#   2524:20        Unique  2.33, 2.55 A)
 &rst
  ixpk= 2524, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB+         3.50    (#   2526:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 2526, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#    0 AMB  20-2:2527    48 TRP  HB-         5.00    (#   2527:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 752, 745, 746,
 igr2= 776, 777,
 &end
#
#   48 TRP  HN           48 TRP  HB-         3.00    (#   2528:20        Unique  2.33, 2.55 A)
 &rst
  ixpk= 2528, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB-         3.50    (#   2529:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB+         3.50    (#   2530:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 2530, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   61 LYS  HN           48 TRP  HB+         4.00    (#   2531:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   61 LYS  HN           48 TRP  HB+         4.00    (#   2532:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#    6 ARG  HN            6 ARG  HB-         3.00    (#   2534:20        Unique  2.38, 3.35 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  77,  78,
 &end
#
#   82 VAL  HN           81 GLU  HB+         4.30    (#   2536:20        Unique  3.60, 4.13 A)
 &rst
  ixpk= 2536, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1318,1319,
 &end
#
#   21 ASP  HN           20 VAL  HB          4.00    (#   2540:20        Unique  1.80, 1.87 A)
 &rst
  ixpk= 2540, nxpk= 20, iat= 335, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HN           20 VAL  HB          5.00    (#   2541:20        Unique  3.56, 3.64 A)
 &rst
  ixpk= 2541, nxpk= 20, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 GLU  HN           81 GLU  HB+         3.00    (#   2542:20        Unique  2.18, 2.88 A)
 &rst
  ixpk= 2542, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   81 GLU  HA           81 GLU  HB+         3.00    (#   2543:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   81 GLU  HN           81 GLU  HB-         3.50    (#   2544:20        Unique  2.18, 2.88 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1318,1319,
 &end
#
#   81 GLU  HA           81 GLU  HB-         3.50    (#   2545:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:2547     0 AMB  20-1:2547   3.00    (#   2547:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 237, 421,
 igr2= 241, 242, 425, 426,
 &end
#
#   16 THR  HN           15 GLU  HB+         4.00    (#   2548:20        Unique  2.53, 3.36 A)
 &rst
  ixpk= 2548, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 241, 242,
 &end
#
#    6 ARG  HN            5 GLU  HB+         5.00    (#   2549:20        Unique  1.85, 2.71 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  62,  63,
 &end
#
#    5 GLU  HN            5 GLU  HB+         4.80    (#   2550:20        Unique  2.37, 3.06 A)
 &rst
  ixpk= 2550, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  62,  63,
 &end
#
#    0 AMB  20-2:2551     0 AMB  20-1:2551   3.00    (#   2551:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 237, 421,
 igr2= 241, 242, 425, 426,
 &end
#
#   16 THR  HN           15 GLU  HB-         3.00    (#   2552:20        Unique  2.53, 3.36 A)
 &rst
  ixpk= 2552, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#  113 ILE  HN          113 ILE  HG1+        3.30    (#   2553:20        Unique  1.96, 3.10 A)
 &rst
  ixpk= 2553, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1776,1777,
 &end
#
#    5 GLU  HN            5 GLU  HB-         4.00    (#   2554:20        Unique  2.37, 3.06 A)
 &rst
  ixpk= 2554, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  62,  63,
 &end
#
#   13 ARG  HN           13 ARG  HB-         3.80    (#   2555:20        Unique  2.70, 3.19 A)
 &rst
  ixpk= 2555, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 198, 199,
 &end
#
#   14 ILE  HN           13 ARG  HB-         3.50    (#   2556:20        Unique  1.83, 2.50 A)
 &rst
  ixpk= 2556, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 198, 199,
 &end
#
#  113 ILE  HN          113 ILE  HG1-        3.50    (#   2557:20        Unique  1.96, 3.10 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  117 LEU  HN          116 TRP  HB-         4.00    (#   2558:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1811,1812,
 &end
#
#  111 GLU  HN          111 GLU  HB+         3.00    (#   2560:20        Unique  2.44, 3.04 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#  112 ALA  HN          111 GLU  HB+         3.00    (#   2561:20        Unique  2.40, 2.91 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#   73 GLU  HN           73 GLU  HB-         4.60    (#   2562:20        Unique  2.51, 3.13 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1185,1186,
 &end
#
#   13 ARG  HN           13 ARG  HB+         3.50    (#   2563:20        Unique  2.70, 3.19 A)
 &rst
  ixpk= 2563, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 198, 199,
 &end
#
#   14 ILE  HN           13 ARG  HB+         3.50    (#   2564:20        Unique  1.83, 2.50 A)
 &rst
  ixpk= 2564, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 198, 199,
 &end
#
#  116 TRP  HN          116 TRP  HB+         3.00    (#   2565:20        Unique  2.12, 2.57 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1811,1812,
 &end
#
#  116 TRP  HN          116 TRP  HB-         3.00    (#   2566:20        Unique  2.12, 2.57 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1811,1812,
 &end
#
#   25 LYS  HN           25 LYS  HD+         4.20    (#   2567:20        Unique  1.93, 3.17 A)
 &rst
  ixpk= 2567, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 394, 395,
 &end
#
#   12 HIS  HN           12 HIS  HB+         3.50    (#   2569:20        Unique  2.22, 2.86 A)
 &rst
  ixpk= 2569, nxpk= 20, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 181, 182,
 &end
#
#   13 ARG  HN           12 HIS  HB+         4.00    (#   2570:20        Unique  2.05, 2.68 A)
 &rst
  ixpk= 2570, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 181, 182,
 &end
#
#   13 ARG  HN           12 HIS  HB-         3.00    (#   2571:20        Unique  2.05, 2.68 A)
 &rst
  ixpk= 2571, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 181, 182,
 &end
#
#   12 HIS  HN           12 HIS  HB-         3.60    (#   2572:20        Unique  2.22, 2.86 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 181, 182,
 &end
#
#    0 AMB  20-2:2573     0 AMB  20-1:2573   5.00    (#   2573:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1571,1583,
 igr2=1529,1530,1529,1530,
 &end
#
#    0 AMB  20-2:2574     0 AMB  20-1:2574   4.00    (#   2574:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1519,1298,
 igr2=1529,1530,1529,1530,
 &end
#
#    0 AMB  20-2:2575     0 AMB  20-1:2575   5.00    (#   2575:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 787, 780,1285,1294,
 igr2=1529,1530,1529,1530,1529,1530,
 &end
#
#    0 AMB  20-2:2576    65 VAL  HB          4.50    (#   2576:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 714, 722, 680, 688,
 &end
#
#   65 VAL  HN           65 VAL  HB          3.00    (#   2577:20        Unique  2.32, 2.50 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           74 CYS  HB+         4.60    (#   2579:20        Unique  2.45, 3.14 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1200,1201,
 &end
#
#   74 CYS  HA           74 CYS  HB+         3.60    (#   2580:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1200,1201,
 &end
#
#   74 CYS  HA           74 CYS  HB-         3.60    (#   2581:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1200,1201,
 &end
#
#   74 CYS  HN           74 CYS  HB-         4.10    (#   2582:20        Unique  2.45, 3.14 A)
 &rst
  ixpk= 2582, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1200,1201,
 &end
#
#   98 SER  HN           96 LYS  HD+         6.00    (#   2583:20        Unique  5.02, 6.17 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1529,1530,
 &end
#
#   47 LYS  HN           47 LYS  HD+         5.00    (#   2584:20        Unique  3.09, 4.03 A)
 &rst
  ixpk= 2584, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 760, 761,
 &end
#
#   47 LYS  HA           47 LYS  HD+         2.80    (#   2585:20        Unique  1.85, 2.38 A)
 &rst
  ixpk= 2585, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 760, 761,
 &end
#
#    0 AMB  20-2:2586     0 AMB  20-1:2586   3.00    (#   2586:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 796,1007,
 igr2= 806, 807, 806, 807,
 &end
#
#   48 TRP  HN           47 LYS  HD-         5.00    (#   2587:20        Unique  3.91, 4.28 A)
 &rst
  ixpk= 2587, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 760, 761,
 &end
#
#   47 LYS  HN           47 LYS  HD-         4.50    (#   2588:20        Unique  3.09, 4.03 A)
 &rst
  ixpk= 2588, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 760, 761,
 &end
#
#   44 PHE  HN           65 VAL  HB          3.60    (#   2590:20        Unique  1.70, 2.08 A)
 &rst
  ixpk= 2590, nxpk= 20, iat= 706,1078, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   67 GLY  HN           65 VAL  HB          4.80    (#   2591:20        Unique  2.95, 4.06 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=1109,1078, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    8 GLU  HN            8 GLU  HB+         4.20    (#   2592:20        Unique  2.60, 3.76 A)
 &rst
  ixpk= 2592, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 113, 114,
 &end
#
#    8 GLU  HN            8 GLU  HB-         4.20    (#   2593:20        Unique  2.60, 3.76 A)
 &rst
  ixpk= 2593, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 113, 114,
 &end
#
#   76 LYS  HN           76 LYS  HD+         4.50    (#   2594:20        Unique  2.03, 4.18 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1236,1237,
 &end
#
#   76 LYS  HA           76 LYS  HD+         5.00    (#   2595:20        Unique  3.89, 4.51 A)
 &rst
  ixpk= 2595, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1236,1237,
 &end
#
#   48 TRP  HN           47 LYS  HD+         5.00    (#   2596:20        Unique  3.91, 4.28 A)
 &rst
  ixpk= 2596, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 760, 761,
 &end
#
#   60 GLU  HA           49 LYS  HD+         4.50    (#   2597:20        Unique  2.83, 4.11 A)
 &rst
  ixpk= 2597, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 806, 807,
 &end
#
#   60 GLU  HA           49 LYS  HD+         4.50    (#   2598:20        Unique  2.83, 4.11 A)
 &rst
  ixpk= 2598, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 806, 807,
 &end
#
#   51 LYS  HN           51 LYS  HD+         4.60    (#   2599:20        Unique  3.10, 3.91 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 850, 851,
 &end
#
#  126 PHE  HN          125 LYS  HD+         5.10    (#   2600:20        Unique  3.50, 5.07 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1986,1987,
 &end
#
#   47 LYS  HA           47 LYS  HD-         3.00    (#   2601:20        Unique  1.85, 2.38 A)
 &rst
  ixpk= 2601, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 760, 761,
 &end
#
#    0 AMB  20-2:2602     0 AMB  20-1:2602   5.00    (#   2602:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1029,1355,1386,1059,
 igr2=1017,1018,1017,1018,1017,1018,1017,1018,
 &end
#
#    0 AMB  20-2:2603     0 AMB  20-1:2603   6.00    (#   2603:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1482,1491, 789,
 igr2=1017,1018,1017,1018,
 &end
#
#   32 TRP  HN           32 TRP  HB-         3.50    (#   2605:20        Unique  2.19, 2.91 A)
 &rst
  ixpk= 2605, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   26 GLU  HN           26 GLU  HB+         3.00    (#   2609:20        Unique  2.32, 3.02 A)
 &rst
  ixpk= 2609, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#   27 GLU  HN           26 GLU  HB+         3.00    (#   2610:20        Unique  2.10, 2.73 A)
 &rst
  ixpk= 2610, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#  110 GLN  HN          110 GLN  HB+         3.00    (#   2611:20        Unique  2.15, 2.56 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#    0 AMB  20-2:2612     0 AMB  20-1:2612   3.00    (#   2612:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1741, 421,
 igr2=1728,1729, 410, 411,
 &end
#
#   26 GLU  HN           26 GLU  HB-         3.80    (#   2613:20        Unique  2.32, 3.02 A)
 &rst
  ixpk= 2613, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 410, 411,
 &end
#
#  111 GLU  HN          110 GLN  HB-         3.00    (#   2614:20        Unique  2.07, 2.75 A)
 &rst
  ixpk= 2614, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  110 GLN  HN          110 GLN  HB-         3.00    (#   2615:20        Unique  2.15, 2.56 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  109 THR  HN          110 GLN  HB-         6.00    (#   2616:20        Unique  4.86, 5.17 A)
 &rst
  ixpk= 2616, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1728,1729,
 &end
#
#  125 LYS  HN          125 LYS  HD+         4.50    (#   2617:20        Unique  3.28, 4.36 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1986,1987,
 &end
#
#    0 AMB  20-2:2619     0 AMB  20-1:2619   4.50    (#   2619:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 791,1482,1491,
 igr2=1017,1018,1017,1018,
 &end
#
#    7 ASP  HN            6 ARG  HG+         4.50    (#   2622:20        Unique  1.97, 3.10 A)
 &rst
  ixpk= 2622, nxpk= 20, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  80,  81,
 &end
#
#    6 ARG  HN            6 ARG  HG+         4.00    (#   2623:20        Unique  1.83, 3.25 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  80,  81,
 &end
#
#   32 TRP  HN           32 TRP  HB+         3.50    (#   2624:20        Unique  2.19, 2.91 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   11 GLU  HN           11 GLU  HB-         3.50    (#   2625:20        Unique  2.27, 2.97 A)
 &rst
  ixpk= 2625, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   12 HIS  HN           11 GLU  HB-         3.00    (#   2626:20        Unique  1.96, 2.58 A)
 &rst
  ixpk= 2626, nxpk= 20, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 166, 167,
 &end
#
#   41 GLU  HN           41 GLU  HB+         4.00    (#   2627:20        Unique  2.21, 3.12 A)
 &rst
  ixpk= 2627, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 661, 662,
 &end
#
#   41 GLU  HN           41 GLU  HB-         4.00    (#   2629:20        Unique  2.21, 3.12 A)
 &rst
  ixpk= 2629, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 661, 662,
 &end
#
#  119 TRP  HN          119 TRP  HB+         3.00    (#   2630:20        Unique  2.08, 2.62 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1875,1876,
 &end
#
#   42 PHE  HN           41 GLU  HB-         4.80    (#   2631:20        Unique  4.05, 4.42 A)
 &rst
  ixpk= 2631, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 661, 662,
 &end
#
#  119 TRP  HN          119 TRP  HB-         3.00    (#   2634:20        Unique  2.08, 2.62 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1875,1876,
 &end
#
#   58 ILE  HN           58 ILE  HG1-        3.00    (#   2636:20        Unique  2.68, 3.44 A)
 &rst
  ixpk= 2636, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 968, 969,
 &end
#
#   84 ASP  HA           85 ILE  HG1+        4.00    (#   2637:20        Unique  3.78, 4.32 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1377,1378,
 &end
#
#   58 ILE  HN           58 ILE  HG1+        4.00    (#   2638:20        Unique  2.68, 3.44 A)
 &rst
  ixpk= 2638, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   36 LEU  HN           36 LEU  HG          5.00    (#   2641:20        Unique  4.34, 4.41 A)
 &rst
  ixpk= 2641, nxpk= 20, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HN           40 LEU  MDX         4.00    (#   2642:20        Unique  2.04, 3.86 A)
 &rst
  ixpk= 2642, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   76 LYS  HN           75 LEU  HG          6.00    (#   2643:20        Unique  4.46, 4.67 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=1226,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 LEU  HN           75 LEU  HG          4.40    (#   2644:20        Unique  2.90, 3.06 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   74 CYS  HN           75 LEU  HG          7.00    (#   2645:20        Unique  3.68, 3.85 A)
 &rst
  ixpk= 2645, nxpk= 20, iat=1196,1214, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 ILE  HN           85 ILE  HG1-        2.80    (#   2646:20        Unique  1.84, 2.37 A)
 &rst
  ixpk= 2646, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1377,1378,
 &end
#
#    0 AMB  20-2:2647    85 ILE  HG1-        4.00    (#   2647:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1059,1386,
 igr2=1377,1378,
 &end
#
#   63 VAL  HA           85 ILE  HG1-        3.50    (#   2648:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#   85 ILE  HN           85 ILE  HG1+        3.00    (#   2649:20        Unique  1.84, 2.37 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   63 VAL  HA           85 ILE  HG1+        3.50    (#   2650:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#    0 AMB  20-2:2651     0 AMB  20-1:2651   4.00    (#   2651:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1059,1386,1029,
 igr2=1377,1378,1377,1378,1377,1378,
 &end
#
#  117 LEU  HN          117 LEU  HG          3.00    (#   2652:20        Unique  2.16, 2.55 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 TYR  HN          117 LEU  HG          5.00    (#   2653:20        Unique  4.44, 4.67 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=1850,1838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 LYS  HN          103 ILE  HG1+        5.00    (#   2654:20        Unique  2.38, 4.37 A)
 &rst
  ixpk= 2654, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1637,1638,
 &end
#
#  116 TRP  HE1          97 LEU  HG          5.50    (#   2655:20        Unique  4.50, 4.87 A)
 &rst
  ixpk= 2655, nxpk= 20, iat=1817,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 LEU  HN           97 LEU  HG          4.50    (#   2656:20        Unique  3.75, 3.93 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=1541,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HD+          97 LEU  HG          4.00    (#   2657:20        Unique  3.31, 3.96 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=1815,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HD-          97 LEU  HG          4.50    (#   2658:20        Unique  3.31, 3.96 A)
 &rst
  ixpk= 2658, nxpk= 20, iat=1815,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 LYS  HN          103 ILE  HG1-        4.00    (#   2659:20        Unique  2.38, 4.37 A)
 &rst
  ixpk= 2659, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1637,1638,
 &end
#
#   46 GLY  HA-         103 ILE  HG1-        6.00    (#   2660:20        Unique  2.89, 5.31 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 745, 746,
 igr2=1637,1638,
 &end
#
#    0 AMB  20-2:2661   103 ILE  HG1-        4.50    (#   2661:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1627,1646,
 igr2=1637,1638,
 &end
#
#   19 ILE  HN           19 ILE  HG1-        3.00    (#   2662:20        Unique  1.82, 2.66 A)
 &rst
  ixpk= 2662, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#   19 ILE  HN           19 ILE  HG1+        3.00    (#   2663:20        Unique  1.82, 2.66 A)
 &rst
  ixpk= 2663, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:2664     0 AMB  20-1:2664   4.00    (#   2664:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1627,1646,
 igr2=1637,1638,1637,1638,
 &end
#
#   46 GLY  HA-         103 ILE  HG1+        6.00    (#   2665:20        Unique  2.89, 5.31 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 745, 746,
 igr2=1637,1638,
 &end
#
#    0 AMB  20-2:2672   100 ILE  HG1-        5.20    (#   2672:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 796,1007,
 igr2=1593,1594,
 &end
#
#  100 ILE  HN          100 ILE  HG1-        5.00    (#   2673:20        Unique  4.46, 4.71 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1593,1594,
 &end
#
#  100 ILE  HA          100 ILE  HG1-        3.00    (#   2674:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#  100 ILE  HN          100 ILE  HG1+        5.00    (#   2675:20        Unique  4.46, 4.71 A)
 &rst
  ixpk= 2675, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1593,1594,
 &end
#
#   46 GLY  HA-         100 ILE  HG1+        4.00    (#   2676:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 745, 746,
 igr2=1593,1594,
 &end
#
#   44 PHE  HE-          40 LEU  HG          4.80    (#   2682:20        Unique  2.83, 4.27 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 716, 720,
 &end
#
#   40 LEU  HN           40 LEU  HG          4.00    (#   2683:20        Unique  3.83, 4.08 A)
 &rst
  ixpk= 2683, nxpk= 20, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HE1         120 LEU  MDY         4.00    (#   2686:20        Unique  2.34, 4.80 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          120 LEU  MDY         4.60    (#   2687:20        Unique  2.39, 4.72 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HN            0 AMB  20-1:2688   5.00    (#   2688:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2688, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1904,1905,1906,1908,1909,1910,1928,1929,
 &end
#
#  119 TRP  HD-         120 LEU  MDY         6.00    (#   2689:20        Unique  3.91, 5.44 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   40 LEU  HN           40 LEU  MDY         4.00    (#   2693:20        Unique  2.04, 3.86 A)
 &rst
  ixpk= 2693, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:2696     0 AMB  20-1:2696   4.00    (#   2696:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1345,1059,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   66 LEU  HN            0 AMB  20-1:2697   4.00    (#   2697:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2697, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   82 VAL  HA           66 LEU  MDY         5.00    (#   2698:20        Unique  2.10, 4.26 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#  117 LEU  HN          120 LEU  MDY         6.00    (#   2699:20        Unique  4.59, 7.16 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:2700     0 AMB  20-1:2700   5.40    (#   2700:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 568, 577,1109,
 igr2= 291, 292,1097,
 &end
#
#   83 ALA  HA           66 LEU  MDY         6.00    (#   2701:20        Unique  3.98, 6.27 A)
 &rst
  ixpk= 2701, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   35 TYR  HD+          36 LEU  MDX         6.00    (#   2702:20        Unique  3.74, 8.52 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 568, 577,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   35 TYR  HE+          36 LEU  MDX         5.00    (#   2704:20        Unique  2.79, 9.79 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 570, 575,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:2705    36 LEU  MDX         4.00    (#   2705:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 570, 575,1277,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:2706    36 LEU  MDX         5.00    (#   2706:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 568, 577, 680, 688,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   50 LYS  HN           49 LYS  HG-         6.00    (#   2708:20        Unique  4.97, 5.58 A)
 &rst
  ixpk= 2708, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 803, 804,
 &end
#
#  117 LEU  HN          117 LEU  MDX         4.00    (#   2709:20        Unique  1.94, 4.26 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:2710   117 LEU  MDX         4.50    (#   2710:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1850,1914,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   76 LYS  HN           75 LEU  MDY         5.00    (#   2711:20        Unique  5.07, 6.06 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   76 LYS  HN           76 LYS  HG+         3.00    (#   2714:20        Unique  2.50, 3.53 A)
 &rst
  ixpk= 2714, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1233,1234,
 &end
#
#   77 ASP  HN           76 LYS  HG+         4.00    (#   2715:20        Unique  1.88, 3.95 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1233,1234,
 &end
#
#   75 LEU  HN           76 LYS  HG+         5.00    (#   2716:20        Unique  2.79, 4.36 A)
 &rst
  ixpk= 2716, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1233,1234,
 &end
#
#   76 LYS  HA           76 LYS  HG+         4.00    (#   2717:20        Unique  2.59, 3.32 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1233,1234,
 &end
#
#   49 LYS  HN           49 LYS  HG+         3.00    (#   2718:20        Unique  1.60, 2.62 A)
 &rst
  ixpk= 2718, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 803, 804,
 &end
#
#   50 LYS  HN           49 LYS  HG+         6.00    (#   2719:20        Unique  4.97, 5.58 A)
 &rst
  ixpk= 2719, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 803, 804,
 &end
#
#   49 LYS  HN           49 LYS  HG-         3.60    (#   2720:20        Unique  1.60, 2.62 A)
 &rst
  ixpk= 2720, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 803, 804,
 &end
#
#   60 GLU  HA           49 LYS  HG-         6.00    (#   2721:20        Unique  4.97, 5.62 A)
 &rst
  ixpk= 2721, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 803, 804,
 &end
#
#   72 ASP  HN           75 LEU  MDY         6.00    (#   2722:20        Unique  5.02, 6.51 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   29 ALA  HN           75 LEU  MDY         7.00    (#   2723:20        Unique  4.84, 7.26 A)
 &rst
  ixpk= 2723, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           75 LEU  MDY         5.00    (#   2724:20        Unique  3.49, 4.88 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   47 LYS  HN           47 LYS  HG+         5.00    (#   2726:20        Unique  4.34, 4.53 A)
 &rst
  ixpk= 2726, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 757, 758,
 &end
#
#   60 GLU  HA           49 LYS  HG+         5.00    (#   2727:20        Unique  4.97, 5.62 A)
 &rst
  ixpk= 2727, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 803, 804,
 &end
#
#   51 LYS  HN           51 LYS  HG+         4.80    (#   2728:20        Unique  3.83, 4.38 A)
 &rst
  ixpk= 2728, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 847, 848,
 &end
#
#   88 LYS  HN           88 LYS  HG+         3.60    (#   2729:20        Unique  1.94, 2.90 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1407,1408,
 &end
#
#   48 TRP  HN           47 LYS  HG+         5.00    (#   2730:20        Unique  3.70, 4.64 A)
 &rst
  ixpk= 2730, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:2731     0 AMB  20-1:2731   6.00    (#   2731:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1422,1434,
 igr2=1407,1408,1407,1408,
 &end
#
#   47 LYS  HA           47 LYS  HG+         4.00    (#   2732:20        Unique  2.56, 3.12 A)
 &rst
  ixpk= 2732, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 757, 758,
 &end
#
#   47 LYS  HN           47 LYS  HG-         4.80    (#   2733:20        Unique  4.34, 4.53 A)
 &rst
  ixpk= 2733, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 757, 758,
 &end
#
#   47 LYS  HA           47 LYS  HG-         3.00    (#   2734:20        Unique  2.56, 3.12 A)
 &rst
  ixpk= 2734, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 757, 758,
 &end
#
#   62 THR  HA           47 LYS  HG-         4.00    (#   2735:20        Unique  3.82, 4.75 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 757, 758,
 &end
#
#   48 TRP  HN           47 LYS  HG-         4.00    (#   2736:20        Unique  3.70, 4.64 A)
 &rst
  ixpk= 2736, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 757, 758,
 &end
#
#   62 THR  HN            0 AMB  20-1:2737   4.00    (#   2737:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2737, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1014,1015, 757, 758,
 &end
#
#   61 LYS  HN           61 LYS  HG-         4.60    (#   2738:20        Unique  4.15, 4.42 A)
 &rst
  ixpk= 2738, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1014,1015,
 &end
#
#   62 THR  HN            0 AMB  20-1:2739   4.00    (#   2739:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2739, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1014,1015,1014,1015,
 &end
#
#   25 LYS  HN           25 LYS  HG+         3.50    (#   2741:20        Unique  1.82, 3.07 A)
 &rst
  ixpk= 2741, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 391, 392,
 &end
#
#    0 AMB  20-2:2742    25 LYS  HG-         3.00    (#   2742:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 384, 406,
 igr2= 391, 392,
 &end
#
#   81 GLU  HN           80 VAL  MGY         3.50    (#   2743:20        Unique  2.89, 4.55 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   69 ALA  HN           80 VAL  MGY         4.30    (#   2744:20        Unique  3.66, 5.81 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   67 GLY  HN           80 VAL  MGY         4.00    (#   2745:20        Unique  3.36, 4.96 A)
 &rst
  ixpk= 2745, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HA           80 VAL  MGY         3.00    (#   2746:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2746, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  125 LYS  HN          125 LYS  HG+         3.00    (#   2747:20        Unique  2.41, 3.50 A)
 &rst
  ixpk= 2747, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1983,1984,
 &end
#
#  126 PHE  HN          125 LYS  HG+         5.00    (#   2748:20        Unique  2.13, 4.90 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1983,1984,
 &end
#
#   80 VAL  HN           80 VAL  MGY         4.00    (#   2749:20        Unique  2.42, 3.61 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   44 PHE  HD-          80 VAL  MGY         6.00    (#   2750:20        Unique  4.31, 7.12 A)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 714, 722,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   50 LYS  HN           50 LYS  HG+         4.80    (#   2751:20        Unique  4.39, 4.53 A)
 &rst
  ixpk= 2751, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 825, 826,
 &end
#
#   83 ALA  HA           82 VAL  MGY         5.00    (#   2753:20        Unique  3.27, 5.19 A)
 &rst
  ixpk= 2753, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   76 LYS  HN           75 LEU  MDX         6.00    (#   2755:20        Unique  5.07, 6.06 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:2756    75 LEU  MDX         5.00    (#   2756:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 406, 436,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   27 GLU  HN           75 LEU  MDX         5.00    (#   2757:20        Unique  5.62, 7.63 A)
 &rst
  ixpk= 2757, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   74 CYS  HN           75 LEU  MDX         4.90    (#   2758:20        Unique  4.09, 5.79 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           75 LEU  MDX         4.20    (#   2759:20        Unique  3.49, 4.88 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   45 MET  HN          105 VAL  MGY         4.40    (#   2760:20        Unique  4.19, 6.36 A)
 &rst
  ixpk= 2760, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  106 ASP  HN          105 VAL  MGY         3.00    (#   2761:20        Unique  2.61, 4.12 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2762   105 VAL  MGY         6.00    (#   2762:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1710, 706,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  105 VAL  HN          105 VAL  MGY         3.60    (#   2763:20        Unique  2.34, 3.31 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   44 PHE  HD+         105 VAL  MGY         4.00    (#   2764:20        Unique  2.01, 5.77 A)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 714, 722,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   44 PHE  HD-         105 VAL  MGY         4.00    (#   2765:20        Unique  2.01, 5.77 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 714, 722,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2766   105 VAL  MGY         4.40    (#   2766:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 708, 745, 746,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2767    82 VAL  MGY         5.00    (#   2767:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1043,1519,1298,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HN           82 VAL  MGY         4.40    (#   2768:20        Unique  2.29, 4.73 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2769    82 VAL  MGY         3.00    (#   2769:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1329,1059,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2770    82 VAL  MGY         6.00    (#   2770:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1482,1491, 791,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HA           82 VAL  MGY         3.00    (#   2771:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HA           82 VAL  MGY         5.00    (#   2772:20        Unique  3.79, 5.32 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   65 VAL  HN           82 VAL  MGY         5.50    (#   2773:20        Unique  2.63, 5.15 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   66 LEU  HN           82 VAL  MGY         4.80    (#   2774:20        Unique  2.77, 5.50 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   67 GLY  HN           82 VAL  MGY         6.00    (#   2775:20        Unique  4.19, 7.09 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2776    82 VAL  MGY         5.30    (#   2776:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1316,1476,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2777    83 ALA  MB          6.00    (#   2777:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1367,1434,
 igr2=1349,1350,1351,
 &end
#
#   93 TYR  HN           83 ALA  MB          5.00    (#   2778:20        Unique  4.53, 5.47 A)
 &rst
  ixpk= 2778, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:2779    83 ALA  MB          3.00    (#   2779:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1345,1355,
 igr2=1349,1350,1351,
 &end
#
#   82 VAL  HA           83 ALA  MB          4.00    (#   2781:20        Unique  4.20, 4.84 A)
 &rst
  ixpk= 2781, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1349,1350,1351,
 &end
#
#   63 VAL  HA           83 ALA  MB          5.50    (#   2782:20        Unique  5.14, 5.83 A)
 &rst
  ixpk= 2782, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1349,1350,1351,
 &end
#
#   83 ALA  HA           83 ALA  MB          3.00    (#   2783:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 2783, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1349,1350,1351,
 &end
#
#   78 MET  HN           78 MET  ME          4.50    (#   2784:20        Unique  2.47, 4.10 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1271,1272,1273,
 &end
#
#   79 TYR  HN           78 MET  ME          5.00    (#   2785:20        Unique  3.39, 4.78 A)
 &rst
  ixpk= 2785, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:2786    78 MET  ME          5.00    (#   2786:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 494,1287,1292,
 igr2=1271,1272,1273,
 &end
#
#   74 CYS  HA           78 MET  ME          5.60    (#   2790:20        Unique  3.11, 4.62 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HA           78 MET  ME          3.50    (#   2791:20        Unique  1.89, 2.93 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:2792    94 THR  MG2         4.00    (#   2792:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1314,1495,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HE           94 THR  MG2         4.00    (#   2793:20        Unique  2.10, 5.91 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1287,1292,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HD           94 THR  MG2         5.00    (#   2794:20        Unique  1.95, 4.65 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1285,1294,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HA           94 THR  MG2         5.00    (#   2795:20        Unique  4.23, 5.61 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   94 THR  HA           94 THR  MG2         3.00    (#   2796:20        Unique  2.02, 2.85 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   80 VAL  HN           94 THR  MG2         3.00    (#   2797:20        Unique  3.05, 4.10 A)
 &rst
  ixpk= 2797, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   82 VAL  HN           94 THR  MG2         5.00    (#   2798:20        Unique  4.21, 5.40 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   69 ALA  HN           94 THR  MG2         5.00    (#   2799:20        Unique  3.54, 4.24 A)
 &rst
  ixpk= 2799, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HN           94 THR  MG2         6.00    (#   2800:20        Unique  5.35, 6.26 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:2801     0 AMB  20-1:2801   3.10    (#   2801:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 638,1807,
 igr2= 630, 631, 632,1840,1841,1842,1844,1845,1846, 590,
       591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:2802     0 AMB  20-1:2802   5.00    (#   2802:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1= 570, 575, 570, 575, 624,
 igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#    0 AMB  20-2:2803     0 AMB  20-1:2803   6.00    (#   2803:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1824, 568, 577,
 igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#   63 VAL  HN           63 VAL  MGY         3.00    (#   2808:20        Unique  2.19, 3.56 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGY         3.00    (#   2809:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2810    63 VAL  MGY         5.00    (#   2810:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 772,1074,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2811    63 VAL  MGY         4.00    (#   2811:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1345,1059,1355,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   85 ILE  HN           63 VAL  MGY         5.00    (#   2812:20        Unique  2.80, 4.96 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2813    63 VAL  MGY         4.00    (#   2813:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1482,1491, 789,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2814    63 VAL  MGY         3.00    (#   2814:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 791,1482,1491,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2815     0 AMB  20-1:2815   6.00    (#   2815:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1824,1815,1815,
 igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#  117 LEU  HN          117 LEU  MDY         5.00    (#   2816:20        Unique  1.94, 4.26 A)
 &rst
  ixpk= 2816, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:2817   117 LEU  MDY         5.00    (#   2817:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1785,1850,1914,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:2818    66 LEU  MDX         4.00    (#   2818:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1345,1329,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   66 LEU  HN           66 LEU  MDX         3.00    (#   2819:20        Unique  1.94, 4.01 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   44 PHE  HN           66 LEU  MDX         6.00    (#   2820:20        Unique  4.54, 7.00 A)
 &rst
  ixpk= 2820, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   67 GLY  HN           66 LEU  MDX         5.00    (#   2821:20        Unique  4.42, 5.64 A)
 &rst
  ixpk= 2821, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   82 VAL  HA           66 LEU  MDX         4.00    (#   2822:20        Unique  2.10, 4.26 A)
 &rst
  ixpk= 2822, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   63 VAL  HN           62 THR  MG2         3.00    (#   2823:20        Unique  2.54, 3.72 A)
 &rst
  ixpk= 2823, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:2824    62 THR  MG2         4.00    (#   2824:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 752, 745, 746,
 igr2=1035,1036,1037,
 &end
#
#   62 THR  HA           62 THR  MG2         3.00    (#   2825:20        Unique  2.34, 2.97 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:2826    62 THR  MG2         5.40    (#   2826:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 772,1074,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:2827    62 THR  MG2         4.00    (#   2827:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1029,1059,1386,
 igr2=1035,1036,1037,
 &end
#
#   65 VAL  HN           66 LEU  MDX         6.00    (#   2828:20        Unique  4.57, 6.45 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   65 VAL  HN           65 VAL  MGY         5.00    (#   2829:20        Unique  1.92, 3.82 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           65 VAL  MGY         4.00    (#   2830:20        Unique  2.23, 4.12 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HN           65 VAL  MGY         5.00    (#   2831:20        Unique  1.67, 3.95 A)
 &rst
  ixpk= 2831, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   81 GLU  HN           65 VAL  MGY         5.00    (#   2832:20        Unique  3.62, 5.70 A)
 &rst
  ixpk= 2832, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:2833    65 VAL  MGY         5.00    (#   2833:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 680, 688, 714, 722,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   67 GLY  HN           65 VAL  MGY         3.30    (#   2834:20        Unique  1.83, 3.80 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HA           65 VAL  MGY         5.00    (#   2836:20        Unique  3.28, 5.30 A)
 &rst
  ixpk= 2836, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   10 ARG  HN            9 THR  MG2         4.00    (#   2837:20        Unique  2.45, 3.79 A)
 &rst
  ixpk= 2837, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 130, 131, 132,
 &end
#
#    9 THR  HN            9 THR  MG2         4.00    (#   2839:20        Unique  2.56, 3.45 A)
 &rst
  ixpk= 2839, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:2840    97 LEU  MDX         6.50    (#   2840:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 528, 533,1109,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  116 TRP  HD+          97 LEU  MDX         4.00    (#   2841:20        Unique  2.31, 5.33 A)
 &rst
  ixpk= 2841, nxpk= 20, iat=1815,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  119 TRP  HE1         120 LEU  MDX         4.00    (#   2842:20        Unique  3.46, 5.94 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=1881,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          120 LEU  MDX         4.40    (#   2843:20        Unique  2.39, 4.72 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  119 TRP  HD+         120 LEU  MDX         4.00    (#   2844:20        Unique  3.91, 5.44 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  119 TRP  HD-         120 LEU  MDX         4.00    (#   2845:20        Unique  3.91, 5.44 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:2846    95 ALA  MB          5.00    (#   2846:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 791, 780,
 igr2=1513,1514,1515,
 &end
#
#   48 TRP  HE1          95 ALA  MB          5.00    (#   2847:20        Unique  4.99, 5.57 A)
 &rst
  ixpk= 2847, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1513,1514,1515,
 &end
#
#   96 LYS  HN           95 ALA  MB          2.80    (#   2848:20        Unique  1.82, 2.47 A)
 &rst
  ixpk= 2848, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1513,1514,1515,
 &end
#
#   48 TRP  HZ2-         95 ALA  MB          4.50    (#   2849:20        Unique  2.90, 3.71 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1513,1514,1515,
 &end
#
#   48 TRP  HZ2+         95 ALA  MB          6.00    (#   2850:20        Unique  2.90, 3.71 A)
 &rst
  ixpk= 2850, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1513,1514,1515,
 &end
#
#   94 THR  HA           95 ALA  MB          4.00    (#   2851:20        Unique  4.39, 5.02 A)
 &rst
  ixpk= 2851, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1513,1514,1515,
 &end
#
#   57 THR  HN            0 AMB  20-1:2852   5.00    (#   2852:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2852, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 950, 951, 952, 925, 926, 927,
 &end
#
#   58 ILE  HN           57 THR  MG2         3.00    (#   2853:20        Unique  2.84, 4.11 A)
 &rst
  ixpk= 2853, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 950, 951, 952,
 &end
#
#  120 LEU  HN          120 LEU  MDX         4.00    (#   2854:20        Unique  3.70, 5.14 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  109 THR  HN          109 THR  MG2         4.00    (#   2855:20        Unique  4.32, 4.51 A)
 &rst
  ixpk= 2855, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#   17 GLU  HN           16 THR  MG2         5.00    (#   2857:20        Unique  4.55, 5.19 A)
 &rst
  ixpk= 2857, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HN           16 THR  MG2         3.00    (#   2858:20        Unique  2.06, 3.08 A)
 &rst
  ixpk= 2858, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#    0 AMB  20-2:2859    92 VAL  MGY         5.00    (#   2859:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1495,1314,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HN           92 VAL  MGY         3.00    (#   2860:20        Unique  2.31, 4.33 A)
 &rst
  ixpk= 2860, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  MGY         3.00    (#   2861:20        Unique  2.94, 5.40 A)
 &rst
  ixpk= 2861, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   83 ALA  HA           92 VAL  MGY         4.00    (#   2862:20        Unique  2.27, 4.71 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:2863    92 VAL  MGY         4.00    (#   2863:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1316,1476,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  106 ASP  HN          109 THR  MG2         4.00    (#   2864:20        Unique  3.69, 4.63 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  110 GLN  HN          109 THR  MG2         4.00    (#   2865:20        Unique  2.57, 3.68 A)
 &rst
  ixpk= 2865, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  122 ARG  HN            4 VAL  MGY         5.00    (#   2868:20        Unique  2.74, 4.67 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HN            4 VAL  MGY         4.00    (#   2869:20        Unique  1.94, 3.75 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   21 ASP  HN           20 VAL  MGY         4.00    (#   2871:20        Unique  1.82, 3.82 A)
 &rst
  ixpk= 2871, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   17 GLU  HN           20 VAL  MGY         6.30    (#   2872:20        Unique  2.72, 5.44 A)
 &rst
  ixpk= 2872, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HN           20 VAL  MGY         5.00    (#   2873:20        Unique  2.61, 4.20 A)
 &rst
  ixpk= 2873, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#  105 VAL  HN          102 ALA  MB          5.50    (#   2874:20        Unique  3.93, 5.08 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1621,1622,1623,
 &end
#
#   44 PHE  HD-         102 ALA  MB          5.50    (#   2875:20        Unique  2.66, 5.85 A)
 &rst
  ixpk= 2875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 714, 722,
 igr2=1621,1622,1623,
 &end
#
#   44 PHE  HE+         102 ALA  MB          3.00    (#   2876:20        Unique  2.39, 5.53 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 716, 720,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:2877   102 ALA  MB          6.00    (#   2877:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 745, 746, 708,
 igr2=1621,1622,1623,
 &end
#
#   92 VAL  HN           92 VAL  MGX         3.00    (#   2878:20        Unique  2.20, 3.71 A)
 &rst
  ixpk= 2878, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  102 ALA  HN          102 ALA  MB          3.00    (#   2879:20        Unique  2.26, 2.98 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:2880   102 ALA  MB          4.50    (#   2880:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1627,1646,
 igr2=1621,1622,1623,
 &end
#
#   44 PHE  HD+         102 ALA  MB          4.00    (#   2881:20        Unique  2.66, 5.85 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 714, 722,
 igr2=1621,1622,1623,
 &end
#
#   44 PHE  HE-         102 ALA  MB          5.00    (#   2882:20        Unique  2.39, 5.53 A)
 &rst
  ixpk= 2882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 716, 720,
 igr2=1621,1622,1623,
 &end
#
#   91 ASP  HN           92 VAL  MGX         5.00    (#   2883:20        Unique  4.56, 6.82 A)
 &rst
  ixpk= 2883, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:2884    65 VAL  MGX         5.00    (#   2884:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1329,1059,1345,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   42 PHE  HD+          65 VAL  MGX         6.00    (#   2885:20        Unique  1.96, 6.75 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 680, 688,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  HN           65 VAL  MGX         3.40    (#   2886:20        Unique  1.92, 3.82 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   46 GLY  HN           65 VAL  MGX         5.60    (#   2887:20        Unique  3.93, 6.26 A)
 &rst
  ixpk= 2887, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           65 VAL  MGX         5.00    (#   2888:20        Unique  2.23, 4.12 A)
 &rst
  ixpk= 2888, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HN           65 VAL  MGX         6.00    (#   2889:20        Unique  1.67, 3.95 A)
 &rst
  ixpk= 2889, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:2890    65 VAL  MGX         4.00    (#   2890:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 680, 688, 714, 722,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HE-          65 VAL  MGX         4.00    (#   2892:20        Unique  1.99, 4.35 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 716, 720,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:2894    65 VAL  MGX         5.00    (#   2894:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 745, 746, 708,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   28 ARG  HN           22 ALA  MB          4.60    (#   2896:20        Unique  3.32, 4.30 A)
 &rst
  ixpk= 2896, nxpk= 20, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 351, 352, 353,
 &end
#
#   31 GLY  HN           22 ALA  MB          4.60    (#   2897:20        Unique  3.05, 3.58 A)
 &rst
  ixpk= 2897, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HN           22 ALA  MB          3.60    (#   2898:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2898, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 351, 352, 353,
 &end
#
#   24 ASP  HN           22 ALA  MB          4.60    (#   2899:20        Unique  4.10, 4.81 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 351, 352, 353,
 &end
#
#   23 GLU  HN           22 ALA  MB          4.60    (#   2900:20        Unique  3.74, 4.19 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 351, 352, 353,
 &end
#
#   21 ASP  HN           20 VAL  MGX         5.50    (#   2902:20        Unique  1.82, 3.82 A)
 &rst
  ixpk= 2902, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HN           20 VAL  MGX         4.50    (#   2903:20        Unique  2.61, 4.20 A)
 &rst
  ixpk= 2903, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    0 AMB  20-2:2904     2 ALA  MB          6.00    (#   2904:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1948,  42,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:2905     2 ALA  MB          6.00    (#   2905:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  31,  21,
 igr2=  25,  26,  27,
 &end
#
#    4 VAL  HN            4 VAL  MGX         3.00    (#   2907:20        Unique  1.94, 3.75 A)
 &rst
  ixpk= 2907, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  118 TYR  HE            4 VAL  MGX         5.00    (#   2910:20        Unique  3.81, 7.32 A)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1860,1865,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   82 VAL  HA           82 VAL  MGX         4.00    (#   2912:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 2912, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2913    30 MET  ME          5.00    (#   2913:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226, 539,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HN           30 MET  ME          5.00    (#   2914:20        Unique  4.88, 5.96 A)
 &rst
  ixpk= 2914, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HD           30 MET  ME          5.00    (#   2915:20        Unique  3.01, 6.34 A)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 526, 535,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HN           30 MET  ME          3.80    (#   2916:20        Unique  2.31, 3.27 A)
 &rst
  ixpk= 2916, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  HN           30 MET  ME          5.50    (#   2918:20        Unique  1.96, 5.06 A)
 &rst
  ixpk= 2918, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HE-          30 MET  ME          6.00    (#   2919:20        Unique  4.78, 7.84 A)
 &rst
  ixpk= 2919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 528, 533,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2920    82 VAL  MGX         3.00    (#   2920:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1329,1059,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2921    82 VAL  MGX         6.00    (#   2921:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1314,1495,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2922    82 VAL  MGX         4.00    (#   2922:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1482,1491, 789,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2923    82 VAL  MGX         4.00    (#   2923:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1482,1491, 791,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HN           82 VAL  MGX         3.00    (#   2924:20        Unique  2.29, 4.73 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   83 ALA  HA           82 VAL  MGX         5.00    (#   2926:20        Unique  3.27, 5.19 A)
 &rst
  ixpk= 2926, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2927    82 VAL  MGX         4.00    (#   2927:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1316,1476,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   19 ILE  HN           19 ILE  QG2         4.00    (#   2930:20        Unique  2.69, 3.95 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 306, 307, 308,
 &end
#
#   22 ALA  HN           19 ILE  QG2         5.60    (#   2931:20        Unique  3.80, 4.94 A)
 &rst
  ixpk= 2931, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HN           19 ILE  QG2         3.80    (#   2932:20        Unique  1.93, 3.21 A)
 &rst
  ixpk= 2932, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 306, 307, 308,
 &end
#
#    0 AMB  20-2:2933    19 ILE  QG2         6.00    (#   2933:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 568, 577, 281,
 igr2= 306, 307, 308,
 &end
#
#   20 VAL  HN           19 ILE  QG2         6.00    (#   2934:20        Unique  4.53, 5.02 A)
 &rst
  ixpk= 2934, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HE1          19 ILE  QG2         4.50    (#   2935:20        Unique  2.64, 4.14 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 306, 307, 308,
 &end
#
#   31 GLY  HN           19 ILE  QG2         4.50    (#   2937:20        Unique  2.62, 3.75 A)
 &rst
  ixpk= 2937, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 306, 307, 308,
 &end
#
#  121 ALA  HN          121 ALA  MB          3.00    (#   2939:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#    0 AMB  20-2:2940   121 ALA  MB          5.00    (#   2940:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1948,  42,
 igr2=1918,1919,1920,
 &end
#
#   14 ILE  HN           14 ILE  QG2         4.00    (#   2942:20        Unique  3.14, 4.10 A)
 &rst
  ixpk= 2942, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   15 GLU  HN           14 ILE  QG2         3.00    (#   2943:20        Unique  2.16, 3.46 A)
 &rst
  ixpk= 2943, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 224, 225, 226,
 &end
#
#   19 ILE  HN           14 ILE  QG2         5.40    (#   2944:20        Unique  3.91, 5.91 A)
 &rst
  ixpk= 2944, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 224, 225, 226,
 &end
#
#   32 TRP  HE1          14 ILE  QG2         5.00    (#   2948:20        Unique  2.17, 4.33 A)
 &rst
  ixpk= 2948, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#   29 ALA  HN           29 ALA  MB          3.00    (#   2949:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2949, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2950    29 ALA  MB          6.00    (#   2950:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 494,1287,1292,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2951    29 ALA  MB          6.00    (#   2951:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1285,1294, 528, 533,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2952    29 ALA  MB          5.00    (#   2952:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 436, 406,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2954   105 VAL  MGX         5.00    (#   2954:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1627,1646,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  106 ASP  HN          105 VAL  MGX         3.00    (#   2955:20        Unique  2.61, 4.12 A)
 &rst
  ixpk= 2955, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2956   105 VAL  MGX         6.00    (#   2956:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1710, 706,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HN          105 VAL  MGX         4.00    (#   2957:20        Unique  2.60, 4.40 A)
 &rst
  ixpk= 2957, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  105 VAL  HN          105 VAL  MGX         3.30    (#   2958:20        Unique  2.34, 3.31 A)
 &rst
  ixpk= 2958, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   97 LEU  HN           80 VAL  MGX         6.00    (#   2959:20        Unique  2.44, 4.34 A)
 &rst
  ixpk= 2959, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  112 ALA  HN          112 ALA  MB          3.00    (#   2960:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#   35 TYR  HD+         112 ALA  MB          4.50    (#   2961:20        Unique  4.53, 8.55 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 577,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:2962   112 ALA  MB          5.00    (#   2962:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 638,1807,
 igr2=1760,1761,1762,
 &end
#
#   80 VAL  HN           80 VAL  MGX         3.00    (#   2964:20        Unique  2.42, 3.61 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HA           80 VAL  MGX         4.00    (#   2965:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2965, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   81 GLU  HN           80 VAL  MGX         5.00    (#   2966:20        Unique  2.89, 4.55 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  117 LEU  HN          114 ALA  MB          6.00    (#   2969:20        Unique  5.10, 5.55 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1789,1790,1791,
 &end
#
#  110 GLN  HE2-        114 ALA  MB          4.00    (#   2970:20        Unique  1.92, 3.34 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1736,1737,
 igr2=1789,1790,1791,
 &end
#
#  115 ASP  HN          114 ALA  MB          3.50    (#   2971:20        Unique  2.42, 3.17 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1789,1790,1791,
 &end
#
#  114 ALA  HN          114 ALA  MB          3.00    (#   2972:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2972, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  113 ILE  HN          114 ALA  MB          5.00    (#   2973:20        Unique  4.69, 5.65 A)
 &rst
  ixpk= 2973, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1789,1790,1791,
 &end
#
#  110 GLN  HE2+        114 ALA  MB          4.00    (#   2974:20        Unique  1.92, 3.34 A)
 &rst
  ixpk= 2974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1736,1737,
 igr2=1789,1790,1791,
 &end
#
#   64 GLU  HN           85 ILE  QG2         3.00    (#   2975:20        Unique  2.47, 3.82 A)
 &rst
  ixpk= 2975, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   63 VAL  HA           85 ILE  QG2         4.00    (#   2976:20        Unique  2.89, 3.98 A)
 &rst
  ixpk= 2976, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1373,1374,1375,
 &end
#
#   81 GLU  HN           69 ALA  MB          5.00    (#   2977:20        Unique  3.59, 5.35 A)
 &rst
  ixpk= 2977, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   69 ALA  HN           69 ALA  MB          3.00    (#   2978:20        Unique  2.08, 2.92 A)
 &rst
  ixpk= 2978, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1137,1138,1139,
 &end
#
#   79 TYR  HN           69 ALA  MB          6.00    (#   2979:20        Unique  3.24, 5.76 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1137,1138,1139,
 &end
#
#   79 TYR  HD           69 ALA  MB          6.00    (#   2980:20        Unique  2.52, 5.54 A)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1285,1294,
 igr2=1137,1138,1139,
 &end
#
#   80 VAL  HA           69 ALA  MB          4.00    (#   2981:20        Unique  3.07, 4.81 A)
 &rst
  ixpk= 2981, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:2982    58 ILE  QG2         3.00    (#   2982:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 977, 862,
 igr2= 964, 965, 966,
 &end
#
#   50 LYS  HN           58 ILE  QG2         4.00    (#   2983:20        Unique  2.73, 4.17 A)
 &rst
  ixpk= 2983, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 964, 965, 966,
 &end
#
#   60 GLU  HA           58 ILE  QG2         6.00    (#   2984:20        Unique  3.80, 4.54 A)
 &rst
  ixpk= 2984, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 964, 965, 966,
 &end
#
#    0 AMB  20-2:2985    63 VAL  MGX         4.00    (#   2985:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 772,1074,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HN           63 VAL  MGX         3.30    (#   2986:20        Unique  2.19, 3.56 A)
 &rst
  ixpk= 2986, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2987    63 VAL  MGX         3.20    (#   2987:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1345,1059,1355,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGX         3.00    (#   2988:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HE3          63 VAL  MGX         4.00    (#   2989:20        Unique  1.84, 3.62 A)
 &rst
  ixpk= 2989, nxpk= 20, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  HA           63 VAL  MGX         6.00    (#   2991:20        Unique  4.15, 5.97 A)
 &rst
  ixpk= 2991, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   80 VAL  HN           69 ALA  MB          5.00    (#   2992:20        Unique  3.71, 5.70 A)
 &rst
  ixpk= 2992, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:2993    58 ILE  QG2         5.00    (#   2993:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 796,1007,
 igr2= 964, 965, 966,
 &end
#
#  117 LEU  HN          113 ILE  QG2         5.00    (#   2994:20        Unique  4.00, 5.01 A)
 &rst
  ixpk= 2994, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1772,1773,1774,
 &end
#
#  114 ALA  HN          113 ILE  QG2         4.00    (#   2995:20        Unique  2.66, 3.81 A)
 &rst
  ixpk= 2995, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1772,1773,1774,
 &end
#
#  116 TRP  HN          113 ILE  QG2         6.00    (#   2996:20        Unique  5.07, 5.89 A)
 &rst
  ixpk= 2996, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  HN          113 ILE  QG2         4.00    (#   2997:20        Unique  4.35, 4.52 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1772,1773,1774,
 &end
#
#  104 ASP  HN          103 ILE  QG2         3.00    (#   2998:20        Unique  1.92, 3.49 A)
 &rst
  ixpk= 2998, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#  105 VAL  HN          103 ILE  QG2         6.00    (#   2999:20        Unique  4.63, 5.76 A)
 &rst
  ixpk= 2999, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:3000   103 ILE  QG2         6.00    (#   3000:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 745, 746, 708, 752,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:3001   103 ILE  QG2         6.00    (#   3001:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 750,1617,
 igr2=1633,1634,1635,
 &end
#
#  101 GLU  HN          100 ILE  QG2         3.00    (#   3002:20        Unique  2.41, 3.52 A)
 &rst
  ixpk= 3002, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HN          100 ILE  QG2         4.00    (#   3003:20        Unique  2.62, 3.79 A)
 &rst
  ixpk= 3003, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HE+         100 ILE  QG2         5.00    (#   3004:20        Unique  3.08, 4.97 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 716, 720,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HE-         100 ILE  QG2         5.50    (#   3005:20        Unique  3.08, 4.97 A)
 &rst
  ixpk= 3005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 716, 720,
 igr2=1589,1590,1591,
 &end
#
#    0 AMB  20-2:3006   100 ILE  QG2         3.00    (#   3006:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 745, 746,1585,
 igr2=1589,1590,1591,
 &end
#
#   45 MET  HN           45 MET  ME          6.00    (#   3008:20        Unique  5.16, 5.85 A)
 &rst
  ixpk= 3008, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  20-2:3009    45 MET  ME          3.80    (#   3009:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1043, 743,
 igr2= 737, 738, 739,
 &end
#
#   48 TRP  HN           45 MET  ME          5.80    (#   3010:20        Unique  4.83, 5.26 A)
 &rst
  ixpk= 3010, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  20-2:3011    45 MET  ME          6.00    (#   3011:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1059,1602,
 igr2= 737, 738, 739,
 &end
#
#   45 MET  HA           45 MET  ME          5.00    (#   3012:20        Unique  3.18, 4.34 A)
 &rst
  ixpk= 3012, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 737, 738, 739,
 &end
#
#   36 LEU  HN           68 MET  ME          6.00    (#   3013:20        Unique  4.50, 6.32 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   37 ASP  HN           68 MET  ME          5.00    (#   3014:20        Unique  3.08, 5.15 A)
 &rst
  ixpk= 3014, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  HN           68 MET  ME          4.00    (#   3015:20        Unique  2.98, 4.54 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   79 TYR  HN           68 MET  ME          3.50    (#   3016:20        Unique  1.80, 3.14 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1127,1128,1129,
 &end
#
#   33 TYR  HE-          68 MET  ME          4.00    (#   3017:20        Unique  2.79, 4.93 A)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 528, 533,
 igr2=1127,1128,1129,
 &end
#
#   80 VAL  HA           68 MET  ME          5.00    (#   3018:20        Unique  4.05, 5.16 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1127,1128,1129,
 &end
#
#   33 TYR  HE+          68 MET  ME          6.00    (#   3019:20        Unique  2.79, 4.93 A)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 528, 533,
 igr2=1127,1128,1129,
 &end
#
#   14 ILE  HN           14 ILE  QD1         5.00    (#   3020:20        Unique  3.66, 5.08 A)
 &rst
  ixpk= 3020, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:3021    14 ILE  QD1         5.00    (#   3021:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 237, 177,
 igr2= 231, 232, 233,
 &end
#
#  120 LEU  HN           14 ILE  QD1         7.00    (#   3022:20        Unique  6.80, 7.37 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 231, 232, 233,
 &end
#
#  119 TRP  HZ2          14 ILE  QD1         6.00    (#   3025:20        Unique  6.67, 7.82 A)
 &rst
  ixpk= 3025, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 231, 232, 233,
 &end
#
#  102 ALA  HN          113 ILE  QD1         5.00    (#   3027:20        Unique  3.48, 4.73 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HN          113 ILE  QD1         4.00    (#   3028:20        Unique  2.49, 3.51 A)
 &rst
  ixpk= 3028, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1779,1780,1781,
 &end
#
#   44 PHE  HE-         113 ILE  QD1         5.00    (#   3030:20        Unique  2.22, 4.34 A)
 &rst
  ixpk= 3030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 716, 720,
 igr2=1779,1780,1781,
 &end
#
#   35 TYR  HD+          18 ILE  QG2         4.50    (#   3032:20        Unique  2.00, 4.92 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 577,
 igr2= 287, 288, 289,
 &end
#
#   19 ILE  HN           18 ILE  QG2         4.50    (#   3033:20        Unique  2.49, 3.81 A)
 &rst
  ixpk= 3033, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 287, 288, 289,
 &end
#
#    0 AMB  20-2:3034   103 ILE  QD1         4.00    (#   3034:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 743,1043,
 igr2=1640,1641,1642,
 &end
#
#  103 ILE  HN          103 ILE  QD1         4.00    (#   3035:20        Unique  2.23, 3.59 A)
 &rst
  ixpk= 3035, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:3037   103 ILE  QD1         4.00    (#   3037:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 745, 746, 752,
 igr2=1640,1641,1642,
 &end
#
#   47 LYS  HN          103 ILE  QD1         3.50    (#   3038:20        Unique  1.99, 2.70 A)
 &rst
  ixpk= 3038, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1640,1641,1642,
 &end
#
#   35 TYR  HD-          18 ILE  QD1         6.00    (#   3040:20        Unique  3.60, 6.58 A)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 568, 577,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:3041    18 ILE  QD1         4.00    (#   3041:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 568, 577, 281,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:3042    85 ILE  QD1         4.00    (#   3042:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1059,1029,1345,
 igr2=1380,1381,1382,
 &end
#
#   85 ILE  HN           85 ILE  QD1         5.00    (#   3043:20        Unique  4.04, 4.36 A)
 &rst
  ixpk= 3043, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#   63 VAL  HA           85 ILE  QD1         5.00    (#   3044:20        Unique  3.34, 4.20 A)
 &rst
  ixpk= 3044, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#   19 ILE  HN           19 ILE  QD1         3.60    (#   3045:20        Unique  1.89, 3.12 A)
 &rst
  ixpk= 3045, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 313, 314, 315,
 &end
#
#   32 TRP  HN           19 ILE  QD1         6.00    (#   3047:20        Unique  4.38, 5.81 A)
 &rst
  ixpk= 3047, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 313, 314, 315,
 &end
#
#   32 TRP  HE1          19 ILE  QD1         4.00    (#   3048:20        Unique  1.93, 2.99 A)
 &rst
  ixpk= 3048, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 313, 314, 315,
 &end
#
#    0 AMB  20-2:3050    58 ILE  QD1         4.40    (#   3050:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 977, 862,
 igr2= 971, 972, 973,
 &end
#
#    0 AMB  20-2:3051   100 ILE  QD1         6.00    (#   3051:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1583, 785,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HA          100 ILE  QD1         4.50    (#   3052:20        Unique  1.89, 3.83 A)
 &rst
  ixpk= 3052, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1596,1597,1598,
 &end
#
#  101 GLU  HN          100 ILE  QD1         4.50    (#   3053:20        Unique  2.18, 4.23 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HA          100 ILE  QD1         4.00    (#   3054:20        Unique  2.34, 3.97 A)
 &rst
  ixpk= 3054, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1596,1597,1598,
 &end
#
#  112 ALA  MB           39 THR  HB          4.50    (#   3055:20        Unique  3.06, 3.83 A)
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1760,1761,1762,
 &end
#
#   83 ALA  MB           92 VAL  HA          4.50    (#   3056:20        Unique  3.10, 3.97 A)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1349,1350,1351,
 &end
#
#   92 VAL  HB           92 VAL  HA          4.00    (#   3057:20        Unique  2.23, 2.39 A)
 &rst
  ixpk= 3057, nxpk= 20, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3058    92 VAL  HA          3.00    (#   3058:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#    0 AMB  20-2:3059    92 VAL  HA          5.00    (#   3059:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3059, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1450,1451,1359,1360,
 &end
#
#   83 ALA  HA           92 VAL  HA          3.00    (#   3060:20        Unique  1.87, 1.99 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=1347,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 VAL  HN           92 VAL  HA          3.50    (#   3061:20        Unique  2.93, 2.94 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HN           92 VAL  HA          2.80    (#   3062:20        Unique  2.16, 2.18 A)
 &rst
  ixpk= 3062, nxpk= 20, iat=1474,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3063    92 VAL  HA          5.00    (#   3063:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3063, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1329,1059,
 &end
#
#    0 AMB  20-2:3064     0 AMB  20-1:3064   3.00    (#   3064:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1448,1436,
 &end
#
#    0 AMB  20-2:3065     0 AMB  20-1:3065   4.00    (#   3065:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1404,1405,1462,
 igr2=1448,1436,
 &end
#
#    0 AMB  20-2:3066     0 AMB  20-1:3066   4.30    (#   3066:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1349,1350,1351,1407,1408,
 igr2=1436,1448,
 &end
#
#   90 ASP  HB+          90 ASP  HA          3.00    (#   3067:20        Unique  2.47, 2.77 A)
 &rst
  ixpk= 3067, nxpk= 20, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1438,1439,
 &end
#
#   92 VAL  HN           91 ASP  HA          2.80    (#   3068:20        Unique  2.18, 2.20 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=1458,1448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   91 ASP  HN            0 AMB  20-1:3069   3.00    (#   3069:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3069, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1448,1436,
 &end
#
#   90 ASP  HN           90 ASP  HA          3.50    (#   3070:20        Unique  2.83, 2.88 A)
 &rst
  ixpk= 3070, nxpk= 20, iat=1434,1436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HN           83 ALA  HA          3.80    (#   3071:20        Unique  2.88, 3.25 A)
 &rst
  ixpk= 3071, nxpk= 20, iat=1474,1347, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#    0 AMB  20-2:3072    83 ALA  HA          2.80    (#   3072:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3072, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1355,1345,
 &end
#
#   70 PRO  HB+          70 PRO  HD+         4.50    (#   3076:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:3077   100 ILE  QD1         6.00    (#   3077:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 796,1007,
 igr2=1596,1597,1598,
 &end
#
#   82 VAL  HB          100 ILE  QD1         6.00    (#   3078:20        Unique  3.91, 5.30 A)
 &rst
  ixpk= 3078, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HB          100 ILE  QD1         4.00    (#   3079:20        Unique  2.06, 3.20 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1596,1597,1598,
 &end
#
#   35 TYR  HN           18 ILE  QG2         6.00    (#   3080:20        Unique  4.30, 5.28 A)
 &rst
  ixpk= 3080, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 287, 288, 289,
 &end
#
#   79 TYR  HN           78 MET  HA          2.80    (#   3082:20        Unique  2.14, 2.18 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=1277,1262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3083    78 MET  HA          4.60    (#   3083:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3083, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1200,1201,1281,1282,1281,1282,
 &end
#
#   78 MET  ME           78 MET  HA          4.00    (#   3084:20        Unique  1.89, 2.93 A)
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#   78 MET  HB-          78 MET  HA          3.50    (#   3085:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1264,1265,
 &end
#
#    8 GLU  HN            7 ASP  HA          4.50    (#   3086:20        Unique  2.44, 2.81 A)
 &rst
  ixpk= 3086, nxpk= 20, iat= 109,  99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ASP  HN            7 ASP  HA          5.00    (#   3087:20        Unique  2.74, 2.83 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=  97,  99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3089     7 ASP  HA          4.00    (#   3089:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3089, nxpk= 20, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 101, 102, 101, 102, 116, 117,
 &end
#
#    5 GLU  HB+           7 ASP  HA          7.00    (#   3090:20        Unique  4.72, 5.76 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  62,  63,
 &end
#
#   61 LYS  HN           60 GLU  HA          2.80    (#   3091:20        Unique  2.14, 2.17 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=1007, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LYS  HN           60 GLU  HA          4.00    (#   3092:20        Unique  2.82, 3.12 A)
 &rst
  ixpk= 3092, nxpk= 20, iat= 818, 994, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 GLU  HN           60 GLU  HA          4.00    (#   3093:20        Unique  2.84, 2.86 A)
 &rst
  ixpk= 3093, nxpk= 20, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 GLU  HB+          60 GLU  HA          3.00    (#   3094:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#    0 AMB  20-2:3095     0 AMB  20-1:3095   3.00    (#   3095:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2002,2003,1478,1479,
 igr2=1228,1476,
 &end
#
#   93 TYR  HB-          93 TYR  HA          3.00    (#   3096:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 3096, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1478,1479,
 &end
#
#   76 LYS  HB+          76 LYS  HA          3.00    (#   3097:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1230,1231,
 &end
#
#    0 AMB  20-2:3098     0 AMB  20-1:3098   4.00    (#   3098:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1236,1237,1462,1211,1212,
 igr2=1228,1476,
 &end
#
#   76 LYS  HG+          76 LYS  HA          4.00    (#   3099:20        Unique  2.59, 3.32 A)
 &rst
  ixpk= 3099, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1233,1234,
 &end
#
#    0 AMB  20-2:3100    93 TYR  HA          6.00    (#   3100:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   93 TYR  HD-          93 TYR  HA          3.80    (#   3101:20        Unique  2.30, 3.72 A)
 &rst
  ixpk= 3101, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1482,1491,
 &end
#
#   93 TYR  HD+          93 TYR  HA          4.00    (#   3102:20        Unique  2.30, 3.72 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1482,1491,
 &end
#
#   93 TYR  HN           93 TYR  HA          3.50    (#   3103:20        Unique  2.94, 2.95 A)
 &rst
  ixpk= 3103, nxpk= 20, iat=1474,1476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 LYS  HN           76 LYS  HA          3.50    (#   3104:20        Unique  2.80, 2.88 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=1226,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  HN           93 TYR  HA          3.00    (#   3105:20        Unique  2.21, 2.45 A)
 &rst
  ixpk= 3105, nxpk= 20, iat=1495,1476, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASP  HB-          84 ASP  HA          3.00    (#   3106:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   85 ILE  HN           84 ASP  HA          2.80    (#   3107:20        Unique  2.18, 2.20 A)
 &rst
  ixpk= 3107, nxpk= 20, iat=1367,1357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3108    84 ASP  HA          3.00    (#   3108:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3108, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1355,1386,1059,
 &end
#
#    0 AMB  20-2:3109    57 THR  HB          4.00    (#   3109:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3109, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 946, 923,
 &end
#
#   81 GLU  HN           80 VAL  HA          2.80    (#   3111:20        Unique  2.19, 2.27 A)
 &rst
  ixpk= 3111, nxpk= 20, iat=1314,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 ALA  HN           80 VAL  HA          3.50    (#   3112:20        Unique  1.89, 2.72 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1133,1300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 VAL  MGY          80 VAL  HA          4.00    (#   3113:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 3113, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HB           80 VAL  HA          4.00    (#   3114:20        Unique  2.26, 2.35 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 PHE  HD+          43 PRO  HA          5.00    (#   3116:20        Unique  2.76, 4.47 A)
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 688,
 &end
#
#   42 PHE  HN           43 PRO  HA          5.00    (#   3117:20        Unique  4.51, 4.64 A)
 &rst
  ixpk= 3117, nxpk= 20, iat= 672, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           94 THR  HA          3.50    (#   3118:20        Unique  2.93, 2.95 A)
 &rst
  ixpk= 3118, nxpk= 20, iat=1495,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 VAL  HN           94 THR  HA          3.80    (#   3119:20        Unique  2.97, 3.20 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=1329,1497, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   95 ALA  HN           94 THR  HA          2.80    (#   3120:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=1509,1497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 VAL  HN           44 PHE  HA          5.00    (#   3122:20        Unique  4.15, 4.38 A)
 &rst
  ixpk= 3122, nxpk= 20, iat=1074, 708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3124    94 THR  HA          5.00    (#   3124:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3124, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1511,1118,
 &end
#
#   81 GLU  HA           94 THR  HA          3.00    (#   3125:20        Unique  2.15, 2.52 A)
 &rst
  ixpk= 3125, nxpk= 20, iat=1316,1497, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HG1-         19 ILE  QD1         3.00    (#   3126:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 310, 311,
 igr2= 313, 314, 315,
 &end
#
#   43 PRO  HA           43 PRO  HD-         4.50    (#   3130:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 3130, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 693, 694,
 &end
#
#   25 LYS  HN           24 ASP  HA          2.80    (#   3131:20        Unique  2.30, 2.36 A)
 &rst
  ixpk= 3131, nxpk= 20, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 ASP  HN           24 ASP  HA          3.50    (#   3132:20        Unique  2.89, 2.89 A)
 &rst
  ixpk= 3132, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ASP  HB+          24 ASP  HA          3.00    (#   3133:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 3133, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#   24 ASP  HB-          24 ASP  HA          3.00    (#   3134:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 3134, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#    0 AMB  20-2:3135    24 ASP  HA          4.60    (#   3135:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3135, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 361, 362, 425, 426,
 &end
#
#    0 AMB  20-2:3136    24 ASP  HA          5.60    (#   3136:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 361, 362, 388, 389,
 &end
#
#    0 AMB  20-2:3137    24 ASP  HA          5.00    (#   3137:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 394, 395, 391, 392,
 &end
#
#  115 ASP  HN          112 ALA  HA          4.00    (#   3143:20        Unique  3.54, 3.89 A)
 &rst
  ixpk= 3143, nxpk= 20, iat=1795,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          112 ALA  HA          3.00    (#   3145:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3145, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  20-2:3146   112 ALA  HA          4.00    (#   3146:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#    0 AMB  20-2:3147   112 ALA  HA          5.00    (#   3147:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3147, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 &end
#
#  124 TYR  HB+         124 TYR  HA          4.00    (#   3148:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 3148, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1959,1960,
 &end
#
#    3 SER  HA            2 ALA  MB          6.00    (#   3150:20        Unique  3.79, 4.79 A)
 &rst
  ixpk= 3150, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  25,  26,  27,
 &end
#
#    3 SER  HA            3 SER  HB-         3.00    (#   3152:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 3152, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#   59 GLU  HB-          52 SER  HB+         7.50    (#   3153:20        Unique  3.11, 6.16 A)
 &rst
  ixpk= 3153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1= 981, 982,
 igr2= 866, 867,
 &end
#
#   25 LYS  HB+          25 LYS  HA          3.00    (#   3155:20        Unique  2.36, 2.45 A)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 388, 389,
 &end
#
#    0 AMB  20-2:3156     4 VAL  MGX         4.00    (#   3156:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1926,1875,1876,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:3157    20 VAL  MGX         6.50    (#   3157:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 268, 337,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    3 SER  HA            3 SER  HB-         3.00    (#   3164:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 3164, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#   93 TYR  HN           92 VAL  MGX         4.30    (#   3165:20        Unique  2.31, 4.33 A)
 &rst
  ixpk= 3165, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  MGX         5.00    (#   3166:20        Unique  2.94, 5.40 A)
 &rst
  ixpk= 3166, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:3167    20 VAL  MGY         6.50    (#   3167:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 268, 337,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   22 ALA  HN           20 VAL  MGY         8.00    (#   3168:20        Unique  3.47, 5.71 A)
 &rst
  ixpk= 3168, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   84 ASP  HA           63 VAL  MGY         4.00    (#   3169:20        Unique  1.75, 4.20 A)
 &rst
  ixpk= 3169, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   42 PHE  HD+          65 VAL  MGY         7.00    (#   3170:20        Unique  1.96, 6.75 A)
 &rst
  ixpk= 3170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 680, 688,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:3171   105 VAL  MGX         5.00    (#   3171:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1629,1688,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   82 VAL  MGX          80 VAL  MGX         4.00    (#   3172:20        Unique  1.95, 6.39 A)
 &rst
  ixpk= 3172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:3173    80 VAL  MGX         5.00    (#   3173:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 642, 643,1593,1594,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HB           80 VAL  MGX         5.00    (#   3174:20        Unique  3.07, 6.04 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   79 TYR  HA           80 VAL  MGX         5.00    (#   3175:20        Unique  3.08, 4.69 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   95 ALA  HN           80 VAL  MGX         4.00    (#   3176:20        Unique  2.71, 4.84 A)
 &rst
  ixpk= 3176, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   66 LEU  HN           82 VAL  MGX         6.00    (#   3177:20        Unique  2.77, 5.50 A)
 &rst
  ixpk= 3177, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:3178   105 VAL  MGY         5.60    (#   3178:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1627,1646,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   23 GLU  HB-          22 ALA  HA          5.60    (#   3179:20        Unique  4.60, 5.26 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 361, 362,
 &end
#
#   27 GLU  HB+          22 ALA  MB          3.60    (#   3180:20        Unique  1.88, 3.19 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 425, 426,
 igr2= 351, 352, 353,
 &end
#
#  102 ALA  HA          102 ALA  MB          3.00    (#   3181:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3181, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1621,1622,1623,
 &end
#
#   32 TRP  HB+          29 ALA  HA          4.00    (#   3183:20        Unique  2.57, 3.43 A)
 &rst
  ixpk= 3183, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 498, 499,
 &end
#
#   92 VAL  HA           83 ALA  HA          2.80    (#   3184:20        Unique  1.87, 1.99 A)
 &rst
  ixpk= 3184, nxpk= 20, iat=1460,1347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   95 ALA  HN           95 ALA  MB          3.00    (#   3185:20        Unique  3.14, 3.69 A)
 &rst
  ixpk= 3185, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:3186   112 ALA  HA          4.00    (#   3186:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3186, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 570, 575,1766,
 &end
#
#  112 ALA  HA          112 ALA  MB          3.00    (#   3187:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3187, nxpk= 20, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:3188   114 ALA  HA          3.00    (#   3188:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3188, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1785,1850,
 &end
#
#   58 ILE  HA           58 ILE  QD1         4.00    (#   3189:20        Unique  2.17, 3.37 A)
 &rst
  ixpk= 3189, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#   85 ILE  HN           85 ILE  QG2         3.00    (#   3190:20        Unique  2.69, 3.41 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   45 MET  ME           85 ILE  QD1         3.00    (#   3192:20        Unique  1.99, 4.58 A)
 &rst
  ixpk= 3192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 737, 738, 739,
 igr2=1380,1381,1382,
 &end
#
#   63 VAL  HN           85 ILE  QD1         5.00    (#   3193:20        Unique  2.90, 4.44 A)
 &rst
  ixpk= 3193, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#   36 LEU  HN           36 LEU  HA          3.50    (#   3194:20        Unique  2.79, 2.82 A)
 &rst
  ixpk= 3194, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 LEU  MDX          75 LEU  HB-         3.80    (#   3195:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 3195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#  117 LEU  HA          120 LEU  HB+         4.00    (#   3196:20        Unique  2.22, 3.68 A)
 &rst
  ixpk= 3196, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#  113 ILE  HN           40 LEU  MDX         5.00    (#   3197:20        Unique  2.44, 4.76 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   38 ASP  HB+          38 ASP  HA          3.00    (#   3198:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#   33 TYR  HN           78 MET  ME          3.00    (#   3199:20        Unique  1.86, 3.27 A)
 &rst
  ixpk= 3199, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1271,1272,1273,
 &end
#
#   27 GLU  HA           30 MET  HB+         4.00    (#   3200:20        Unique  2.20, 3.27 A)
 &rst
  ixpk= 3200, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 474, 475,
 &end
#
#   27 GLU  HA           30 MET  HB-         4.00    (#   3201:20        Unique  2.20, 3.27 A)
 &rst
  ixpk= 3201, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 474, 475,
 &end
#
#    0 AMB  20-2:3202    45 MET  ME          5.00    (#   3202:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
 igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
 igr2= 737, 738, 739,
 &end
#
#   75 LEU  MDX          26 GLU  HA          4.00    (#   3203:20        Unique  2.66, 4.89 A)
 &rst
  ixpk= 3203, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   10 ARG  HN            9 THR  HA          4.00    (#   3204:20        Unique  3.24, 3.30 A)
 &rst
  ixpk= 3204, nxpk= 20, iat= 138, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 ARG  HN           10 ARG  HB+         4.00    (#   3205:20        Unique  2.31, 2.79 A)
 &rst
  ixpk= 3205, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 142, 143,
 &end
#
#   12 HIS  HN           11 GLU  HG+         4.50    (#   3206:20        Unique  2.52, 4.10 A)
 &rst
  ixpk= 3206, nxpk= 20, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 169, 170,
 &end
#
#   66 LEU  HN           67 GLY  HA+         5.00    (#   3207:20        Unique  4.55, 4.81 A)
 &rst
  ixpk= 3207, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1111,1112,
 &end
#
#   15 GLU  HB-          14 ILE  HA          6.00    (#   3208:20        Unique  5.57, 5.85 A)
 &rst
  ixpk= 3208, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 241, 242,
 &end
#
#    0 AMB  20-2:3209    14 ILE  HA          3.50    (#   3209:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3209, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 222, 273, 274,
 &end
#
#   14 ILE  HN           14 ILE  HA          4.00    (#   3210:20        Unique  2.69, 2.70 A)
 &rst
  ixpk= 3210, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  HN           14 ILE  HG1-        4.50    (#   3211:20        Unique  2.61, 3.78 A)
 &rst
  ixpk= 3211, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 228, 229,
 &end
#
#    0 AMB  20-2:3212    27 GLU  HA          4.00    (#   3212:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3212, nxpk= 20, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 406,
 &end
#
#   19 ILE  HN           18 ILE  HA          4.00    (#   3215:20        Unique  3.42, 3.53 A)
 &rst
  ixpk= 3215, nxpk= 20, iat= 300, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HN           18 ILE  HA          5.00    (#   3216:20        Unique  4.44, 4.50 A)
 &rst
  ixpk= 3216, nxpk= 20, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HG1-         18 ILE  HA          3.50    (#   3217:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 291, 292,
 &end
#
#   18 ILE  QD1          18 ILE  HA          5.20    (#   3218:20        Unique  2.32, 4.42 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  QG2          19 ILE  HA          5.20    (#   3223:20        Unique  3.22, 4.42 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 287, 288, 289,
 &end
#
#   20 VAL  HN           19 ILE  HG1-        6.00    (#   3225:20        Unique  1.73, 3.06 A)
 &rst
  ixpk= 3225, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 310, 311,
 &end
#
#   20 VAL  HN           19 ILE  HG1+        6.00    (#   3226:20        Unique  1.73, 3.06 A)
 &rst
  ixpk= 3226, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 310, 311,
 &end
#
#   32 TRP  HN           19 ILE  HG1-        6.50    (#   3227:20        Unique  4.19, 5.74 A)
 &rst
  ixpk= 3227, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 310, 311,
 &end
#
#   21 ASP  HN           21 ASP  HB-         3.50    (#   3229:20        Unique  2.35, 2.76 A)
 &rst
  ixpk= 3229, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   25 LYS  HN           25 LYS  HB+         3.80    (#   3231:20        Unique  2.46, 3.09 A)
 &rst
  ixpk= 3231, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 388, 389,
 &end
#
#   96 LYS  HG+          96 LYS  HE+         3.00    (#   3232:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 3232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#    0 AMB  20-2:3233     0 AMB  20-1:3233   3.00    (#   3233:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1523,1524,
 igr2=1532,1533,1532,1533,
 &end
#
#   27 GLU  HN           26 GLU  HA          4.00    (#   3234:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 3234, nxpk= 20, iat= 421, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 MET  HN           30 MET  HA          3.50    (#   3238:20        Unique  2.79, 2.80 A)
 &rst
  ixpk= 3238, nxpk= 20, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 ALA  HN           65 VAL  HA          5.00    (#   3239:20        Unique  3.89, 4.34 A)
 &rst
  ixpk= 3239, nxpk= 20, iat=1345,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HD-          35 TYR  HB+         4.00    (#   3240:20        Unique  2.31, 3.05 A)
 &rst
  ixpk= 3240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 568, 577,
 igr2= 564, 565,
 &end
#
#   40 LEU  HN           39 THR  HB          4.00    (#   3241:20        Unique  2.05, 2.51 A)
 &rst
  ixpk= 3241, nxpk= 20, iat= 638, 628, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  HN           39 THR  HB          4.00    (#   3242:20        Unique  2.30, 2.38 A)
 &rst
  ixpk= 3242, nxpk= 20, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 PHE  HA           43 PRO  HA          3.00    (#   3243:20        Unique  1.96, 2.05 A)
 &rst
  ixpk= 3243, nxpk= 20, iat= 674, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 GLU  HG+          16 THR  HA          6.00    (#   3244:20        Unique  4.30, 5.21 A)
 &rst
  ixpk= 3244, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 273, 274,
 &end
#
#   15 GLU  HG-          16 THR  HA          4.00    (#   3245:20        Unique  3.29, 3.65 A)
 &rst
  ixpk= 3245, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 244, 245,
 &end
#
#   44 PHE  HN           43 PRO  HG-         5.50    (#   3246:20        Unique  4.56, 4.98 A)
 &rst
  ixpk= 3246, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
#   43 PRO  HA           43 PRO  HG+         4.50    (#   3247:20        Unique  3.85, 3.94 A)
 &rst
  ixpk= 3247, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 696, 697,
 &end
#
#   47 LYS  HE+          47 LYS  HB-         4.40    (#   3248:20        Unique  2.79, 4.20 A)
 &rst
  ixpk= 3248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 763, 764,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:3249    52 SER  HA          4.00    (#   3249:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 862, 977,
 &end
#
#   63 VAL  HN           62 THR  HA          2.80    (#   3250:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 3250, nxpk= 20, iat=1043,1031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HN           62 THR  HA          4.00    (#   3251:20        Unique  3.43, 3.56 A)
 &rst
  ixpk= 3251, nxpk= 20, iat= 772,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 LYS  HA           62 THR  HA          3.50    (#   3252:20        Unique  2.68, 2.82 A)
 &rst
  ixpk= 3252, nxpk= 20, iat= 752,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 THR  MG2          62 THR  HA          3.00    (#   3254:20        Unique  2.34, 2.97 A)
 &rst
  ixpk= 3254, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1035,1036,1037,
 &end
#
#    0 AMB  20-2:3255     0 AMB  20-1:3255   4.10    (#   3255:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1181, 252,
 igr2=1188,1189, 273, 274,
 &end
#
#   81 GLU  HN           81 GLU  HA          3.50    (#   3257:20        Unique  2.87, 2.89 A)
 &rst
  ixpk= 3257, nxpk= 20, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 VAL  HN           81 GLU  HA          4.00    (#   3258:20        Unique  2.14, 2.16 A)
 &rst
  ixpk= 3258, nxpk= 20, iat=1329,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3259     0 AMB  20-1:3259   4.00    (#   3259:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1367,1541,1434,
 igr2=1359,1360,1281,1282,
 &end
#
#    0 AMB  20-2:3260     0 AMB  20-1:3260   3.00    (#   3260:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1674,1698,
 igr2=1678,1679,1678,1679,
 &end
#
#    0 AMB  20-2:3261   106 ASP  HB-         3.00    (#   3261:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1674,1698,
 igr2=1678,1679,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.00    (#   3262:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 3262, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1426,1427,
 &end
#
#    0 AMB  20-2:3263     0 AMB  20-1:3263   3.00    (#   3263:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1426,1427, 339, 340,
 igr2=1424, 337,
 &end
#
#   21 ASP  HB+          21 ASP  HA          3.00    (#   3264:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 3264, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 339, 340,
 &end
#
#   92 VAL  HN           91 ASP  HB-         3.10    (#   3265:20        Unique  2.82, 3.61 A)
 &rst
  ixpk= 3265, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1450,1451,
 &end
#
#   93 TYR  HA           94 THR  HB          5.50    (#   3266:20        Unique  5.03, 5.14 A)
 &rst
  ixpk= 3266, nxpk= 20, iat=1476,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 ALA  HN           94 THR  HB          4.50    (#   3267:20        Unique  3.92, 4.03 A)
 &rst
  ixpk= 3267, nxpk= 20, iat=1509,1499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 ALA  HN           94 THR  MG2         3.50    (#   3268:20        Unique  3.06, 4.00 A)
 &rst
  ixpk= 3268, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1501,1502,1503,
 &end
#
#   98 SER  HN           98 SER  HA          3.50    (#   3269:20        Unique  2.81, 2.85 A)
 &rst
  ixpk= 3269, nxpk= 20, iat=1560,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 LYS  HN          101 GLU  HB+         4.00    (#   3270:20        Unique  1.82, 3.03 A)
 &rst
  ixpk= 3270, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1606,1607,
 &end
#
#   47 LYS  HN          101 GLU  HB-         3.00    (#   3271:20        Unique  1.82, 3.03 A)
 &rst
  ixpk= 3271, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1606,1607,
 &end
#
#   23 GLU  HN           23 GLU  HB-         4.40    (#   3272:20        Unique  2.59, 3.25 A)
 &rst
  ixpk= 3272, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 361, 362,
 &end
#
#  101 GLU  HN          101 GLU  HG+         4.00    (#   3273:20        Unique  4.19, 4.62 A)
 &rst
  ixpk= 3273, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1609,1610,
 &end
#
#  120 LEU  HN          119 TRP  HB+         4.50    (#   3274:20        Unique  3.05, 3.85 A)
 &rst
  ixpk= 3274, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1875,1876,
 &end
#
#  120 LEU  HN          119 TRP  HB-         4.50    (#   3275:20        Unique  3.05, 3.85 A)
 &rst
  ixpk= 3275, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1875,1876,
 &end
#
#   66 LEU  MDX          43 PRO  HA          6.00    (#   3276:20        Unique  4.39, 6.69 A)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#  102 ALA  HA           46 GLY  HA-         3.50    (#   3278:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 3278, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#  107 ASP  HB-         107 ASP  HA          3.00    (#   3279:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 3279, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  107 ASP  HB-         106 ASP  HA          5.00    (#   3280:20        Unique  4.55, 5.49 A)
 &rst
  ixpk= 3280, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1690,1691,
 &end
#
#   62 THR  HB           62 THR  MG2         3.00    (#   3281:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3281, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#   30 MET  HA           78 MET  ME          6.00    (#   3283:20        Unique  4.71, 5.81 A)
 &rst
  ixpk= 3283, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:3284   109 THR  HA          5.00    (#   3284:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1776,1777,1728,1729,
 &end
#
#   40 LEU  MDX         109 THR  HA          5.00    (#   3285:20        Unique  1.91, 4.31 A)
 &rst
  ixpk= 3285, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:3288    31 GLY  HA-         6.00    (#   3288:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 564, 565, 498, 499,
 igr2= 489, 490,
 &end
#
#   38 ASP  HA           38 ASP  HB-         3.00    (#   3289:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 3289, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#    0 AMB  20-2:3290     0 AMB  20-1:3290   6.00    (#   3290:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 714, 722, 680, 688,
 igr2= 642, 643, 642, 643,
 &end
#
#   41 GLU  HN           40 LEU  HB-         4.20    (#   3292:20        Unique  2.56, 3.49 A)
 &rst
  ixpk= 3292, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 642, 643,
 &end
#
#   42 PHE  HD+          40 LEU  HB-         6.50    (#   3293:20        Unique  2.73, 5.05 A)
 &rst
  ixpk= 3293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 680, 688,
 igr2= 642, 643,
 &end
#
#   36 LEU  HN           35 TYR  HB+         6.00    (#   3296:20        Unique  2.68, 3.58 A)
 &rst
  ixpk= 3296, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 564, 565,
 &end
#
#  118 TYR  HA          118 TYR  HB+         3.00    (#   3297:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 3297, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1854,1855,
 &end
#
#  118 TYR  HA          118 TYR  HB-         3.00    (#   3300:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 3300, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1854,1855,
 &end
#
#  108 ASP  HA          108 ASP  HB+         3.50    (#   3301:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 3301, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   17 GLU  HB-          18 ILE  QD1         5.00    (#   3302:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 3302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 270, 271,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:3303    18 ILE  QG2         6.00    (#   3303:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 585, 586, 270, 271,
 igr2= 287, 288, 289,
 &end
#
#  114 ALA  HN          113 ILE  QD1         5.50    (#   3304:20        Unique  4.00, 4.95 A)
 &rst
  ixpk= 3304, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1779,1780,1781,
 &end
#
#  102 ALA  HA          103 ILE  QD1         5.50    (#   3305:20        Unique  3.26, 4.71 A)
 &rst
  ixpk= 3305, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1640,1641,1642,
 &end
#
#   85 ILE  HA           85 ILE  QD1         4.50    (#   3306:20        Unique  4.61, 5.08 A)
 &rst
  ixpk= 3306, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1380,1381,1382,
 &end
#
#   15 GLU  HA           19 ILE  QD1         3.50    (#   3307:20        Unique  1.84, 2.77 A)
 &rst
  ixpk= 3307, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 313, 314, 315,
 &end
#
#    0 AMB  20-2:3308    19 ILE  QD1         3.00    (#   3308:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 285, 224, 225, 226,
 igr2= 313, 314, 315,
 &end
#
#  125 LYS  HA          125 LYS  HB+         3.00    (#   3311:20        Unique  2.37, 2.69 A)
 &rst
  ixpk= 3311, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1980,1981,
 &end
#
#  125 LYS  HA          125 LYS  HB-         3.00    (#   3312:20        Unique  2.37, 2.69 A)
 &rst
  ixpk= 3312, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1980,1981,
 &end
#
#  125 LYS  HA          125 LYS  HG+         4.00    (#   3314:20        Unique  2.57, 3.31 A)
 &rst
  ixpk= 3314, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1983,1984,
 &end
#
#  124 TYR  HA          125 LYS  HG+         6.50    (#   3315:20        Unique  3.52, 5.21 A)
 &rst
  ixpk= 3315, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1983,1984,
 &end
#
#  125 LYS  HB+         125 LYS  HG+         3.00    (#   3316:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 3316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1980,1981,
 igr2=1983,1984,
 &end
#
#    0 AMB  20-2:3317     0 AMB  20-1:3317   3.00    (#   3317:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1980,1981,1986,1987,
 igr2=1983,1984,1983,1984,
 &end
#
#  124 TYR  HA          124 TYR  HB+         4.00    (#   3318:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 3318, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1959,1960,
 &end
#
#  124 TYR  HA          124 TYR  HB-         5.00    (#   3319:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 3319, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1959,1960,
 &end
#
#  122 ARG  HN          121 ALA  MB          3.00    (#   3320:20        Unique  2.35, 3.41 A)
 &rst
  ixpk= 3320, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  109 THR  HA          112 ALA  MB          3.00    (#   3321:20        Unique  2.69, 3.81 A)
 &rst
  ixpk= 3321, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#   75 LEU  HG           75 LEU  HB+         3.00    (#   3323:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 3323, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   98 SER  HB+         120 LEU  MDY         4.00    (#   3324:20        Unique  2.92, 5.40 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1564,1565,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  MDY         3.00    (#   3325:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 3325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:3328     0 AMB  20-1:3328   5.00    (#   3328:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
 igr1=1809,1619, 614,
 igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,1049,1050,1051,1053,1054,1055, 630, 631,
       632,
 &end
#
#   92 VAL  HA           83 ALA  MB          4.00    (#   3329:20        Unique  3.10, 3.97 A)
 &rst
  ixpk= 3329, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1349,1350,1351,
 &end
#
#  117 LEU  HN          116 TRP  HB+         4.20    (#   3330:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 3330, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1811,1812,
 &end
#
#   97 LEU  HG          116 TRP  HB+         5.00    (#   3331:20        Unique  3.75, 4.48 A)
 &rst
  ixpk= 3331, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1811,1812,
 &end
#
#   78 MET  HG-         116 TRP  HB-         5.00    (#   3332:20        Unique  2.86, 4.79 A)
 &rst
  ixpk= 3332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1267,1268,
 igr2=1811,1812,
 &end
#
#  113 ILE  HA          113 ILE  HG1-        3.50    (#   3333:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 3333, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  111 GLU  HA          111 GLU  HG+         3.00    (#   3334:20        Unique  2.51, 3.16 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1748,1749,
 &end
#
#    0 AMB  20-2:3335     0 AMB  20-1:3335   4.60    (#   3335:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 349,  44,
 igr2= 364, 365,  65,  66,
 &end
#
#  110 GLN  HB-         110 GLN  HA          3.00    (#   3336:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 3336, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  105 VAL  HB          109 THR  HB          4.50    (#   3337:20        Unique  1.96, 2.17 A)
 &rst
  ixpk= 3337, nxpk= 20, iat=1662,1714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3338   109 THR  HB          4.50    (#   3338:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3338, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 &end
#
#  109 THR  MG2         109 THR  HB          3.00    (#   3339:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 3339, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#  111 GLU  HB+         108 ASP  HA          4.00    (#   3340:20        Unique  2.84, 3.66 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1745,1746,
 &end
#
#    0 AMB  20-2:3341     0 AMB  20-1:3341   3.00    (#   3341:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1123,1124,1702,1703,
 igr2= 602,1700,
 &end
#
#  109 THR  HN          108 ASP  HB+         3.50    (#   3342:20        Unique  2.52, 2.89 A)
 &rst
  ixpk= 3342, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   47 LYS  HG+         103 ILE  QD1         4.00    (#   3343:20        Unique  2.18, 4.28 A)
 &rst
  ixpk= 3343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 757, 758,
 igr2=1640,1641,1642,
 &end
#
#  104 ASP  HA          103 ILE  QG2         4.00    (#   3344:20        Unique  3.80, 4.79 A)
 &rst
  ixpk= 3344, nxpk= 20, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1633,1634,1635,
 &end
#
#   47 LYS  HN          101 GLU  HB+         4.00    (#   3345:20        Unique  1.82, 3.03 A)
 &rst
  ixpk= 3345, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1606,1607,
 &end
#
#  101 GLU  HG+         101 GLU  HB+         3.00    (#   3346:20        Unique  2.33, 2.56 A)
 &rst
  ixpk= 3346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1609,1610,
 igr2=1606,1607,
 &end
#
#   23 GLU  HN           23 GLU  HG+         3.60    (#   3348:20        Unique  2.87, 3.36 A)
 &rst
  ixpk= 3348, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 364, 365,
 &end
#
#    0 AMB  20-2:3349     0 AMB  20-1:3349   5.00    (#   3349:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1564,1565,1564,1565,
 &end
#
#    0 AMB  20-2:3350     0 AMB  20-1:3350   6.00    (#   3350:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 igr2=1564,1565,1564,1565,
 &end
#
#   97 LEU  HN           97 LEU  HA          3.50    (#   3351:20        Unique  2.68, 2.71 A)
 &rst
  ixpk= 3351, nxpk= 20, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 LEU  HN           97 LEU  HB+         3.50    (#   3352:20        Unique  2.20, 2.98 A)
 &rst
  ixpk= 3352, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   97 LEU  HA           97 LEU  HB+         3.50    (#   3353:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 3353, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   75 LEU  MDX          75 LEU  HB+         3.00    (#   3354:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:3356    83 ALA  MB          4.00    (#   3356:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:3357    97 LEU  HA          5.00    (#   3357:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3357, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1596,1597,1598,1513,1514,1515,
 &end
#
#   96 LYS  HG-          96 LYS  HA          4.00    (#   3358:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 3358, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   98 SER  HN           96 LYS  HE+         7.00    (#   3359:20        Unique  5.15, 6.40 A)
 &rst
  ixpk= 3359, nxpk= 20, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1532,1533,
 &end
#
#    0 AMB  20-2:3360     0 AMB  20-1:3360   3.00    (#   3360:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 904, 905,1407,1408,
 igr2= 910, 911,1413,1414,
 &end
#
#    0 AMB  20-2:3361     0 AMB  20-1:3361   3.00    (#   3361:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1236,1237,1529,1530,1523,1524,
 igr2=1239,1240,1532,1533,
 &end
#
#    0 AMB  20-2:3362     0 AMB  20-1:3362   3.00    (#   3362:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1407,1408,1014,1015, 803, 804,1349,1350,1351,
 igr2=1359,1360,1359,1360,1575,1576,1359,1360,
 &end
#
#   60 GLU  HB+          47 LYS  HE+         3.00    (#   3363:20        Unique  1.93, 5.20 A)
 &rst
  ixpk= 3363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 996, 997,
 igr2= 763, 764,
 &end
#
#  103 ILE  QD1          47 LYS  HE+         3.00    (#   3364:20        Unique  2.38, 3.93 A)
 &rst
  ixpk= 3364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2= 763, 764,
 &end
#
#   80 VAL  MGX          94 THR  MG2         5.00    (#   3366:20        Unique  4.74, 6.76 A)
 &rst
  ixpk= 3366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1501,1502,1503,
 &end
#
#   95 ALA  MB           94 THR  MG2         5.00    (#   3367:20        Unique  5.19, 6.58 A)
 &rst
  ixpk= 3367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1513,1514,1515,
 igr2=1501,1502,1503,
 &end
#
#   45 MET  HG+          62 THR  MG2         5.80    (#   3368:20        Unique  4.78, 5.45 A)
 &rst
  ixpk= 3368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 733, 734,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:3369    62 THR  MG2         6.00    (#   3369:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 733, 734, 776, 777,
 igr2=1035,1036,1037,
 &end
#
#   35 TYR  HD-          35 TYR  HA          4.50    (#   3372:20        Unique  2.11, 3.68 A)
 &rst
  ixpk= 3372, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 568, 577,
 &end
#
#   92 VAL  HN           93 TYR  HA          5.50    (#   3375:20        Unique  4.73, 4.76 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=1458,1476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3377    30 MET  ME          4.00    (#   3377:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 522, 523, 462,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HE+          30 MET  ME          6.00    (#   3378:20        Unique  4.78, 7.84 A)
 &rst
  ixpk= 3378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 528, 533,
 igr2= 481, 482, 483,
 &end
#
#   65 VAL  HA           82 VAL  MGX         4.50    (#   3379:20        Unique  1.52, 3.98 A)
 &rst
  ixpk= 3379, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   48 TRP  HD+          50 LYS  HB-         5.80    (#   3381:20        Unique  3.41, 4.52 A)
 &rst
  ixpk= 3381, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 822, 823,
 &end
#
#   51 LYS  HN           50 LYS  HB-         4.50    (#   3382:20        Unique  3.14, 3.78 A)
 &rst
  ixpk= 3382, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   72 ASP  HN           70 PRO  HB+         4.00    (#   3384:20        Unique  2.20, 3.11 A)
 &rst
  ixpk= 3384, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD+          70 PRO  HB+         4.20    (#   3386:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#    3 SER  HB+           1 MET  HG+         5.00    (#   3388:20        Unique  3.97, 6.11 A)
 &rst
  ixpk= 3388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  35,  36,
 igr2=  11,  12,
 &end
#
#   33 TYR  HN           32 TRP  HB+         4.00    (#   3389:20        Unique  2.24, 2.77 A)
 &rst
  ixpk= 3389, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 498, 499,
 &end
#
#   33 TYR  HN           32 TRP  HB-         4.00    (#   3390:20        Unique  2.24, 2.77 A)
 &rst
  ixpk= 3390, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:3393     0 AMB  20-1:3393   6.00    (#   3393:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 460, 507, 547, 556,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:3394    32 TRP  HB-         6.00    (#   3394:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 460, 507, 547, 556,
 igr2= 498, 499,
 &end
#
#   63 VAL  HB           63 VAL  MGX         3.00    (#   3397:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#  113 ILE  HN          110 GLN  HA          4.00    (#   3398:20        Unique  3.55, 3.67 A)
 &rst
  ixpk= 3398, nxpk= 20, iat=1766,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 ALA  HN          111 GLU  HA          4.00    (#   3399:20        Unique  3.85, 3.91 A)
 &rst
  ixpk= 3399, nxpk= 20, iat=1785,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3400    11 GLU  HA          4.00    (#   3400:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3400, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 177, 237,
 &end
#
#   15 GLU  HB-          11 GLU  HA          4.80    (#   3401:20        Unique  4.20, 4.51 A)
 &rst
  ixpk= 3401, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 241, 242,
 &end
#
#   14 ILE  HN           11 GLU  HA          5.50    (#   3403:20        Unique  4.74, 5.00 A)
 &rst
  ixpk= 3403, nxpk= 20, iat= 218, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 CYS  HN           71 ASP  HA          5.10    (#   3404:20        Unique  2.82, 3.52 A)
 &rst
  ixpk= 3404, nxpk= 20, iat=1196,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#    4 VAL  MGX           2 ALA  HA          6.00    (#   3406:20        Unique  4.33, 6.68 A)
 &rst
  ixpk= 3406, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#    8 GLU  HA           11 GLU  HB-         4.00    (#   3407:20        Unique  2.63, 3.84 A)
 &rst
  ixpk= 3407, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 166, 167,
 &end
#
#   14 ILE  HA           18 ILE  QD1         4.00    (#   3408:20        Unique  2.63, 3.83 A)
 &rst
  ixpk= 3408, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:3409    29 ALA  HA          6.00    (#   3409:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3409, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 496, 489, 490,2002,2003,
 &end
#
#   63 VAL  MGX          62 THR  HA          5.00    (#   3411:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 3411, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   62 THR  HN           62 THR  HA          3.50    (#   3412:20        Unique  2.80, 2.82 A)
 &rst
  ixpk= 3412, nxpk= 20, iat=1029,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 GLY  HA+          85 ILE  HB          5.00    (#   3413:20        Unique  4.87, 4.97 A)
 &rst
  ixpk= 3413, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1388,1389,
 &end
#
#   55 THR  MG2          54 LYS  HB-         6.00    (#   3414:20        Unique  3.31, 5.13 A)
 &rst
  ixpk= 3414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 925, 926, 927,
 igr2= 901, 902,
 &end
#
#    3 SER  HN            3 SER  HA          4.00    (#   3416:20        Unique  2.79, 2.84 A)
 &rst
  ixpk= 3416, nxpk= 20, iat=  31,  33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 SER  HN            3 SER  HB-         4.00    (#   3417:20        Unique  2.75, 3.56 A)
 &rst
  ixpk= 3417, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  35,  36,
 &end
#
#   10 ARG  HB-           5 GLU  HA          6.50    (#   3420:20        Unique  2.40, 3.30 A)
 &rst
  ixpk= 3420, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 142, 143,
 &end
#
#    0 AMB  20-2:3421     0 AMB  20-1:3421   5.00    (#   3421:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 101, 102, 101, 102,
 igr2=  77,  78,  77,  78,
 &end
#
#    0 AMB  20-2:3422     6 ARG  HB-         6.00    (#   3422:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 101, 102, 101, 102,
 igr2=  77,  78,
 &end
#
#    6 ARG  HN            6 ARG  HD+         4.80    (#   3423:20        Unique  1.84, 3.39 A)
 &rst
  ixpk= 3423, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  83,  84,
 &end
#
#   23 GLU  HN           27 GLU  HA          6.60    (#   3424:20        Unique  5.55, 5.66 A)
 &rst
  ixpk= 3424, nxpk= 20, iat= 357, 423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   14 ILE  QG2          11 GLU  HA          4.00    (#   3427:20        Unique  2.99, 4.20 A)
 &rst
  ixpk= 3427, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 224, 225, 226,
 &end
#
#    9 THR  HN            8 GLU  HB+         4.50    (#   3428:20        Unique  3.41, 3.97 A)
 &rst
  ixpk= 3428, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 113, 114,
 &end
#
#    9 THR  HN            8 GLU  HB-         4.50    (#   3429:20        Unique  3.41, 3.97 A)
 &rst
  ixpk= 3429, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 113, 114,
 &end
#
#    0 AMB  20-2:3430     0 AMB  20-1:3430   3.00    (#   3430:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 116, 117, 166, 167,
 igr2= 113, 114, 113, 114,
 &end
#
#   13 ARG  HD+           9 THR  HA          4.60    (#   3432:20        Unique  2.23, 3.41 A)
 &rst
  ixpk= 3432, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 204, 205,
 &end
#
#    0 AMB  20-2:3436     9 THR  MG2         6.00    (#   3436:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 151, 207,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:3437     0 AMB  20-1:3437   3.80    (#   3437:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 126,1388,1389,
 igr2= 130, 131, 132,1035,1036,1037,
 &end
#
#    0 AMB  20-2:3438     0 AMB  20-1:3438   6.00    (#   3438:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 113, 114,1609,1610,
 igr2= 130, 131, 132,1035,1036,1037,
 &end
#
#   45 MET  HB+          62 THR  MG2         4.00    (#   3439:20        Unique  3.31, 5.21 A)
 &rst
  ixpk= 3439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 730, 731,
 igr2=1035,1036,1037,
 &end
#
#   13 ARG  HN           12 HIS  HA          4.20    (#   3443:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 3443, nxpk= 20, iat= 194, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   15 GLU  HB+          12 HIS  HA          4.20    (#   3444:20        Unique  2.48, 3.29 A)
 &rst
  ixpk= 3444, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 241, 242,
 &end
#
#   15 GLU  HB-          12 HIS  HA          3.00    (#   3445:20        Unique  2.48, 3.29 A)
 &rst
  ixpk= 3445, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   16 THR  MG2          12 HIS  HA          5.00    (#   3446:20        Unique  3.31, 4.36 A)
 &rst
  ixpk= 3446, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258, 259, 260,
 &end
#
#   15 GLU  HN           14 ILE  HA          4.00    (#   3449:20        Unique  3.48, 3.49 A)
 &rst
  ixpk= 3449, nxpk= 20, iat= 237, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HN           14 ILE  HA          5.50    (#   3450:20        Unique  4.61, 5.20 A)
 &rst
  ixpk= 3450, nxpk= 20, iat= 300, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ILE  HN           14 ILE  HA          4.00    (#   3451:20        Unique  2.90, 3.39 A)
 &rst
  ixpk= 3451, nxpk= 20, iat= 281, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  QD1          14 ILE  HA          5.00    (#   3453:20        Unique  3.89, 4.40 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#   18 ILE  QG2          14 ILE  HA          6.00    (#   3455:20        Unique  4.89, 5.80 A)
 &rst
  ixpk= 3455, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  QD1          14 ILE  HG1-        3.50    (#   3457:20        Unique  1.95, 3.08 A)
 &rst
  ixpk= 3457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 294, 295, 296,
 igr2= 228, 229,
 &end
#
#    0 AMB  20-2:3458    14 ILE  QD1         6.00    (#   3458:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1871,  58,1850,
 igr2= 231, 232, 233,
 &end
#
#   10 ARG  HA           14 ILE  QD1         6.00    (#   3460:20        Unique  2.52, 4.61 A)
 &rst
  ixpk= 3460, nxpk= 20, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 231, 232, 233,
 &end
#
#   14 ILE  HA           14 ILE  QD1         5.00    (#   3461:20        Unique  3.89, 4.40 A)
 &rst
  ixpk= 3461, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 231, 232, 233,
 &end
#
#   15 GLU  HA           14 ILE  QG2         4.00    (#   3465:20        Unique  3.10, 3.88 A)
 &rst
  ixpk= 3465, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   14 ILE  HA           14 ILE  QG2         4.00    (#   3467:20        Unique  2.75, 3.65 A)
 &rst
  ixpk= 3467, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   16 THR  HN           15 GLU  HA          4.00    (#   3471:20        Unique  3.54, 3.56 A)
 &rst
  ixpk= 3471, nxpk= 20, iat= 252, 239, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HG+          15 GLU  HB+         3.00    (#   3472:20        Unique  2.28, 2.72 A)
 &rst
  ixpk= 3472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 244, 245,
 igr2= 241, 242,
 &end
#
#   15 GLU  HG+          15 GLU  HB-         3.00    (#   3473:20        Unique  2.28, 2.72 A)
 &rst
  ixpk= 3473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 244, 245,
 igr2= 241, 242,
 &end
#
#   20 VAL  HA           16 THR  HA          4.00    (#   3474:20        Unique  1.87, 1.94 A)
 &rst
  ixpk= 3474, nxpk= 20, iat= 321, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 THR  HN           57 THR  HB          4.00    (#   3475:20        Unique  2.29, 2.65 A)
 &rst
  ixpk= 3475, nxpk= 20, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HN           16 THR  HB          5.00    (#   3476:20        Unique  4.51, 4.54 A)
 &rst
  ixpk= 3476, nxpk= 20, iat= 266, 256, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 THR  MG2          16 THR  HB          3.00    (#   3477:20        Unique  2.36, 2.64 A)
 &rst
  ixpk= 3477, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#    0 AMB  20-2:3478    16 THR  HB          6.50    (#   3478:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   23 GLU  HG+          23 GLU  HA          4.10    (#   3479:20        Unique  2.46, 3.11 A)
 &rst
  ixpk= 3479, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 364, 365,
 &end
#
#    0 AMB  20-2:3480    88 LYS  HA          4.00    (#   3480:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3480, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1426,1427,1359,1360,1450,1451,
 &end
#
#   40 LEU  HN           39 THR  HA          4.00    (#   3481:20        Unique  3.48, 3.55 A)
 &rst
  ixpk= 3481, nxpk= 20, iat= 638, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3483     0 AMB  20-1:3483   5.40    (#   3483:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 281, 568, 577,
 igr2= 291, 292, 291, 292,
 &end
#
#   18 ILE  HG1+         18 ILE  QG2         3.00    (#   3484:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 291, 292,
 igr2= 287, 288, 289,
 &end
#
#   34 TYR  HN           18 ILE  QG2         6.00    (#   3486:20        Unique  5.82, 6.77 A)
 &rst
  ixpk= 3486, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 287, 288, 289,
 &end
#
#    0 AMB  20-2:3488    18 ILE  QD1         6.00    (#   3488:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 218, 581,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:3490    18 ILE  QD1         6.00    (#   3490:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 222, 273, 274,
 igr2= 294, 295, 296,
 &end
#
#   14 ILE  QD1          18 ILE  QD1         5.00    (#   3491:20        Unique  2.14, 4.14 A)
 &rst
  ixpk= 3491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 231, 232, 233,
 igr2= 294, 295, 296,
 &end
#
#   19 ILE  QD1          19 ILE  HA          5.00    (#   3492:20        Unique  3.78, 4.60 A)
 &rst
  ixpk= 3492, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#    0 AMB  20-2:3493    19 ILE  HA          6.50    (#   3493:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3493, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   19 ILE  HA           19 ILE  QG2         3.00    (#   3497:20        Unique  2.03, 2.87 A)
 &rst
  ixpk= 3497, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HB+          19 ILE  QG2         5.00    (#   3499:20        Unique  3.67, 5.36 A)
 &rst
  ixpk= 3499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 498, 499,
 igr2= 306, 307, 308,
 &end
#
#   78 MET  ME           29 ALA  MB          3.00    (#   3501:20        Unique  1.96, 4.11 A)
 &rst
  ixpk= 3501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1271,1272,1273,
 igr2= 464, 465, 466,
 &end
#
#   30 MET  HN           29 ALA  MB          3.00    (#   3502:20        Unique  2.75, 3.57 A)
 &rst
  ixpk= 3502, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#   28 ARG  HA           19 ILE  QD1         5.50    (#   3503:20        Unique  3.64, 4.97 A)
 &rst
  ixpk= 3503, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 313, 314, 315,
 &end
#
#   18 ILE  QG2          19 ILE  QD1         5.50    (#   3504:20        Unique  2.08, 5.04 A)
 &rst
  ixpk= 3504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 287, 288, 289,
 igr2= 313, 314, 315,
 &end
#
#   22 ALA  HN           20 VAL  HB          5.50    (#   3505:20        Unique  3.45, 3.81 A)
 &rst
  ixpk= 3505, nxpk= 20, iat= 347, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 ARG  HD+          53 ARG  HB+         3.00    (#   3506:20        Unique  1.95, 3.09 A)
 &rst
  ixpk= 3506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 883, 884,
 igr2= 877, 878,
 &end
#
#   19 ILE  HN           20 VAL  MGY         7.00    (#   3509:20        Unique  3.64, 5.80 A)
 &rst
  ixpk= 3509, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   92 VAL  HA           92 VAL  MGY         3.00    (#   3510:20        Unique  2.13, 3.52 A)
 &rst
  ixpk= 3510, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   21 ASP  HB+          20 VAL  MGY         6.00    (#   3511:20        Unique  2.31, 5.54 A)
 &rst
  ixpk= 3511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 339, 340,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    0 AMB  20-2:3512    22 ALA  MB          6.60    (#   3512:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 460, 507,
 igr2= 351, 352, 353,
 &end
#
#   31 GLY  HA-          22 ALA  MB          5.60    (#   3514:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 3514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 489, 490,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:3516    22 ALA  MB          6.60    (#   3516:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 498, 499, 397, 398,
 igr2= 351, 352, 353,
 &end
#
#   32 TRP  HB-          22 ALA  MB          8.10    (#   3517:20        Unique  5.74, 7.85 A)
 &rst
  ixpk= 3517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.92, r4=11.42,
 igr1= 498, 499,
 igr2= 351, 352, 353,
 &end
#
#   25 LYS  HN           25 LYS  HA          3.50    (#   3523:20        Unique  2.73, 2.76 A)
 &rst
  ixpk= 3523, nxpk= 20, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ASP  HB-          25 LYS  HB+         5.50    (#   3525:20        Unique  4.78, 6.05 A)
 &rst
  ixpk= 3525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 376, 377,
 igr2= 388, 389,
 &end
#
#   26 GLU  HA           25 LYS  HG+         5.00    (#   3526:20        Unique  3.57, 4.62 A)
 &rst
  ixpk= 3526, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 391, 392,
 &end
#
#   26 GLU  HA           25 LYS  HG-         5.00    (#   3527:20        Unique  3.57, 4.62 A)
 &rst
  ixpk= 3527, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 391, 392,
 &end
#
#   29 ALA  HN           28 ARG  HA          4.00    (#   3528:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 3528, nxpk= 20, iat= 460, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HN           28 ARG  HA          4.20    (#   3529:20        Unique  3.61, 3.79 A)
 &rst
  ixpk= 3529, nxpk= 20, iat= 487, 438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   30 MET  ME           29 ALA  HA          5.50    (#   3530:20        Unique  3.99, 5.02 A)
 &rst
  ixpk= 3530, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 481, 482, 483,
 &end
#
#   36 LEU  HN           32 TRP  HA          4.50    (#   3533:20        Unique  3.73, 4.05 A)
 &rst
  ixpk= 3533, nxpk= 20, iat= 581, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3534    32 TRP  HA          6.00    (#   3534:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3534, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 590, 591, 592, 594, 595, 596,1267,1268,
 &end
#
#   18 ILE  QD1          32 TRP  HA          5.50    (#   3536:20        Unique  3.50, 4.86 A)
 &rst
  ixpk= 3536, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 294, 295, 296,
 &end
#
#   36 LEU  HB-          33 TYR  HA          3.00    (#   3539:20        Unique  1.89, 2.46 A)
 &rst
  ixpk= 3539, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 585, 586,
 &end
#
#    0 AMB  20-2:3548    35 TYR  HA          6.00    (#   3548:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3548, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   18 ILE  QG2          35 TYR  HA          6.00    (#   3549:20        Unique  5.24, 6.84 A)
 &rst
  ixpk= 3549, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  QG2          35 TYR  HB+         5.00    (#   3550:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 3550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 288, 289,
 igr2= 564, 565,
 &end
#
#    0 AMB  20-2:3551   117 LEU  HA          5.50    (#   3551:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3551, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   40 LEU  HN           36 LEU  HA          5.00    (#   3552:20        Unique  3.49, 3.92 A)
 &rst
  ixpk= 3552, nxpk= 20, iat= 638, 583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 LEU  MDX          36 LEU  HB-         3.80    (#   3553:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 3553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:3554    36 LEU  HG          4.00    (#   3554:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 585, 586,1760,1761,1762,
 &end
#
#   36 LEU  HA           36 LEU  HG          4.00    (#   3555:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 3555, nxpk= 20, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3556    36 LEU  MDX         6.00    (#   3556:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1807, 638,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   38 ASP  HN           37 ASP  HA          4.00    (#   3558:20        Unique  3.53, 3.55 A)
 &rst
  ixpk= 3558, nxpk= 20, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3561     0 AMB  20-1:3561   4.00    (#   3561:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 igr2= 602,1700,
 &end
#
#   37 ASP  HN           38 ASP  HB+         5.00    (#   3562:20        Unique  4.66, 4.95 A)
 &rst
  ixpk= 3562, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 616, 617,
 &end
#
#   39 THR  HB           39 THR  HA          4.00    (#   3565:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 3565, nxpk= 20, iat= 628, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 ASP  HB-          39 THR  HA          5.50    (#   3566:20        Unique  4.09, 4.96 A)
 &rst
  ixpk= 3566, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 616, 617,
 &end
#
#   36 LEU  HA           39 THR  HB          3.50    (#   3568:20        Unique  2.72, 3.09 A)
 &rst
  ixpk= 3568, nxpk= 20, iat= 583, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HA           39 THR  HB          3.50    (#   3569:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 3569, nxpk= 20, iat= 626, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HA           39 THR  MG2         3.00    (#   3571:20        Unique  2.44, 3.23 A)
 &rst
  ixpk= 3571, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 630, 631, 632,
 &end
#
#   78 MET  HB-          36 LEU  MDY         3.00    (#   3572:20        Unique  1.90, 3.85 A)
 &rst
  ixpk= 3572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1264,1265,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   41 GLU  HG+          40 LEU  HA          5.70    (#   3574:20        Unique  3.62, 5.04 A)
 &rst
  ixpk= 3574, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 664, 665,
 &end
#
#    0 AMB  20-2:3575    40 LEU  HA          5.80    (#   3575:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3575, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 661, 662,1662,
 &end
#
#   39 THR  HB           40 LEU  MDY         5.50    (#   3577:20        Unique  2.84, 4.99 A)
 &rst
  ixpk= 3577, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   68 MET  HG+          40 LEU  MDY         6.00    (#   3578:20        Unique  2.97, 8.48 A)
 &rst
  ixpk= 3578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1123,1124,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:3579    40 LEU  HG          6.00    (#   3579:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3579, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 710, 711, 628,
 &end
#
#  113 ILE  QD1          40 LEU  HG          4.60    (#   3581:20        Unique  2.36, 3.65 A)
 &rst
  ixpk= 3581, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1779,1780,1781,
 &end
#
#  109 THR  MG2          40 LEU  HG          4.00    (#   3582:20        Unique  1.97, 3.14 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   33 TYR  HB-          75 LEU  MDY         6.00    (#   3584:20        Unique  6.63, 9.21 A)
 &rst
  ixpk= 3584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 522, 523,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   41 GLU  HN           41 GLU  HA          3.70    (#   3587:20        Unique  2.29, 2.83 A)
 &rst
  ixpk= 3587, nxpk= 20, iat= 657, 659, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   40 LEU  HA           41 GLU  HA          5.20    (#   3588:20        Unique  4.32, 4.41 A)
 &rst
  ixpk= 3588, nxpk= 20, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   40 LEU  MDY          41 GLU  HA          7.00    (#   3589:20        Unique  6.05, 7.44 A)
 &rst
  ixpk= 3589, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   41 GLU  HG+          41 GLU  HB+         3.50    (#   3594:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 3594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 664, 665,
 igr2= 661, 662,
 &end
#
#   43 PRO  HA           42 PHE  HB+         4.20    (#   3595:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 3595, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 676, 677,
 &end
#
#   42 PHE  HA           42 PHE  HB+         3.00    (#   3596:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 3596, nxpk= 20, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 676, 677,
 &end
#
#   42 PHE  HA           42 PHE  HB-         3.00    (#   3597:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 3597, nxpk= 20, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 676, 677,
 &end
#
#   16 THR  HB           16 THR  HA          3.00    (#   3598:20        Unique  2.33, 2.35 A)
 &rst
  ixpk= 3598, nxpk= 20, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HN           41 GLU  HB+         5.20    (#   3599:20        Unique  4.05, 4.42 A)
 &rst
  ixpk= 3599, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 661, 662,
 &end
#
#    0 AMB  20-2:3600    44 PHE  HA          6.00    (#   3600:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3600, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 733, 734,1650,1651, 676, 677,
 &end
#
#    0 AMB  20-2:3608     0 AMB  20-1:3608   6.00    (#   3608:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1074, 772,
 igr2= 733, 734, 733, 734,
 &end
#
#   45 MET  ME           46 GLY  HA+         4.50    (#   3610:20        Unique  2.34, 3.92 A)
 &rst
  ixpk= 3610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739,
 igr2= 745, 746,
 &end
#
#   48 TRP  HB-          47 LYS  HA          5.00    (#   3611:20        Unique  4.38, 4.65 A)
 &rst
  ixpk= 3611, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#   45 MET  ME           47 LYS  HA          4.30    (#   3612:20        Unique  3.21, 3.75 A)
 &rst
  ixpk= 3612, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 737, 738, 739,
 &end
#
#   63 VAL  MGY          47 LYS  HA          6.00    (#   3613:20        Unique  3.96, 5.77 A)
 &rst
  ixpk= 3613, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3614    99 ASP  HA          6.10    (#   3614:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3614, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1= 971, 972, 973, 825, 826,
 &end
#
#   48 TRP  HE1          50 LYS  HE+         4.50    (#   3615:20        Unique  2.73, 4.02 A)
 &rst
  ixpk= 3615, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 831, 832,
 &end
#
#  100 ILE  HG1-         48 TRP  HA          3.50    (#   3616:20        Unique  1.84, 2.79 A)
 &rst
  ixpk= 3616, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1593,1594,
 &end
#
#    0 AMB  20-2:3617    48 TRP  HA          6.00    (#   3617:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3617, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 800, 801, 760, 761,
 &end
#
#   99 ASP  HB+          48 TRP  HA          6.00    (#   3618:20        Unique  4.09, 5.24 A)
 &rst
  ixpk= 3618, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   48 TRP  HE1          48 TRP  HA          5.50    (#   3619:20        Unique  4.74, 4.79 A)
 &rst
  ixpk= 3619, nxpk= 20, iat= 782, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 LYS  HN           48 TRP  HB-         4.00    (#   3620:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 3620, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   60 GLU  HA           49 LYS  HA          3.00    (#   3624:20        Unique  2.44, 2.69 A)
 &rst
  ixpk= 3624, nxpk= 20, iat= 994, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 LYS  HN           49 LYS  HB+         3.00    (#   3625:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 3625, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#    0 AMB  20-2:3626     0 AMB  20-1:3626   5.00    (#   3626:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1575,1576,1159,
 igr2= 800, 801,1150,1151,
 &end
#
#   49 LYS  HE+          49 LYS  HB-         4.50    (#   3627:20        Unique  2.01, 3.77 A)
 &rst
  ixpk= 3627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 809, 810,
 igr2= 800, 801,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.00    (#   3628:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 3628, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 803, 804,
 &end
#
#   49 LYS  HA           49 LYS  HG+         4.00    (#   3629:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 3629, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 803, 804,
 &end
#
#   50 LYS  HA           50 LYS  HD-         5.00    (#   3630:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 3630, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 828, 829,
 &end
#
#   61 LYS  HE+          50 LYS  HD+         5.00    (#   3631:20        Unique  2.56, 4.65 A)
 &rst
  ixpk= 3631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1020,1021,
 igr2= 828, 829,
 &end
#
#   61 LYS  HE+          50 LYS  HD-         5.00    (#   3632:20        Unique  2.56, 4.65 A)
 &rst
  ixpk= 3632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1020,1021,
 igr2= 828, 829,
 &end
#
#    5 GLU  HN            0 AMB  20-1:3642   6.50    (#   3642:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3642, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=  35,  36,  35,  36,
 &end
#
#   57 THR  HN           56 SER  HA          4.50    (#   3643:20        Unique  2.82, 3.16 A)
 &rst
  ixpk= 3643, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3644    56 SER  HA          6.50    (#   3644:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3644, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 925, 926, 927, 950, 951, 952,
 &end
#
#    0 AMB  20-2:3651    58 ILE  HB          4.40    (#   3651:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3651, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 946, 842,
 &end
#
#   50 LYS  HN           58 ILE  QD1         5.50    (#   3653:20        Unique  3.12, 4.83 A)
 &rst
  ixpk= 3653, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 971, 972, 973,
 &end
#
#    0 AMB  20-2:3654    58 ILE  QD1         6.00    (#   3654:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 820, 937, 938,
 igr2= 971, 972, 973,
 &end
#
#   59 GLU  HG-          59 GLU  HA          3.80    (#   3656:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 984, 985,
 &end
#
#   59 GLU  HG+          59 GLU  HA          3.00    (#   3657:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 3657, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 984, 985,
 &end
#
#   58 ILE  QG2          59 GLU  HA          5.00    (#   3658:20        Unique  3.72, 4.67 A)
 &rst
  ixpk= 3658, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 964, 965, 966,
 &end
#
#   49 LYS  HA           60 GLU  HA          3.00    (#   3660:20        Unique  2.44, 2.69 A)
 &rst
  ixpk= 3660, nxpk= 20, iat= 798, 994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3662    60 GLU  HA          5.00    (#   3662:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3662, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 800, 801, 760, 761,
 &end
#
#   62 THR  HB           62 THR  HA          3.50    (#   3667:20        Unique  2.96, 3.00 A)
 &rst
  ixpk= 3667, nxpk= 20, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HA           62 THR  MG2         5.50    (#   3674:20        Unique  5.10, 6.19 A)
 &rst
  ixpk= 3674, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:3675    62 THR  MG2         4.00    (#   3675:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1633,1634,1635,1373,1374,1375,
 igr2=1035,1036,1037,
 &end
#
#   85 ILE  HG1-         63 VAL  HA          3.50    (#   3676:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 3676, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1377,1378,
 &end
#
#    0 AMB  20-2:3677    63 VAL  HA          4.00    (#   3677:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3677, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1063,1064,1371,1011,1012,
 &end
#
#    0 AMB  20-2:3678    63 VAL  MGX         6.00    (#   3678:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1007,1090, 796,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   62 THR  HA           63 VAL  MGX         4.50    (#   3679:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 3679, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3680    63 VAL  MGX         5.00    (#   3680:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 745, 746, 752,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3683    63 VAL  MGX         4.00    (#   3683:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1593,1594,1377,1378,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3688     0 AMB  20-1:3688   4.00    (#   3688:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 803, 804,1349,1350,1351,
 igr2=1606,1607,1063,1064,
 &end
#
#    0 AMB  20-2:3689    64 GLU  HB-         5.00    (#   3689:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1349,1350,1351,1377,1378,
 igr2=1063,1064,
 &end
#
#   82 VAL  HA           65 VAL  HA          3.00    (#   3692:20        Unique  2.01, 2.51 A)
 &rst
  ixpk= 3692, nxpk= 20, iat=1331,1076, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HA           65 VAL  HB          3.50    (#   3695:20        Unique  2.27, 2.94 A)
 &rst
  ixpk= 3695, nxpk= 20, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HA+          65 VAL  MGX         6.50    (#   3696:20        Unique  3.70, 6.96 A)
 &rst
  ixpk= 3696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 745, 746,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   97 LEU  MDX          65 VAL  MGX         4.40    (#   3697:20        Unique  3.88, 6.77 A)
 &rst
  ixpk= 3697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1=1550,1551,1552,1554,1555,1556,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:3698    65 VAL  MGY         6.00    (#   3698:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1111,1112, 745, 746,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HA           65 VAL  MGY         6.00    (#   3699:20        Unique  4.10, 5.89 A)
 &rst
  ixpk= 3699, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HB           65 VAL  MGY         6.00    (#   3700:20        Unique  3.03, 5.35 A)
 &rst
  ixpk= 3700, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  MGY          65 VAL  MGY         3.00    (#   3702:20        Unique  1.87, 4.27 A)
 &rst
  ixpk= 3702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  HB           65 VAL  MGY         3.00    (#   3703:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3703, nxpk= 20, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  MGY          95 ALA  MB          4.00    (#   3705:20        Unique  4.85, 7.51 A)
 &rst
  ixpk= 3705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:3706   109 THR  MG2         3.00    (#   3706:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
 igr2=1716,1717,1718,
 &end
#
#   43 PRO  HA           66 LEU  HA          4.00    (#   3707:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 3707, nxpk= 20, iat= 702,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 LEU  HN           66 LEU  HB-         3.50    (#   3708:20        Unique  2.22, 2.96 A)
 &rst
  ixpk= 3708, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   81 GLU  HB+          66 LEU  HB-         4.00    (#   3709:20        Unique  2.11, 3.49 A)
 &rst
  ixpk= 3709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1094,1095,
 &end
#
#   81 GLU  HB+          66 LEU  HB+         3.00    (#   3710:20        Unique  2.11, 3.49 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1318,1319,
 igr2=1094,1095,
 &end
#
#   66 LEU  HB+          66 LEU  MDX         3.00    (#   3712:20        Unique  2.06, 3.37 A)
 &rst
  ixpk= 3712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1094,1095,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   64 GLU  HB-          66 LEU  MDX         4.00    (#   3713:20        Unique  3.35, 5.97 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1063,1064,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#    0 AMB  20-2:3716    69 ALA  MB          4.00    (#   3716:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1127,1128,1129,1150,1151,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:3717    70 PRO  HA          4.50    (#   3717:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3717, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1169,1133,
 &end
#
#   70 PRO  HD+          70 PRO  HA          4.50    (#   3718:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 3718, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
#   71 ASP  HA           70 PRO  HA          5.00    (#   3719:20        Unique  4.30, 4.31 A)
 &rst
  ixpk= 3719, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 GLU  HN           71 ASP  HA          4.60    (#   3720:20        Unique  3.30, 3.41 A)
 &rst
  ixpk= 3720, nxpk= 20, iat=1181,1159, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   74 CYS  HB+          71 ASP  HA          5.60    (#   3722:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 3722, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1200,1201,
 &end
#
#   73 GLU  HN           72 ASP  HA          4.10    (#   3723:20        Unique  2.82, 3.03 A)
 &rst
  ixpk= 3723, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   75 LEU  MDX          72 ASP  HA          4.00    (#   3724:20        Unique  2.81, 4.44 A)
 &rst
  ixpk= 3724, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  MDY          72 ASP  HA          3.00    (#   3725:20        Unique  2.81, 4.44 A)
 &rst
  ixpk= 3725, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HG           72 ASP  HA          4.60    (#   3726:20        Unique  3.44, 3.85 A)
 &rst
  ixpk= 3726, nxpk= 20, iat=1214,1171, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  20-2:3727    51 LYS  HA          3.00    (#   3727:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3727, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 844, 845, 850, 851,
 &end
#
#    0 AMB  20-2:3728    74 CYS  HA          6.60    (#   3728:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3728, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
 igr1=1127,1128,1129,1236,1237,
 &end
#
#    0 AMB  20-2:3729    74 CYS  HA          5.60    (#   3729:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3729, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1214, 481, 482, 483,
 &end
#
#    0 AMB  20-2:3731     0 AMB  20-1:3731   6.00    (#   3731:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 111, 126,
 igr2= 181, 182, 181, 182,
 &end
#
#    9 THR  HA           12 HIS  HB-         5.00    (#   3732:20        Unique  4.30, 5.31 A)
 &rst
  ixpk= 3732, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 181, 182,
 &end
#
#    0 AMB  20-2:3733   126 PHE  HB-         6.00    (#   3733:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1980,1981,1211,1212,
 igr2=2002,2003,
 &end
#
#   44 PHE  HA           45 MET  HB-         5.50    (#   3734:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 3734, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 730, 731,
 &end
#
#  121 ALA  MB          121 ALA  HA          3.00    (#   3737:20        Unique  2.31, 2.63 A)
 &rst
  ixpk= 3737, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#    0 AMB  20-2:3740   126 PHE  HB-         6.00    (#   3740:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1980,1981,1986,1987,
 igr2=2002,2003,
 &end
#
#    0 AMB  20-2:3741   126 PHE  HB-         7.00    (#   3741:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1=1959,1960, 464, 465, 466,
 igr2=2002,2003,
 &end
#
#   13 ARG  HG-          10 ARG  HA          4.80    (#   3742:20        Unique  3.92, 4.63 A)
 &rst
  ixpk= 3742, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 201, 202,
 &end
#
#   41 GLU  HN          109 THR  MG2         4.00    (#   3746:20        Unique  1.98, 3.56 A)
 &rst
  ixpk= 3746, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  110 GLN  HN          109 THR  MG2         4.00    (#   3747:20        Unique  2.57, 3.68 A)
 &rst
  ixpk= 3747, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HN          109 THR  MG2         4.00    (#   3748:20        Unique  4.32, 4.51 A)
 &rst
  ixpk= 3748, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HB          109 THR  MG2         4.00    (#   3749:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 3749, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HA          109 THR  MG2         3.00    (#   3750:20        Unique  2.47, 3.20 A)
 &rst
  ixpk= 3750, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#   40 LEU  MDX         109 THR  MG2         4.00    (#   3751:20        Unique  1.93, 5.04 A)
 &rst
  ixpk= 3751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1716,1717,1718,
 &end
#
#    0 AMB  20-2:3752   109 THR  MG2         4.00    (#   3752:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 642, 643,1760,1761,1762,
 igr2=1716,1717,1718,
 &end
#
#   33 TYR  HA           33 TYR  HB+         3.00    (#   3753:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 3753, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   63 VAL  MGY          83 ALA  HA          6.00    (#   3756:20        Unique  3.20, 5.91 A)
 &rst
  ixpk= 3756, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3757    85 ILE  HB          5.00    (#   3757:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3757, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1386,1059,1345,
 &end
#
#   50 LYS  HB-          50 LYS  HE+         4.40    (#   3758:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 3758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 822, 823,
 igr2= 831, 832,
 &end
#
#   14 ILE  HG1-         18 ILE  QD1         3.50    (#   3762:20        Unique  1.95, 3.08 A)
 &rst
  ixpk= 3762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 228, 229,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:3763    32 TRP  HA          4.50    (#   3763:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3763, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 581, 539,
 &end
#
#   35 TYR  HD+          32 TRP  HA          6.00    (#   3765:20        Unique  1.71, 4.59 A)
 &rst
  ixpk= 3765, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 577,
 &end
#
#   19 ILE  HB           19 ILE  QG2         3.00    (#   3769:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 3769, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   19 ILE  HG1+         19 ILE  QD1         3.00    (#   3771:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 3771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 310, 311,
 igr2= 313, 314, 315,
 &end
#
#   18 ILE  HB           18 ILE  HG1+        3.00    (#   3772:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 3772, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 291, 292,
 &end
#
#   62 THR  HA          103 ILE  QD1         6.00    (#   3777:20        Unique  4.08, 5.51 A)
 &rst
  ixpk= 3777, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1640,1641,1642,
 &end
#
#   62 THR  HB           85 ILE  QD1         4.00    (#   3778:20        Unique  3.19, 4.26 A)
 &rst
  ixpk= 3778, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HG+          45 MET  HA          4.00    (#   3781:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 3781, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#   50 LYS  HG+          50 LYS  HA          3.00    (#   3782:20        Unique  2.20, 2.86 A)
 &rst
  ixpk= 3782, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 825, 826,
 &end
#
#   51 LYS  HA           58 ILE  HG1-        4.00    (#   3784:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 3784, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   51 LYS  HA           58 ILE  HG1+        4.50    (#   3785:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 3785, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 968, 969,
 &end
#
#   15 GLU  HA           15 GLU  HG-         3.00    (#   3787:20        Unique  2.80, 3.30 A)
 &rst
  ixpk= 3787, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 244, 245,
 &end
#
#   54 LYS  HA           54 LYS  HG-         3.80    (#   3788:20        Unique  2.40, 3.22 A)
 &rst
  ixpk= 3788, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 904, 905,
 &end
#
#   36 LEU  MDY          36 LEU  HB-         3.00    (#   3791:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#   36 LEU  HN           36 LEU  HB-         3.50    (#   3792:20        Unique  2.07, 2.54 A)
 &rst
  ixpk= 3792, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   36 LEU  HB-          36 LEU  HG          3.50    (#   3793:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 3793, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#  119 TRP  HD+         120 LEU  MDY         6.00    (#   3795:20        Unique  3.91, 5.44 A)
 &rst
  ixpk= 3795, nxpk= 20, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   68 MET  HA           80 VAL  MGY         3.00    (#   3796:20        Unique  2.04, 4.20 A)
 &rst
  ixpk= 3796, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    1 MET  HG+           2 ALA  MB          6.00    (#   3800:20        Unique  4.34, 5.65 A)
 &rst
  ixpk= 3800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  11,  12,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:3802     0 AMB  20-1:3802   4.40    (#   3802:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 421, 487,
 igr2= 413, 414, 304,
 &end
#
#  102 ALA  MB          113 ILE  QD1         3.00    (#   3805:20        Unique  1.99, 3.47 A)
 &rst
  ixpk= 3805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1621,1622,1623,
 igr2=1779,1780,1781,
 &end
#
#   30 MET  HN           30 MET  HA          4.00    (#   3806:20        Unique  2.79, 2.80 A)
 &rst
  ixpk= 3806, nxpk= 20, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3807     0 AMB  20-1:3807   5.00    (#   3807:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 518, 600,
 igr2= 472, 614,
 &end
#
#    0 AMB  20-2:3808     0 AMB  20-1:3808   6.00    (#   3808:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
 igr2= 474, 475, 474, 475,
 &end
#
#   31 GLY  HA+          34 TYR  HB+         5.00    (#   3812:20        Unique  2.58, 4.22 A)
 &rst
  ixpk= 3812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 489, 490,
 igr2= 543, 544,
 &end
#
#   37 ASP  HA           37 ASP  HB-         3.00    (#   3813:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 3813, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#  113 ILE  QD1         113 ILE  HA          4.00    (#   3814:20        Unique  3.76, 4.49 A)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#   43 PRO  HD-          43 PRO  HB+         4.50    (#   3815:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   43 PRO  HD-          43 PRO  HB-         4.50    (#   3816:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HB+         4.00    (#   3817:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 3817, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HB-         4.00    (#   3818:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 3818, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#   44 PHE  HN           43 PRO  HG+         5.50    (#   3819:20        Unique  4.56, 4.98 A)
 &rst
  ixpk= 3819, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
#   43 PRO  HA           43 PRO  HD+         4.50    (#   3820:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 3820, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 693, 694,
 &end
#
#  105 VAL  MGY          44 PHE  HB-         4.00    (#   3821:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 3821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 710, 711,
 &end
#
#    0 AMB  20-2:3822    45 MET  HB-         6.00    (#   3822:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1035,1036,1037,1377,1378,
 igr2= 730, 731,
 &end
#
#   44 PHE  HB-          45 MET  HG+         6.50    (#   3823:20        Unique  5.25, 6.48 A)
 &rst
  ixpk= 3823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 710, 711,
 igr2= 733, 734,
 &end
#
#   46 GLY  HA+          45 MET  HG+         5.50    (#   3824:20        Unique  3.03, 4.70 A)
 &rst
  ixpk= 3824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 745, 746,
 igr2= 733, 734,
 &end
#
#   62 THR  HA           47 LYS  HA          3.50    (#   3825:20        Unique  2.68, 2.82 A)
 &rst
  ixpk= 3825, nxpk= 20, iat=1031, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 LYS  HG+          47 LYS  HB+         3.00    (#   3826:20        Unique  2.30, 2.56 A)
 &rst
  ixpk= 3826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#  101 GLU  HN           48 TRP  HA          4.00    (#   3827:20        Unique  3.28, 3.44 A)
 &rst
  ixpk= 3827, nxpk= 20, iat=1602, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3828     0 AMB  20-1:3828   3.50    (#   3828:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 791, 780,
 igr2= 776, 777, 776, 777,
 &end
#
#    0 AMB  20-2:3829    48 TRP  HB-         3.50    (#   3829:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 791, 780,
 igr2= 776, 777,
 &end
#
#    0 AMB  20-2:3830    48 TRP  HB-         4.00    (#   3830:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 780, 789,
 igr2= 776, 777,
 &end
#
#    0 AMB  20-2:3831     0 AMB  20-1:3831   4.00    (#   3831:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 780, 789,
 igr2= 776, 777, 776, 777,
 &end
#
#    0 AMB  20-2:3832    49 LYS  HG-         5.00    (#   3832:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1573, 752,
 igr2= 803, 804,
 &end
#
#   50 LYS  HG+          50 LYS  HD+         3.00    (#   3833:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 3833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 825, 826,
 igr2= 828, 829,
 &end
#
#   50 LYS  HG+          50 LYS  HD-         3.00    (#   3834:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 3834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 825, 826,
 igr2= 828, 829,
 &end
#
#   49 LYS  HA           50 LYS  HB+         5.00    (#   3835:20        Unique  4.51, 4.75 A)
 &rst
  ixpk= 3835, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 822, 823,
 &end
#
#    0 AMB  20-2:3836     0 AMB  20-1:3836   8.00    (#   3836:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 935, 946,
 igr2= 822, 823, 822, 823,
 &end
#
#   49 LYS  HA           60 GLU  HG+         4.00    (#   3837:20        Unique  3.14, 3.68 A)
 &rst
  ixpk= 3837, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 999,1000,
 &end
#
#   49 LYS  HA           60 GLU  HG-         4.70    (#   3838:20        Unique  3.14, 3.68 A)
 &rst
  ixpk= 3838, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:3839    61 LYS  HB-         5.50    (#   3839:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 780,1482,1491, 789,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:3840     0 AMB  20-1:3840   5.50    (#   3840:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 780,1482,1491, 789,
 igr2=1011,1012,1011,1012,1011,1012,
 &end
#
#   48 TRP  HB+          61 LYS  HD+         5.50    (#   3841:20        Unique  3.93, 5.07 A)
 &rst
  ixpk= 3841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 776, 777,
 igr2=1017,1018,
 &end
#
#   82 VAL  MGX          63 VAL  HB          4.00    (#   3845:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 3845, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:3846    63 VAL  MGX         6.00    (#   3846:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1482,1491, 789,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   93 TYR  HA           94 THR  MG2         6.00    (#   3847:20        Unique  5.56, 6.25 A)
 &rst
  ixpk= 3847, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:3848     0 AMB  20-1:3848   3.00    (#   3848:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1090, 518,
 igr2=1076, 520,
 &end
#
#   34 TYR  HN           33 TYR  HA          4.00    (#   3849:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 3849, nxpk= 20, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3850     0 AMB  20-1:3850   6.00    (#   3850:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
 igr1=1460,1758, 674,
 igr2=1099,1100,1101,1103,1104,1105, 291, 292,1097,
 &end
#
#   81 GLU  HN            0 AMB  20-1:3851   6.00    (#   3851:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3851, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   81 GLU  HA            0 AMB  20-1:3853   6.00    (#   3853:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3853, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   42 PHE  HD-          67 GLY  HA-         4.40    (#   3855:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 3855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 680, 688,
 igr2=1111,1112,
 &end
#
#   80 VAL  HA           69 ALA  HA          5.00    (#   3856:20        Unique  3.67, 4.54 A)
 &rst
  ixpk= 3856, nxpk= 20, iat=1300,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 GLU  HB-          69 ALA  HA          5.50    (#   3857:20        Unique  3.74, 4.90 A)
 &rst
  ixpk= 3857, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1318,1319,
 &end
#
#   79 TYR  HE           69 ALA  MB          6.00    (#   3858:20        Unique  1.93, 6.47 A)
 &rst
  ixpk= 3858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1287,1292,
 igr2=1137,1138,1139,
 &end
#
#   79 TYR  HA           69 ALA  MB          6.00    (#   3859:20        Unique  4.18, 6.50 A)
 &rst
  ixpk= 3859, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1137,1138,1139,
 &end
#
#   33 TYR  HB-          75 LEU  MDX         6.00    (#   3861:20        Unique  6.63, 9.21 A)
 &rst
  ixpk= 3861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 522, 523,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   73 GLU  HG-          75 LEU  MDX         7.60    (#   3862:20        Unique  6.03, 8.20 A)
 &rst
  ixpk= 3862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.50, r4=12.00,
 igr1=1188,1189,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   30 MET  HB+          75 LEU  MDY         7.00    (#   3864:20        Unique  6.42, 8.63 A)
 &rst
  ixpk= 3864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 474, 475,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           76 LYS  HB-         5.50    (#   3865:20        Unique  4.05, 5.13 A)
 &rst
  ixpk= 3865, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1230,1231,
 &end
#
#   77 ASP  HN           78 MET  ME          6.00    (#   3866:20        Unique  4.11, 5.26 A)
 &rst
  ixpk= 3866, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1271,1272,1273,
 &end
#
#   80 VAL  MGX          80 VAL  HA          4.00    (#   3867:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 3867, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HN           81 GLU  HB-         4.50    (#   3868:20        Unique  3.60, 4.13 A)
 &rst
  ixpk= 3868, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:3870     0 AMB  20-1:3870   4.00    (#   3870:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1321,1322,1321,1322,
 &end
#
#    0 AMB  20-2:3871    82 VAL  MGY         6.00    (#   3871:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1482,1491, 789,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   66 LEU  HN           83 ALA  MB          6.00    (#   3872:20        Unique  5.45, 7.04 A)
 &rst
  ixpk= 3872, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1349,1350,1351,
 &end
#
#   84 ASP  HB+          84 ASP  HA          3.00    (#   3873:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3873, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#    0 AMB  20-2:3875    84 ASP  HB-         5.00    (#   3875:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1407,1408,1349,1350,1351,
 igr2=1359,1360,
 &end
#
#   85 ILE  HB           85 ILE  HG1+        3.00    (#   3876:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 3876, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   83 ALA  MB           92 VAL  MGX         3.00    (#   3877:20        Unique  1.92, 5.30 A)
 &rst
  ixpk= 3877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1349,1350,1351,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   81 GLU  HB+          92 VAL  MGX         4.00    (#   3878:20        Unique  2.40, 5.63 A)
 &rst
  ixpk= 3878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1318,1319,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   81 GLU  HB-          94 THR  MG2         5.00    (#   3880:20        Unique  4.13, 5.36 A)
 &rst
  ixpk= 3880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1318,1319,
 igr2=1501,1502,1503,
 &end
#
#   48 TRP  HD-           0 AMB  20-1:3881   5.50    (#   3881:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3881, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1573, 752,
 &end
#
#    0 AMB  20-2:3882     0 AMB  20-1:3882   5.50    (#   3882:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 780, 791, 780,
 igr2=1573, 752,
 &end
#
#  100 ILE  HG1-        100 ILE  QG2         4.00    (#   3883:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 3883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1593,1594,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HD+         103 ILE  QG2         6.00    (#   3885:20        Unique  5.98, 9.14 A)
 &rst
  ixpk= 3885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 714, 722,
 igr2=1633,1634,1635,
 &end
#
#  102 ALA  HA          103 ILE  QG2         6.00    (#   3886:20        Unique  5.85, 6.50 A)
 &rst
  ixpk= 3886, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1633,1634,1635,
 &end
#
#   46 GLY  HA+         103 ILE  QG2         6.00    (#   3887:20        Unique  4.65, 6.32 A)
 &rst
  ixpk= 3887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 745, 746,
 igr2=1633,1634,1635,
 &end
#
#   45 MET  HB-         103 ILE  QG2         5.00    (#   3888:20        Unique  4.23, 5.59 A)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 730, 731,
 igr2=1633,1634,1635,
 &end
#
#  105 VAL  MGX         105 VAL  HB          3.00    (#   3889:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 3889, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HN          109 THR  HA          4.00    (#   3890:20        Unique  2.77, 2.79 A)
 &rst
  ixpk= 3890, nxpk= 20, iat=1710,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3891   109 THR  HA          5.00    (#   3891:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3891, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 657,1756,
 &end
#
#    0 AMB  20-2:3892   110 GLN  HA          5.50    (#   3892:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,
 &end
#
#   35 TYR  HD+         112 ALA  HA          6.00    (#   3893:20        Unique  5.30, 8.83 A)
 &rst
  ixpk= 3893, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 577,
 &end
#
#  115 ASP  HN          117 LEU  MDX         5.00    (#   3895:20        Unique  4.89, 7.15 A)
 &rst
  ixpk= 3895, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  119 TRP  HE1         120 LEU  HA          4.50    (#   3896:20        Unique  3.51, 3.80 A)
 &rst
  ixpk= 3896, nxpk= 20, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HB+          23 GLU  HA          3.60    (#   3897:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 3897, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 361, 362,
 &end
#
#   81 GLU  HB+          92 VAL  MGY         3.00    (#   3902:20        Unique  2.40, 5.63 A)
 &rst
  ixpk= 3902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1318,1319,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  126 PHE  HN          120 LEU  MDY         7.00    (#   3903:20        Unique  5.36, 8.42 A)
 &rst
  ixpk= 3903, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  125 LYS  HN          120 LEU  MDY         6.50    (#   3904:20        Unique  4.77, 7.36 A)
 &rst
  ixpk= 3904, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  126 PHE  HN          120 LEU  MDX         6.00    (#   3905:20        Unique  5.36, 8.42 A)
 &rst
  ixpk= 3905, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  125 LYS  HN          120 LEU  MDX         5.20    (#   3906:20        Unique  4.77, 7.36 A)
 &rst
  ixpk= 3906, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   58 ILE  HG1+         57 THR  HA          5.00    (#   3907:20        Unique  4.27, 4.94 A)
 &rst
  ixpk= 3907, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#   66 LEU  HB+          66 LEU  HA          3.50    (#   3908:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 3908, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#    0 AMB  20-2:3909     0 AMB  20-1:3909   5.00    (#   3909:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1664,1665,1666,1668,1669,1670, 590, 591, 592, 594,
       595, 596,
 igr2=1650,1651, 676, 677,
 &end
#
#    0 AMB  20-2:3910     0 AMB  20-1:3910   5.00    (#   3910:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 960, 875, 254,
 igr2= 981, 982, 981, 982, 270, 271,
 &end
#
#   58 ILE  HA           59 GLU  HB-         6.00    (#   3911:20        Unique  4.25, 4.99 A)
 &rst
  ixpk= 3911, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 981, 982,
 &end
#
#    0 AMB  20-2:3913     0 AMB  20-1:3913   4.00    (#   3913:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 791,1482,1491,
 igr2=1020,1021,1020,1021,
 &end
#
#    0 AMB  20-2:3914    61 LYS  HE-         6.00    (#   3914:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 791,1482,1491,
 igr2=1020,1021,
 &end
#
#   44 PHE  HE-          40 LEU  HB-         6.00    (#   3915:20        Unique  2.48, 5.45 A)
 &rst
  ixpk= 3915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 716, 720,
 igr2= 642, 643,
 &end
#
#    2 ALA  HA          122 ARG  HA          6.00    (#   3917:20        Unique  4.12, 4.64 A)
 &rst
  ixpk= 3917, nxpk= 20, iat=  23,1926, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 TRP  HZ2          18 ILE  QD1         7.20    (#   3918:20        Unique  2.99, 4.46 A)
 &rst
  ixpk= 3918, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  QG2          14 ILE  QD1         6.00    (#   3919:20        Unique  4.17, 6.79 A)
 &rst
  ixpk= 3919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 287, 288, 289,
 igr2= 231, 232, 233,
 &end
#
#   35 TYR  HE-          18 ILE  QG2         6.00    (#   3920:20        Unique  2.52, 5.78 A)
 &rst
  ixpk= 3920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 570, 575,
 igr2= 287, 288, 289,
 &end
#
#   76 LYS  HB-          76 LYS  HA          3.00    (#   3921:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 3921, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1230,1231,
 &end
#
#   58 ILE  QG2          58 ILE  HG1+        3.00    (#   3922:20        Unique  2.52, 3.61 A)
 &rst
  ixpk= 3922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 964, 965, 966,
 igr2= 968, 969,
 &end
#
#   58 ILE  QD1          58 ILE  HG1-        3.00    (#   3923:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 3923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 971, 972, 973,
 igr2= 968, 969,
 &end
#
#    4 VAL  MGX           3 SER  HA          4.80    (#   3924:20        Unique  4.13, 6.01 A)
 &rst
  ixpk= 3924, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   32 TRP  HB-          78 MET  ME          3.00    (#   3925:20        Unique  1.94, 3.52 A)
 &rst
  ixpk= 3925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 498, 499,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:3926    74 CYS  HA          6.60    (#   3926:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3926, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1233,1234,1211,1212,
 &end
#
#   40 LEU  HN           38 ASP  HB+         6.00    (#   3927:20        Unique  4.95, 5.64 A)
 &rst
  ixpk= 3927, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 616, 617,
 &end
#
#   43 PRO  HA           66 LEU  MDX         6.00    (#   3928:20        Unique  4.39, 6.69 A)
 &rst
  ixpk= 3928, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#    0 AMB  20-2:3929   126 PHE  HB-         5.00    (#   3929:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 386,   6,
 igr2=2002,2003,
 &end
#
#    0 AMB  20-2:3932     9 THR  HA          7.00    (#   3932:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3932, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  65,  66, 101, 102, 166, 167,
 &end
#
#   14 ILE  HN           15 GLU  HB+         6.00    (#   3934:20        Unique  4.79, 5.34 A)
 &rst
  ixpk= 3934, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 241, 242,
 &end
#
#   14 ILE  HN           15 GLU  HB-         5.00    (#   3935:20        Unique  4.79, 5.34 A)
 &rst
  ixpk= 3935, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 241, 242,
 &end
#
#  110 GLN  HA          102 ALA  MB          4.00    (#   3936:20        Unique  2.45, 3.20 A)
 &rst
  ixpk= 3936, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1621,1622,1623,
 &end
#
#   17 GLU  HB+          18 ILE  QD1         5.00    (#   3939:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 3939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 270, 271,
 igr2= 294, 295, 296,
 &end
#
#   97 LEU  HN           97 LEU  MDX         4.00    (#   3942:20        Unique  1.86, 3.39 A)
 &rst
  ixpk= 3942, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   48 TRP  HD-          48 TRP  HA          3.50    (#   3943:20        Unique  2.56, 2.74 A)
 &rst
  ixpk= 3943, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HN          100 ILE  HA          4.00    (#   3945:20        Unique  2.30, 2.53 A)
 &rst
  ixpk= 3945, nxpk= 20, iat= 796,1585, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
# 2017 atoms read from pdb file prm1.pdb.
# 10 ARG PHI:  (9 THR C)-(10 ARG N)-(10 ARG CA)-(10 ARG C) -93.8 -33.8
 &rst     iat =   135,   137,   139,   159,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
   rk2 =   50.0, rk3 =   50.0,    &end

# 10 ARG PSI:  (10 ARG N)-(10 ARG CA)-(10 ARG C)-(11 GLU N) -71.7 -11.7
 &rst     iat =   137,   139,   159,   161,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 11 GLU PHI:  (10 ARG C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -95.0 -35.0
 &rst     iat =   159,   161,   163,   174,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 HIS N) -69.0  -9.0
 &rst     iat =   161,   163,   174,   176,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 12 HIS PHI:  (11 GLU C)-(12 HIS N)-(12 HIS CA)-(12 HIS C) -92.0 -32.0
 &rst     iat =   174,   176,   178,   191,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 12 HIS PSI:  (12 HIS N)-(12 HIS CA)-(12 HIS C)-(13 ARG N) -69.0  -9.0
 &rst     iat =   176,   178,   191,   193,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 13 ARG PHI:  (12 HIS C)-(13 ARG N)-(13 ARG CA)-(13 ARG C) -98.0 -38.0
 &rst     iat =   191,   193,   195,   215,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 13 ARG PSI:  (13 ARG N)-(13 ARG CA)-(13 ARG C)-(14 ILE N) -72.0 -12.0
 &rst     iat =   193,   195,   215,   217,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 14 ILE PHI:  (13 ARG C)-(14 ILE N)-(14 ILE CA)-(14 ILE C) -95.0 -35.0
 &rst     iat =   215,   217,   219,   234,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 GLU N) -74.0 -14.0
 &rst     iat =   217,   219,   234,   236,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 15 GLU PHI:  (14 ILE C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -93.0 -33.0
 &rst     iat =   234,   236,   238,   249,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 THR N) -66.0  -6.0
 &rst     iat =   236,   238,   249,   251,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 18 ILE PHI:  (17 GLU C)-(18 ILE N)-(18 ILE CA)-(18 ILE C) -99.0 -39.0
 &rst     iat =   278,   280,   282,   297,
   r1 = -130.0, r2 = -129.0, r3 = -39.0, r4 = -38.0,
 &end

# 18 ILE PSI:  (18 ILE N)-(18 ILE CA)-(18 ILE C)-(19 ILE N) -64.0  -4.0
 &rst     iat =   280,   282,   297,   299,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end

# 19 ILE PHI:  (18 ILE C)-(19 ILE N)-(19 ILE CA)-(19 ILE C) -120.0 -60.0
 &rst     iat =   297,   299,   301,   316,
   r1 = -151.0, r2 = -150.0, r3 = -60.0, r4 = -59.0,
 &end

# 19 ILE PSI:  (19 ILE N)-(19 ILE CA)-(19 ILE C)-(20 VAL N) -44.0  16.0
 &rst     iat =   299,   301,   316,   318,
   r1 = -45.0, r2 = -44.0, r3 =  46.0, r4 =  47.0,
 &end

# 21 ASP PHI:  (20 VAL C)-(21 ASP N)-(21 ASP CA)-(21 ASP C) -108.0 -48.0
 &rst     iat =   332,   334,   336,   344,
   r1 = -139.0, r2 = -138.0, r3 = -48.0, r4 = -47.0,
 &end

# 21 ASP PSI:  (21 ASP N)-(21 ASP CA)-(21 ASP C)-(22 ALA N) -58.0   2.0
 &rst     iat =   334,   336,   344,   346,
   r1 = -59.0, r2 = -58.0, r3 =   2.0, r4 =   3.0,
 &end

# 24 ASP PHI:  (23 GLU C)-(24 ASP N)-(24 ASP CA)-(24 ASP C) -143.0 -83.0
 &rst     iat =   369,   371,   373,   381,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end

# 24 ASP PSI:  (24 ASP N)-(24 ASP CA)-(24 ASP C)-(25 LYS N) 118.0 178.0
 &rst     iat =   371,   373,   381,   383,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end

# 25 LYS PHI:  (24 ASP C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -95.0 -35.0
 &rst     iat =   381,   383,   385,   403,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 GLU N) -62.0  -2.0
 &rst     iat =   383,   385,   403,   405,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end

# 26 GLU PHI:  (25 LYS C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) -99.0 -39.0
 &rst     iat =   403,   405,   407,   418,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 GLU N) -69.0  -9.0
 &rst     iat =   405,   407,   418,   420,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 27 GLU PHI:  (26 GLU C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -95.0 -35.0
 &rst     iat =   418,   420,   422,   433,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 ARG N) -70.0 -10.0
 &rst     iat =   420,   422,   433,   435,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 28 ARG PHI:  (27 GLU C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -96.0 -36.0
 &rst     iat =   433,   435,   437,   457,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 28 ARG PSI:  (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 ALA N) -70.0 -10.0
 &rst     iat =   435,   437,   457,   459,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 29 ALA PHI:  (28 ARG C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -92.0 -32.0
 &rst     iat =   457,   459,   461,   467,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 MET N) -70.0 -10.0
 &rst     iat =   459,   461,   467,   469,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 30 MET PHI:  (29 ALA C)-(30 MET N)-(30 MET CA)-(30 MET C) -104.0 -44.0
 &rst     iat =   467,   469,   471,   484,
   r1 = -105.0, r2 = -104.0, r3 = -44.0, r4 = -43.0,
 &end

# 30 MET PSI:  (30 MET N)-(30 MET CA)-(30 MET C)-(31 GLY N) -52.0   8.0
 &rst     iat =   469,   471,   484,   486,
   r1 = -53.0, r2 = -52.0, r3 =   8.0, r4 =   9.0,
 &end

# 31 GLY PHI:  (30 MET C)-(31 GLY N)-(31 GLY CA)-(31 GLY C) -99.0 -39.0
 &rst     iat =   484,   486,   488,   491,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 31 GLY PSI:  (31 GLY N)-(31 GLY CA)-(31 GLY C)-(32 TRP N) -71.0 -11.0
 &rst     iat =   486,   488,   491,   493,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 32 TRP PHI:  (31 GLY C)-(32 TRP N)-(32 TRP CA)-(32 TRP C) -97.8 -37.8
 &rst     iat =   491,   493,   495,   515,
   r1 = -98.8, r2 = -97.8, r3 = -37.8, r4 = -36.8,
 &end

# 32 TRP PSI:  (32 TRP N)-(32 TRP CA)-(32 TRP C)-(33 TYR N) -70.0 -10.0
 &rst     iat =   493,   495,   515,   517,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 33 TYR PHI:  (32 TRP C)-(33 TYR N)-(33 TYR CA)-(33 TYR C) -93.2 -33.2
 &rst     iat =   515,   517,   519,   536,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end

# 33 TYR PSI:  (33 TYR N)-(33 TYR CA)-(33 TYR C)-(34 TYR N) -75.7 -15.7
 &rst     iat =   517,   519,   536,   538,
   r1 = -76.7, r2 = -75.7, r3 = -15.7, r4 = -14.7,
 &end

# 34 TYR PHI:  (33 TYR C)-(34 TYR N)-(34 TYR CA)-(34 TYR C) -96.1 -36.1
 &rst     iat =   536,   538,   540,   557,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 34 TYR PSI:  (34 TYR N)-(34 TYR CA)-(34 TYR C)-(35 TYR N) -66.1  -6.1
 &rst     iat =   538,   540,   557,   559,
   r1 = -67.1, r2 = -66.1, r3 =  -6.1, r4 =  -5.1,
 &end

# 35 TYR PHI:  (34 TYR C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -98.9 -38.9
 &rst     iat =   557,   559,   561,   578,
   r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 LEU N) -70.7 -10.6
 &rst     iat =   559,   561,   578,   580,
   r1 = -71.7, r2 = -70.7, r3 = -10.6, r4 =  -9.6,
 &end

# 36 LEU PHI:  (35 TYR C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -97.2 -37.2
 &rst     iat =   578,   580,   582,   597,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end

# 36 LEU PSI:  (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 ASP N) -72.0 -12.0
 &rst     iat =   580,   582,   597,   599,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 37 ASP PHI:  (36 LEU C)-(37 ASP N)-(37 ASP CA)-(37 ASP C) -96.1 -36.1
 &rst     iat =   597,   599,   601,   609,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 37 ASP PSI:  (37 ASP N)-(37 ASP CA)-(37 ASP C)-(38 ASP N) -61.9  -1.9
 &rst     iat =   599,   601,   609,   611,
   r1 = -62.9, r2 = -61.9, r3 =  -1.9, r4 =  -0.9,
 &end

# 38 ASP PHI:  (37 ASP C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -102.0 -42.0
 &rst     iat =   609,   611,   613,   621,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end

# 38 ASP PSI:  (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 THR N) -63.0  -3.0
 &rst     iat =   611,   613,   621,   623,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 39 THR PHI:  (38 ASP C)-(39 THR N)-(39 THR CA)-(39 THR C) -98.0 -38.0
 &rst     iat =   621,   623,   625,   635,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 39 THR PSI:  (39 THR N)-(39 THR CA)-(39 THR C)-(40 LEU N) -71.0 -11.0
 &rst     iat =   623,   625,   635,   637,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 44 PHE PHI:  (43 PRO C)-(44 PHE N)-(44 PHE CA)-(44 PHE C) -158.0 -98.0
 &rst     iat =   703,   705,   707,   723,
   r1 = -159.0, r2 = -158.0, r3 = -98.0, r4 = -97.0,
 &end

# 44 PHE PSI:  (44 PHE N)-(44 PHE CA)-(44 PHE C)-(45 MET N) 111.0 171.0
 &rst     iat =   705,   707,   723,   725,
   r1 = 110.0, r2 = 111.0, r3 = 201.0, r4 = 202.0,
 &end

# 45 MET PHI:  (44 PHE C)-(45 MET N)-(45 MET CA)-(45 MET C) -143.0 -83.0
 &rst     iat =   723,   725,   727,   740,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end

# 45 MET PSI:  (45 MET N)-(45 MET CA)-(45 MET C)-(46 GLY N) 121.0 181.0
 &rst     iat =   725,   727,   740,   742,
   r1 = 120.0, r2 = 121.0, r3 = 181.0, r4 = 182.0,
 &end

# 47 LYS PHI:  (46 GLY C)-(47 LYS N)-(47 LYS CA)-(47 LYS C) -129.0 -69.0
 &rst     iat =   747,   749,   751,   769,
   r1 = -130.0, r2 = -129.0, r3 = -69.0, r4 = -68.0,
 &end

# 47 LYS PSI:  (47 LYS N)-(47 LYS CA)-(47 LYS C)-(48 TRP N)  91.0 151.0
 &rst     iat =   749,   751,   769,   771,
   r1 =  90.0, r2 =  91.0, r3 = 151.0, r4 = 152.0,
 &end

# 48 TRP PHI:  (47 LYS C)-(48 TRP N)-(48 TRP CA)-(48 TRP C) -138.0 -78.0
 &rst     iat =   769,   771,   773,   793,
   r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
 &end

# 48 TRP PSI:  (48 TRP N)-(48 TRP CA)-(48 TRP C)-(49 LYS N)  96.0 156.0
 &rst     iat =   771,   773,   793,   795,
   r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
 &end

# 49 LYS PHI:  (48 TRP C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -118.0 -58.0
 &rst     iat =   793,   795,   797,   815,
   r1 = -119.0, r2 = -118.0, r3 = -58.0, r4 = -57.0,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 LYS N)  97.0 157.0
 &rst     iat =   795,   797,   815,   817,
   r1 =  36.0, r2 =  37.0, r3 = 157.0, r4 = 158.0,
 &end

# 50 LYS PHI:  (49 LYS C)-(50 LYS N)-(50 LYS CA)-(50 LYS C) -113.0 -53.0
 &rst     iat =   815,   817,   819,   837,
   r1 = -114.0, r2 = -113.0, r3 = -53.0, r4 = -52.0,
 &end

# 50 LYS PSI:  (50 LYS N)-(50 LYS CA)-(50 LYS C)-(51 LYS N) 107.0 167.0
 &rst     iat =   817,   819,   837,   839,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 59 GLU PHI:  (58 ILE C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -131.0 -71.0
 &rst     iat =   974,   976,   978,   989,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 GLU N) 102.0 162.0
 &rst     iat =   976,   978,   989,   991,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 60 GLU PHI:  (59 GLU C)-(60 GLU N)-(60 GLU CA)-(60 GLU C) -131.0 -71.0
 &rst     iat =   989,   991,   993,  1004,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end

# 60 GLU PSI:  (60 GLU N)-(60 GLU CA)-(60 GLU C)-(61 LYS N) 104.0 164.0
 &rst     iat =   991,   993,  1004,  1006,
   r1 = 73.0, r2 = 74.0, r3 = 164.0, r4 = 165.0,
 &end

# 61 LYS PHI:  (60 GLU C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -147.0 -87.0
 &rst     iat =  1004,  1006,  1008,  1026,
   r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
 &end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 THR N)  97.0 157.0
 &rst     iat =  1006,  1008,  1026,  1028,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

# 62 THR PHI:  (61 LYS C)-(62 THR N)-(62 THR CA)-(62 THR C) -124.0 -64.0
 &rst     iat =  1026,  1028,  1030,  1040,
   r1 = -125.0, r2 = -124.0, r3 = -64.0, r4 = -63.0,
 &end

# 62 THR PSI:  (62 THR N)-(62 THR CA)-(62 THR C)-(63 VAL N) 100.0 160.0
 &rst     iat =  1028,  1030,  1040,  1042,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 63 VAL PHI:  (62 THR C)-(63 VAL N)-(63 VAL CA)-(63 VAL C) -158.0 -98.0
 &rst     iat =  1040,  1042,  1044,  1056,
   r1 = -159.0, r2 = -158.0, r3 = -98.0, r4 = -97.0,
 &end

# 63 VAL PSI:  (63 VAL N)-(63 VAL CA)-(63 VAL C)-(64 GLU N) 123.0 183.0
 &rst     iat =  1042,  1044,  1056,  1058,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end

# 64 GLU PHI:  (63 VAL C)-(64 GLU N)-(64 GLU CA)-(64 GLU C) -157.0 -97.0
 &rst     iat =  1056,  1058,  1060,  1071,
   r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
 &end

# 64 GLU PSI:  (64 GLU N)-(64 GLU CA)-(64 GLU C)-(65 VAL N)  94.0 154.0
 &rst     iat =  1058,  1060,  1071,  1073,
   r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
 &end

# 71 ASP PHI:  (70 PRO C)-(71 ASP N)-(71 ASP CA)-(71 ASP C) -93.0 -33.0
 &rst     iat =  1154,  1156,  1158,  1166,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 71 ASP PSI:  (71 ASP N)-(71 ASP CA)-(71 ASP C)-(72 ASP N) -63.0  -3.0
 &rst     iat =  1156,  1158,  1166,  1168,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 77 ASP PHI:  (76 LYS C)-(77 ASP N)-(77 ASP CA)-(77 ASP C) -127.0 -67.0
 &rst     iat =  1245,  1247,  1249,  1257,
   r1 = -158.0, r2 = -157.0, r3 = -67.0, r4 = -66.0,
 &end

# 77 ASP PSI:  (77 ASP N)-(77 ASP CA)-(77 ASP C)-(78 MET N) 114.0 174.0
 &rst     iat =  1247,  1249,  1257,  1259,
   r1 = 113.0, r2 = 114.0, r3 = 174.0, r4 = 175.0,
 &end

# 78 MET PHI:  (77 ASP C)-(78 MET N)-(78 MET CA)-(78 MET C) -141.0 -81.0
 &rst     iat =  1257,  1259,  1261,  1274,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end

# 78 MET PSI:  (78 MET N)-(78 MET CA)-(78 MET C)-(79 TYR N) 101.0 161.0
 &rst     iat =  1259,  1261,  1274,  1276,
   r1 = 70.0, r2 = 71.0, r3 = 161.0, r4 = 162.0,
 &end

# 79 TYR PHI:  (78 MET C)-(79 TYR N)-(79 TYR CA)-(79 TYR C) -139.0 -79.0
 &rst     iat =  1274,  1276,  1278,  1295,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end

# 79 TYR PSI:  (79 TYR N)-(79 TYR CA)-(79 TYR C)-(80 VAL N) 117.0 177.0
 &rst     iat =  1276,  1278,  1295,  1297,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 80 VAL PHI:  (79 TYR C)-(80 VAL N)-(80 VAL CA)-(80 VAL C) -157.0 -97.0
 &rst     iat =  1295,  1297,  1299,  1311,
   r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
 &end

# 80 VAL PSI:  (80 VAL N)-(80 VAL CA)-(80 VAL C)-(81 GLU N) 123.0 183.0
 &rst     iat =  1297,  1299,  1311,  1313,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end

# 81 GLU PHI:  (80 VAL C)-(81 GLU N)-(81 GLU CA)-(81 GLU C) -144.0 -84.0
 &rst     iat =  1311,  1313,  1315,  1326,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end

# 81 GLU PSI:  (81 GLU N)-(81 GLU CA)-(81 GLU C)-(82 VAL N) 113.0 173.0
 &rst     iat =  1313,  1315,  1326,  1328,
   r1 = 112.0, r2 = 113.0, r3 = 173.0, r4 = 174.0,
 &end

# 82 VAL PHI:  (81 GLU C)-(82 VAL N)-(82 VAL CA)-(82 VAL C) -163.0 -103.0
 &rst     iat =  1326,  1328,  1330,  1342,
   r1 = -164.0, r2 = -163.0, r3 = -103.0, r4 = -102.0,
 &end

# 82 VAL PSI:  (82 VAL N)-(82 VAL CA)-(82 VAL C)-(83 ALA N) 126.0 186.0
 &rst     iat =  1328,  1330,  1342,  1344,
   r1 = 125.0, r2 = 126.0, r3 = 186.0, r4 = 187.0,
 &end

# 83 ALA PHI:  (82 VAL C)-(83 ALA N)-(83 ALA CA)-(83 ALA C) -151.0 -91.0
 &rst     iat =  1342,  1344,  1346,  1352,
   r1 = -152.0, r2 = -151.0, r3 = -91.0, r4 = -90.0,
 &end

# 83 ALA PSI:  (83 ALA N)-(83 ALA CA)-(83 ALA C)-(84 ASP N) 102.0 162.0
 &rst     iat =  1344,  1346,  1352,  1354,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 84 ASP PHI:  (83 ALA C)-(84 ASP N)-(84 ASP CA)-(84 ASP C) -123.0 -63.0
 &rst     iat =  1352,  1354,  1356,  1364,
   r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0,
 &end

# 84 ASP PSI:  (84 ASP N)-(84 ASP CA)-(84 ASP C)-(85 ILE N)  92.0 152.0
 &rst     iat =  1354,  1356,  1364,  1366,
   r1 =  61.0, r2 =  62.0, r3 = 152.0, r4 = 153.0,
 &end

# 92 VAL PHI:  (91 ASP C)-(92 VAL N)-(92 VAL CA)-(92 VAL C) -135.0 -75.0
 &rst     iat =  1455,  1457,  1459,  1471,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 92 VAL PSI:  (92 VAL N)-(92 VAL CA)-(92 VAL C)-(93 TYR N) 107.0 167.0
 &rst     iat =  1457,  1459,  1471,  1473,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 93 TYR PHI:  (92 VAL C)-(93 TYR N)-(93 TYR CA)-(93 TYR C) -144.0 -84.0
 &rst     iat =  1471,  1473,  1475,  1492,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end

# 93 TYR PSI:  (93 TYR N)-(93 TYR CA)-(93 TYR C)-(94 THR N) 111.0 171.0
 &rst     iat =  1473,  1475,  1492,  1494,
   r1 = 110.0, r2 = 111.0, r3 = 201.0, r4 = 202.0,
 &end

# 94 THR PHI:  (93 TYR C)-(94 THR N)-(94 THR CA)-(94 THR C) -123.0 -63.0
 &rst     iat =  1492,  1494,  1496,  1506,
   r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0,
 &end

# 94 THR PSI:  (94 THR N)-(94 THR CA)-(94 THR C)-(95 ALA N) 101.0 161.0
 &rst     iat =  1494,  1496,  1506,  1508,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end

# 97 LEU PHI:  (96 LYS C)-(97 LEU N)-(97 LEU CA)-(97 LEU C) -98.0 -38.0
 &rst     iat =  1538,  1540,  1542,  1557,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 97 LEU PSI:  (97 LEU N)-(97 LEU CA)-(97 LEU C)-(98 SER N) -69.0  -9.0
 &rst     iat =  1540,  1542,  1557,  1559,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 98 SER PHI:  (97 LEU C)-(98 SER N)-(98 SER CA)-(98 SER C) -104.0 -44.0
 &rst     iat =  1557,  1559,  1561,  1568,
   r1 = -105.0, r2 = -104.0, r3 = -44.0, r4 = -43.0,
 &end

# 98 SER PSI:  (98 SER N)-(98 SER CA)-(98 SER C)-(99 ASP N) -59.0   1.0
 &rst     iat =  1559,  1561,  1568,  1570,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end

# 100 ILE PHI:  (99 ASP C)-(100 ILE N)-(100 ILE CA)-(100 ILE C) -139.0 -79.0
 &rst     iat =  1580,  1582,  1584,  1599,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end

# 100 ILE PSI:  (100 ILE N)-(100 ILE CA)-(100 ILE C)-(101 GLU N)  97.0 157.0
 &rst     iat =  1582,  1584,  1599,  1601,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

# 101 GLU PHI:  (100 ILE C)-(101 GLU N)-(101 GLU CA)-(101 GLU C) -136.0 -76.0
 &rst     iat =  1599,  1601,  1603,  1614,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end

# 101 GLU PSI:  (101 GLU N)-(101 GLU CA)-(101 GLU C)-(102 ALA N)  97.0 157.0
 &rst     iat =  1601,  1603,  1614,  1616,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

# 102 ALA PHI:  (101 GLU C)-(102 ALA N)-(102 ALA CA)-(102 ALA C) -140.0 -80.0
 &rst     iat =  1614,  1616,  1618,  1624,
   r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
 &end

# 102 ALA PSI:  (102 ALA N)-(102 ALA CA)-(102 ALA C)-(103 ILE N)  98.0 158.0
 &rst     iat =  1616,  1618,  1624,  1626,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end

# 103 ILE PHI:  (102 ALA C)-(103 ILE N)-(103 ILE CA)-(103 ILE C) -134.0 -74.0
 &rst     iat =  1624,  1626,  1628,  1643,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
 &end

# 103 ILE PSI:  (103 ILE N)-(103 ILE CA)-(103 ILE C)-(104 ASP N) 110.0 170.0
 &rst     iat =  1626,  1628,  1643,  1645,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 106 ASP PHI:  (105 VAL C)-(106 ASP N)-(106 ASP CA)-(106 ASP C) -127.0 -67.0
 &rst     iat =  1671,  1673,  1675,  1683,
   r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
 &end

# 106 ASP PSI:  (106 ASP N)-(106 ASP CA)-(106 ASP C)-(107 ASP N) 135.0 195.0
 &rst     iat =  1673,  1675,  1683,  1685,
   r1 = 134.0, r2 = 135.0, r3 = 195.0, r4 = 196.0,
 &end

# 111 GLU PHI:  (110 GLN C)-(111 GLU N)-(111 GLU CA)-(111 GLU C) -93.0 -33.0
 &rst     iat =  1738,  1740,  1742,  1753,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 111 GLU PSI:  (111 GLU N)-(111 GLU CA)-(111 GLU C)-(112 ALA N) -70.0 -10.0
 &rst     iat =  1740,  1742,  1753,  1755,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 112 ALA PHI:  (111 GLU C)-(112 ALA N)-(112 ALA CA)-(112 ALA C) -96.0 -36.0
 &rst     iat =  1753,  1755,  1757,  1763,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 112 ALA PSI:  (112 ALA N)-(112 ALA CA)-(112 ALA C)-(113 ILE N) -69.0  -9.0
 &rst     iat =  1755,  1757,  1763,  1765,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 113 ILE PHI:  (112 ALA C)-(113 ILE N)-(113 ILE CA)-(113 ILE C) -97.0 -37.0
 &rst     iat =  1763,  1765,  1767,  1782,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 113 ILE PSI:  (113 ILE N)-(113 ILE CA)-(113 ILE C)-(114 ALA N) -71.0 -11.0
 &rst     iat =  1765,  1767,  1782,  1784,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 114 ALA PHI:  (113 ILE C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -97.0 -37.0
 &rst     iat =  1782,  1784,  1786,  1792,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 114 ALA PSI:  (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 ASP N) -69.0  -9.0
 &rst     iat =  1784,  1786,  1792,  1794,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 115 ASP PHI:  (114 ALA C)-(115 ASP N)-(115 ASP CA)-(115 ASP C) -98.0 -38.0
 &rst     iat =  1792,  1794,  1796,  1804,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 115 ASP PSI:  (115 ASP N)-(115 ASP CA)-(115 ASP C)-(116 TRP N) -65.0  -5.0
 &rst     iat =  1794,  1796,  1804,  1806,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end

# 116 TRP PHI:  (115 ASP C)-(116 TRP N)-(116 TRP CA)-(116 TRP C) -99.0 -39.0
 &rst     iat =  1804,  1806,  1808,  1828,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 116 TRP PSI:  (116 TRP N)-(116 TRP CA)-(116 TRP C)-(117 LEU N) -63.0  -3.0
 &rst     iat =  1806,  1808,  1828,  1830,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 117 LEU PHI:  (116 TRP C)-(117 LEU N)-(117 LEU CA)-(117 LEU C) -95.0 -35.0
 &rst     iat =  1828,  1830,  1832,  1847,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 117 LEU PSI:  (117 LEU N)-(117 LEU CA)-(117 LEU C)-(118 TYR N) -71.0 -11.0
 &rst     iat =  1830,  1832,  1847,  1849,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 118 TYR PHI:  (117 LEU C)-(118 TYR N)-(118 TYR CA)-(118 TYR C) -97.0 -37.0
 &rst     iat =  1847,  1849,  1851,  1868,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 118 TYR PSI:  (118 TYR N)-(118 TYR CA)-(118 TYR C)-(119 TRP N) -71.0 -11.0
 &rst     iat =  1849,  1851,  1868,  1870,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 119 TRP PHI:  (118 TYR C)-(119 TRP N)-(119 TRP CA)-(119 TRP C) -95.0 -35.0
 &rst     iat =  1868,  1870,  1872,  1892,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 119 TRP PSI:  (119 TRP N)-(119 TRP CA)-(119 TRP C)-(120 LEU N) -73.0 -13.0
 &rst     iat =  1870,  1872,  1892,  1894,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 120 LEU PHI:  (119 TRP C)-(120 LEU N)-(120 LEU CA)-(120 LEU C) -95.0 -35.0
 &rst     iat =  1892,  1894,  1896,  1911,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 120 LEU PSI:  (120 LEU N)-(120 LEU CA)-(120 LEU C)-(121 ALA N) -68.0  -8.0
 &rst     iat =  1894,  1896,  1911,  1913,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 121 ALA PHI:  (120 LEU C)-(121 ALA N)-(121 ALA CA)-(121 ALA C) -98.0 -38.0
 &rst     iat =  1911,  1913,  1915,  1921,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 121 ALA PSI:  (121 ALA N)-(121 ALA CA)-(121 ALA C)-(122 ARG N) -65.0  -5.0
 &rst     iat =  1913,  1915,  1921,  1923,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end

#
# 10 ARG O 14 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 218, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 10 ARG O 14 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 217, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 11 GLU O 15 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 237, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 11 GLU O 15 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 236, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 12 HIS O 16 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 252, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 12 HIS O 16 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 251, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 13 ARG O 17 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 266, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 13 ARG O 17 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 265, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 14 ILE O 18 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 281, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 14 ILE O 18 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 280, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 26 GLU O 30 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 470, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 26 GLU O 30 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 469, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 27 GLU O 31 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 487, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 27 GLU O 31 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 486, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 28 ARG O 32 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 494, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28 ARG O 32 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 493, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 ALA O 33 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 518, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29 ALA O 33 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 517, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 30 MET O 34 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 539, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 30 MET O 34 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 538, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 31 GLY O 35 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 560, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 31 GLY O 35 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 559, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 32 TRP O 36 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 581, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 32 TRP O 36 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 580, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 33 TYR O 37 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 600, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 33 TYR O 37 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 599, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 34 TYR O 38 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 612, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 34 TYR O 38 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 611, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 35 TYR O 39 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 624, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 35 TYR O 39 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 623, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 36 LEU O 40 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 638, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 36 LEU O 40 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 637, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 108 ASP O 112 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1756, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 108 ASP O 112 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1755, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 109 THR O 113 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1722,1766, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 109 THR O 113 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1722,1765, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 110 GLN O 114 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1785, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 110 GLN O 114 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1784, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 111 GLU O 115 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1795, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 111 GLU O 115 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1794, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 112 ALA O 116 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1764,1807, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 112 ALA O 116 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1764,1806, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 113 ILE O 117 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1831, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 113 ILE O 117 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1830, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 114 ALA O 118 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1793,1850, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 114 ALA O 118 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1793,1849, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 115 ASP O 119 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1871, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 115 ASP O 119 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1870, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 116 TRP O 120 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1895, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 116 TRP O 120 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1894, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 117 LEU O 121 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1848,1914, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 117 LEU O 121 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1848,1913, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 118 TYR O 122 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1924, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 118 TYR O 122 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1923, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 65 VAL O 44 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1088, 706, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 65 VAL O 44 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1088, 705, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 45 MET O 103 ILE  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1627, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 45 MET O 103 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1626, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 63 VAL O 46 GLY  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1057, 743, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 63 VAL O 46 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1057, 742, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 47 LYS O 101 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770,1602, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 47 LYS O 101 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770,1601, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 61 LYS O 48 TRP  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1027, 772, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 61 LYS O 48 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1027, 771, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 59 GLU O 50 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 818, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 59 GLU O 50 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 817, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 83 ALA O 64 GLU  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1059, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 83 ALA O 64 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1058, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 93 TYR O 82 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1329, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 93 TYR O 82 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1328, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 82 VAL O 93 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1474, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 82 VAL O 93 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1473, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 95 ALA O 80 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1298, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 95 ALA O 80 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1297, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#   32 TRP  HZ2         119 TRP  HE1         5.20    (#      4:10        Unique  4.88, 5.28 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 507,1881, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  119 TRP  HZ2         119 TRP  HE1         3.00    (#      5:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 5, nxpk= 10, iat=1884,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:6      119 TRP  HE1         5.10    (#      6:10        Single  0.00, 0.00  )
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1965,1970,1826,
 &end
#
#  119 TRP  HD1         119 TRP  HE1         3.00    (#      7:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 7, nxpk= 10, iat=1879,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 LEU  HA          119 TRP  HE1         4.20    (#      9:10        Unique  3.51, 3.80 A)
 &rst
  ixpk= 9, nxpk= 10, iat=1897,1881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:11     119 TRP  HE1         4.00    (#     11:10        Single  0.00, 0.00  )
 &rst
  ixpk= 11, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  101 GLU  HG+         102 ALA  HN          4.00    (#     12:10        Unique  1.90, 3.62 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1609,1610,
 &end
#
#  101 GLU  HB-         102 ALA  HN          4.00    (#     13:10        Unique  3.19, 4.00 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1606,1607,
 &end
#
#  102 ALA  HA          102 ALA  HN          3.50    (#     15:10        Unique  2.74, 2.85 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1619,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HB+         102 ALA  HN          4.00    (#     16:10        Unique  3.19, 4.00 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1606,1607,
 &end
#
#  102 ALA  MB          102 ALA  HN          3.00    (#     17:10        Unique  2.26, 2.98 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1621,1622,1623,
 &end
#
#  113 ILE  QD1         102 ALA  HN          4.00    (#     18:10        Unique  3.48, 4.73 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#   48 TRP  HH2          48 TRP  HE1         5.00    (#     19:10        Unique  4.96, 4.97 A)
 &rst
  ixpk= 19, nxpk= 10, iat= 787, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HZ2          48 TRP  HE1         3.50    (#     20:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 785, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TRP  HD1          48 TRP  HE1         3.00    (#     21:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 780, 782, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HA           48 TRP  HE1         5.00    (#     22:10        Unique  4.74, 4.79 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 774, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HB+          48 TRP  HE1         3.50    (#     24:10        Unique  2.11, 2.82 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          48 TRP  HE1         3.50    (#     25:10        Unique  2.11, 2.82 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#    0 AMB  10-2:26      48 TRP  HE1         5.40    (#     26:10        Single  0.00, 0.00  )
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 800, 801,1011,1012,1523,1524,
 &end
#
#    0 AMB  10-2:30      48 TRP  HE1         4.00    (#     30:10        Single  0.00, 0.00  )
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1596,1597,1598,1513,1514,1515,
 &end
#
#   49 LYS  HA           49 LYS  HN          3.50    (#     31:10        Unique  2.83, 2.84 A)
 &rst
  ixpk= 31, nxpk= 10, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HB+          49 LYS  HN          5.40    (#     32:10        Unique  3.80, 5.04 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1575,1576,
 &end
#
#   48 TRP  HB-          49 LYS  HN          5.00    (#     33:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#   49 LYS  HB+          49 LYS  HN          3.50    (#     34:10        Unique  2.73, 3.17 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 800, 801,
 &end
#
#   48 TRP  HD1          49 LYS  HN          3.50    (#     35:10        Unique  2.77, 2.92 A)
 &rst
  ixpk= 35, nxpk= 10, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HB-          49 LYS  HN          3.80    (#     36:10        Unique  2.73, 3.17 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 800, 801,
 &end
#
#  100 ILE  QD1          49 LYS  HN          5.50    (#     37:10        Unique  3.84, 5.80 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HE1          49 LYS  HN          5.50    (#     38:10        Unique  5.13, 5.25 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 782, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          49 LYS  HN          3.00    (#     39:10        Unique  1.60, 2.62 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 803, 804,
 &end
#
#   48 TRP  HN           49 LYS  HN          4.50    (#     40:10        Unique  4.20, 4.21 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 772, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TRP  HA           49 LYS  HN          2.80    (#     41:10        Unique  2.20, 2.21 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 774, 796, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:42      49 LYS  HN          5.20    (#     42:10        Single  0.00, 0.00  )
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 752, 745, 746,
 &end
#
#   99 ASP  HB-          49 LYS  HN          5.50    (#     43:10        Unique  3.80, 5.04 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1575,1576,
 &end
#
#   49 LYS  HG-          49 LYS  HN          3.50    (#     44:10        Unique  1.60, 2.62 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 803, 804,
 &end
#
#    0 AMB  10-2:45      49 LYS  HN          5.00    (#     45:10        Single  0.00, 0.00  )
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 964, 965, 966,1589,1590,1591,
 &end
#
#   80 VAL  HN           95 ALA  HN          3.00    (#     47:10        Unique  1.98, 2.28 A)
 &rst
  ixpk= 47, nxpk= 10, iat=1298,1509, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:48      95 ALA  HN          4.50    (#     48:10        Single  0.00, 0.00  )
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1495,1314,
 &end
#
#   94 THR  HA           95 ALA  HN          2.80    (#     49:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 49, nxpk= 10, iat=1497,1509, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   81 GLU  HA           95 ALA  HN          4.00    (#     50:10        Unique  3.65, 3.97 A)
 &rst
  ixpk= 50, nxpk= 10, iat=1316,1509, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 ALA  HA           95 ALA  HN          3.50    (#     51:10        Unique  2.67, 2.73 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1511,1509, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:52      95 ALA  HN          4.50    (#     52:10        Single  0.00, 0.00  )
 &rst
  ixpk= 52, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1499,1521,
 &end
#
#    0 AMB  10-2:53      95 ALA  HN          4.80    (#     53:10        Single  0.00, 0.00  )
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1281,1282,1281,1282,
 &end
#
#    0 AMB  10-2:54      95 ALA  HN          5.00    (#     54:10        Single  0.00, 0.00  )
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1526,1527,1501,1502,1503,
 &end
#
#   82 VAL  MGY          95 ALA  HN          5.00    (#     55:10        Unique  3.64, 5.60 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   95 ALA  MB           95 ALA  HN          4.00    (#     56:10        Unique  3.14, 3.69 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1513,1514,1515,
 &end
#
#   59 GLU  HG+          59 GLU  HN          4.00    (#     57:10        Unique  3.11, 3.60 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 984, 985,
 &end
#
#   50 LYS  HB+          59 GLU  HN          4.00    (#     59:10        Unique  2.61, 3.62 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 822, 823,
 &end
#
#   58 ILE  HG1+         59 GLU  HN          5.00    (#     60:10        Unique  4.12, 4.97 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          59 GLU  HN          3.00    (#     61:10        Unique  3.02, 3.95 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#   48 TRP  HA          101 GLU  HN          4.00    (#     62:10        Unique  3.28, 3.44 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 774,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLU  HA           59 GLU  HN          3.00    (#     64:10        Unique  2.89, 2.92 A)
 &rst
  ixpk= 64, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ILE  HA           59 GLU  HN          2.80    (#     65:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 GLU  HG-          59 GLU  HN          4.00    (#     66:10        Unique  3.11, 3.60 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 984, 985,
 &end
#
#   58 ILE  HG1-         59 GLU  HN          5.00    (#     67:10        Unique  4.12, 4.97 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#   63 VAL  HN           48 TRP  HN          4.50    (#     69:10        Unique  3.59, 3.91 A)
 &rst
  ixpk= 69, nxpk= 10, iat=1043, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:70       0 AMB  10-1:70     4.80    (#     70:10        Double  0.00, 0.00  )
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1059,1029,1345,
 igr2=1074, 772,
 &end
#
#   45 MET  HA           65 VAL  HN          3.00    (#     71:10        Unique  2.38, 2.58 A)
 &rst
  ixpk= 71, nxpk= 10, iat= 728,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 GLU  HG+          65 VAL  HN          4.00    (#     72:10        Unique  2.49, 3.50 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1066,1067,
 &end
#
#   63 VAL  MGY         101 GLU  HN          6.00    (#     73:10        Unique  5.54, 7.18 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   47 LYS  HN          101 GLU  HN          2.80    (#     74:10        Unique  2.23, 2.37 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 750,1602, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 LYS  HB-         101 GLU  HN          4.00    (#     75:10        Unique  3.22, 3.66 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 754, 755,
 &end
#
#  100 ILE  HA          101 GLU  HN          2.80    (#     76:10        Unique  2.35, 2.37 A)
 &rst
  ixpk= 76, nxpk= 10, iat=1585,1602, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:78     101 GLU  HN          4.00    (#     78:10        Single  0.00, 0.00  )
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1587,1609,1610,
 &end
#
#  101 GLU  HB+         101 GLU  HN          3.50    (#     79:10        Unique  2.55, 2.84 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-         101 GLU  HN          3.00    (#     80:10        Unique  2.55, 2.84 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1606,1607,
 &end
#
#  100 ILE  HG1+        101 GLU  HN          3.50    (#     81:10        Unique  1.82, 2.87 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1593,1594,
 &end
#
#  100 ILE  QG2         101 GLU  HN          4.00    (#     82:10        Unique  2.41, 3.52 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         101 GLU  HN          4.40    (#     84:10        Unique  2.18, 4.23 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HA           48 TRP  HN          3.50    (#     85:10        Unique  2.84, 2.85 A)
 &rst
  ixpk= 85, nxpk= 10, iat= 774, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 THR  HA           48 TRP  HN          4.00    (#     86:10        Unique  3.43, 3.56 A)
 &rst
  ixpk= 86, nxpk= 10, iat=1031, 772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:88       0 AMB  10-1:88     3.00    (#     88:10        Double  0.00, 0.00  )
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1066,1067,1011,1012,
 igr2=1074, 772,
 &end
#
#   65 VAL  HB           65 VAL  HN          3.00    (#     90:10        Unique  2.32, 2.50 A)
 &rst
  ixpk= 90, nxpk= 10, iat=1078,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:91      65 VAL  HN          3.30    (#     91:10        Single  0.00, 0.00  )
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#    0 AMB  10-2:93      48 TRP  HN          3.50    (#     93:10        Single  0.00, 0.00  )
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1007, 796,
 &end
#
#    0 AMB  10-2:94       0 AMB  10-1:94     5.00    (#     94:10        Double  0.00, 0.00  )
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 780, 716, 720,
 igr2= 772,1074,
 &end
#
#   47 LYS  HA           48 TRP  HN          2.80    (#     95:10        Unique  2.16, 2.17 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 752, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HB+          48 TRP  HN          3.00    (#     96:10        Unique  2.33, 2.55 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#   48 TRP  HB-          48 TRP  HN          3.00    (#     97:10        Unique  2.33, 2.55 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:98       0 AMB  10-1:98     4.00    (#     98:10        Double  0.00, 0.00  )
 &rst
  ixpk= 98, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 760, 761, 754, 755,1063,1064,
 igr2= 772,1074,
 &end
#
#   63 VAL  MGY           0 AMB  10-1:100    4.00    (#    100:10        Single  0.00, 0.00  )
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 772,1074,
 &end
#
#  126 PHE  HB+         126 PHE  HN          4.00    (#    101:10        Unique  2.66, 3.35 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  126 PHE  HD          126 PHE  HN          5.00    (#    105:10        Unique  2.25, 4.43 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2006,2014,
 &end
#
#    0 AMB  10-2:106    126 PHE  HN          4.30    (#    106:10        Single  0.00, 0.00  )
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1884,2008,2012,
 &end
#
#  126 PHE  HB-         126 PHE  HN          4.00    (#    108:10        Unique  2.66, 3.35 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  125 LYS  HB+         126 PHE  HN          4.00    (#    109:10        Unique  2.73, 4.10 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1980,1981,
 &end
#
#    0 AMB  10-2:110    126 PHE  HN          4.50    (#    110:10        Single  0.00, 0.00  )
 &rst
  ixpk= 110, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1980,1981,1986,1987,
 &end
#
#   51 LYS  HA           51 LYS  HN          3.50    (#    112:10        Unique  2.78, 2.91 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LYS  HA           51 LYS  HN          3.00    (#    113:10        Unique  2.16, 2.37 A)
 &rst
  ixpk= 113, nxpk= 10, iat= 820, 840, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 LYS  HB+          51 LYS  HN          3.50    (#    114:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   51 LYS  HB-          51 LYS  HN          3.80    (#    115:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 844, 845,
 &end
#
#    0 AMB  10-2:116     51 LYS  HN          5.00    (#    116:10        Single  0.00, 0.00  )
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 822, 823, 847, 848,
 &end
#
#   50 LYS  HG+          51 LYS  HN          3.00    (#    117:10        Unique  1.92, 2.60 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 825, 826,
 &end
#
#    6 ARG  HB+           7 ASP  HN          5.50    (#    120:10        Unique  3.49, 3.94 A)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  77,  78,
 &end
#
#    7 ASP  HA            7 ASP  HN          4.50    (#    122:10        Unique  2.74, 2.83 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  99,  97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ARG  HA            7 ASP  HN          5.00    (#    124:10        Unique  3.44, 3.49 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  75,  97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:125      7 ASP  HN          5.00    (#    125:10        Single  0.00, 0.00  )
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  65,  66, 101, 102,
 &end
#
#    6 ARG  HB-           7 ASP  HN          5.00    (#    126:10        Unique  3.49, 3.94 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  77,  78,
 &end
#
#    6 ARG  HG+           7 ASP  HN          4.50    (#    127:10        Unique  1.97, 3.10 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  80,  81,
 &end
#
#   97 LEU  HB+         116 TRP  HE1         3.80    (#    132:10        Unique  2.34, 3.33 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1545,1546,
 &end
#
#   98 SER  HN          116 TRP  HE1         4.50    (#    133:10        Unique  3.15, 3.98 A)
 &rst
  ixpk= 133, nxpk= 10, iat=1560,1817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HZ2         116 TRP  HE1         3.50    (#    134:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 134, nxpk= 10, iat=1820,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HD1         116 TRP  HE1         3.00    (#    135:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 135, nxpk= 10, iat=1815,1817, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 LEU  MDY         116 TRP  HE1         5.00    (#    137:10        Unique  4.00, 6.00 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:138    116 TRP  HE1         3.80    (#    138:10        Single  0.00, 0.00  )
 &rst
  ixpk= 138, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1545,1546,1840,1841,1842,1844,1845,1846,
 &end
#
#   97 LEU  HG          116 TRP  HE1         5.00    (#    139:10        Unique  4.50, 4.87 A)
 &rst
  ixpk= 139, nxpk= 10, iat=1548,1817, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:140    116 TRP  HE1         4.00    (#    140:10        Single  0.00, 0.00  )
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   82 VAL  HA           66 LEU  HN          3.50    (#    142:10        Unique  2.34, 3.09 A)
 &rst
  ixpk= 142, nxpk= 10, iat=1331,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HA           66 LEU  HN          3.50    (#    143:10        Unique  2.88, 2.92 A)
 &rst
  ixpk= 143, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          3.50    (#    144:10        Unique  2.22, 2.96 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#   65 VAL  MGY          66 LEU  HN          4.00    (#    145:10        Unique  2.23, 4.12 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  10-2:146     66 LEU  HN          3.00    (#    146:10        Single  0.00, 0.00  )
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 &end
#
#    0 AMB  10-2:147     66 LEU  HN          4.60    (#    147:10        Single  0.00, 0.00  )
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#    0 AMB  10-2:148     97 LEU  HN          5.00    (#    148:10        Single  0.00, 0.00  )
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1298,1519,
 &end
#
#   98 SER  HN           97 LEU  HN          3.50    (#    149:10        Unique  2.78, 2.87 A)
 &rst
  ixpk= 149, nxpk= 10, iat=1560,1541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   96 LYS  HA           97 LEU  HN          4.00    (#    150:10        Unique  3.52, 3.54 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:151     97 LEU  HN          5.00    (#    151:10        Single  0.00, 0.00  )
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1589,1590,1591,1264,1265,
 &end
#
#   67 GLY  HN           66 LEU  HN          3.00    (#    152:10        Unique  2.00, 2.24 A)
 &rst
  ixpk= 152, nxpk= 10, iat=1109,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HA           66 LEU  HN          3.00    (#    153:10        Unique  2.14, 2.18 A)
 &rst
  ixpk= 153, nxpk= 10, iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 VAL  MGX          97 LEU  HN          5.00    (#    156:10        Unique  2.44, 4.34 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   79 TYR  HA           97 LEU  HN          4.50    (#    157:10        Unique  3.04, 3.72 A)
 &rst
  ixpk= 157, nxpk= 10, iat=1279,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:159     97 LEU  HN          4.00    (#    159:10        Single  0.00, 0.00  )
 &rst
  ixpk= 159, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1550,1551,1552,1554,1555,1556,1523,1524,
 &end
#
#   97 LEU  HB+          97 LEU  HN          3.50    (#    160:10        Unique  2.20, 2.98 A)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1545,1546,
 &end
#
#    0 AMB  10-2:161     97 LEU  HN          4.00    (#    161:10        Single  0.00, 0.00  )
 &rst
  ixpk= 161, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1550,1551,1552,1554,1555,1556,1545,1546,
 &end
#
#  122 ARG  HN          121 ALA  HN          3.50    (#    163:10        Unique  2.65, 2.88 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1924,1914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 LEU  HN          121 ALA  HN          3.00    (#    164:10        Unique  2.19, 2.31 A)
 &rst
  ixpk= 164, nxpk= 10, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 TYR  HA          121 ALA  HN          4.00    (#    166:10        Unique  3.18, 3.34 A)
 &rst
  ixpk= 166, nxpk= 10, iat=1852,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 ALA  HA          121 ALA  HN          3.00    (#    168:10        Unique  2.72, 2.75 A)
 &rst
  ixpk= 168, nxpk= 10, iat=1916,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 LEU  HA          121 ALA  HN          4.00    (#    169:10        Unique  3.52, 3.55 A)
 &rst
  ixpk= 169, nxpk= 10, iat=1897,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:170    121 ALA  HN          5.00    (#    170:10        Single  0.00, 0.00  )
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1926,1875,1876,
 &end
#
#  120 LEU  HB+         121 ALA  HN          4.00    (#    171:10        Unique  2.49, 3.35 A)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1899,1900,
 &end
#
#  121 ALA  MB          121 ALA  HN          3.00    (#    172:10        Unique  2.26, 2.89 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  120 LEU  HB-         121 ALA  HN          3.80    (#    173:10        Unique  2.49, 3.35 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1899,1900,
 &end
#
#    0 AMB  10-2:176    121 ALA  HN          4.50    (#    176:10        Single  0.00, 0.00  )
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   82 VAL  HN           93 TYR  HN          3.80    (#    181:10        Unique  3.00, 3.25 A)
 &rst
  ixpk= 181, nxpk= 10, iat=1329,1474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   93 TYR  HD           93 TYR  HN          4.00    (#    182:10        Unique  1.94, 3.51 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1482,1491,
 &end
#
#   93 TYR  HE           93 TYR  HN          5.00    (#    183:10        Unique  3.91, 4.93 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1484,1489,
 &end
#
#   83 ALA  HA           93 TYR  HN          3.80    (#    184:10        Unique  2.88, 3.25 A)
 &rst
  ixpk= 184, nxpk= 10, iat=1347,1474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   92 VAL  HA           93 TYR  HN          2.80    (#    185:10        Unique  2.16, 2.18 A)
 &rst
  ixpk= 185, nxpk= 10, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   93 TYR  HB-          93 TYR  HN          3.80    (#    186:10        Unique  2.82, 3.38 A)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1478,1479,
 &end
#
#   92 VAL  HB           93 TYR  HN          4.00    (#    187:10        Unique  3.43, 3.71 A)
 &rst
  ixpk= 187, nxpk= 10, iat=1462,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:189     93 TYR  HN          3.30    (#    189:10        Single  0.00, 0.00  )
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  MGX          93 TYR  HN          4.00    (#    190:10        Unique  2.29, 4.73 A)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   92 VAL  HN           93 TYR  HN          5.00    (#    193:10        Unique  4.27, 4.32 A)
 &rst
  ixpk= 193, nxpk= 10, iat=1458,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           93 TYR  HN          5.00    (#    194:10        Unique  4.44, 4.47 A)
 &rst
  ixpk= 194, nxpk= 10, iat=1495,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:195     93 TYR  HN          3.00    (#    195:10        Single  0.00, 0.00  )
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1476,1316,
 &end
#
#   93 TYR  HB+          93 TYR  HN          4.00    (#    196:10        Unique  2.82, 3.38 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1478,1479,
 &end
#
#   83 ALA  MB           93 TYR  HN          5.00    (#    197:10        Unique  4.53, 5.47 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1349,1350,1351,
 &end
#
#   50 LYS  HN           61 LYS  HN          4.50    (#    199:10        Unique  3.51, 3.79 A)
 &rst
  ixpk= 199, nxpk= 10, iat= 818,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TRP  HD1          61 LYS  HN          5.30    (#    200:10        Unique  4.54, 4.80 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 780,1007, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   60 GLU  HA           61 LYS  HN          2.80    (#    201:10        Unique  2.14, 2.17 A)
 &rst
  ixpk= 201, nxpk= 10, iat= 994,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 LYS  HA           61 LYS  HN          4.00    (#    203:10        Unique  3.68, 3.88 A)
 &rst
  ixpk= 203, nxpk= 10, iat= 798,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HB+          61 LYS  HN          4.00    (#    204:10        Unique  2.30, 3.41 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 776, 777,
 &end
#
#   48 TRP  HB-          61 LYS  HN          4.00    (#    205:10        Unique  2.30, 3.41 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 776, 777,
 &end
#
#   60 GLU  HB+          61 LYS  HN          4.50    (#    206:10        Unique  2.79, 3.84 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 996, 997,
 &end
#
#    0 AMB  10-2:207     61 LYS  HN          5.00    (#    207:10        Single  0.00, 0.00  )
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1017,1018, 800, 801,
 &end
#
#    0 AMB  10-2:208     61 LYS  HN          4.50    (#    208:10        Single  0.00, 0.00  )
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 757, 758,1014,1015,
 &end
#
#    0 AMB  10-2:210      8 GLU  HN          5.00    (#    210:10        Single  0.00, 0.00  )
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  65,  66, 101, 102, 101, 102, 116, 117,
 &end
#
#    8 GLU  HB-           8 GLU  HN          4.50    (#    211:10        Unique  2.60, 3.76 A)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 113, 114,
 &end
#
#   48 TRP  HN           61 LYS  HN          3.50    (#    212:10        Unique  2.76, 2.92 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 772,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 LYS  HA           61 LYS  HN          4.50    (#    213:10        Unique  3.63, 4.01 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 752,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 GLU  HG+          61 LYS  HN          5.00    (#    214:10        Unique  4.22, 4.62 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 999,1000,
 &end
#
#   33 TYR  HE           69 ALA  HN          6.00    (#    215:10        Unique  3.92, 5.84 A)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 528, 533,
 &end
#
#   81 GLU  HN           69 ALA  HN          4.50    (#    217:10        Unique  2.84, 3.90 A)
 &rst
  ixpk= 217, nxpk= 10, iat=1314,1133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 VAL  HA           69 ALA  HN          3.50    (#    218:10        Unique  1.89, 2.72 A)
 &rst
  ixpk= 218, nxpk= 10, iat=1300,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 MET  HA           69 ALA  HN          2.80    (#    219:10        Unique  2.28, 2.38 A)
 &rst
  ixpk= 219, nxpk= 10, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 MET  HB+          69 ALA  HN          4.00    (#    220:10        Unique  1.87, 3.46 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   73 GLU  HB-          69 ALA  HN          5.60    (#    221:10        Unique  4.49, 5.30 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1185,1186,
 &end
#
#   68 MET  ME           69 ALA  HN          4.00    (#    222:10        Unique  2.98, 4.54 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   69 ALA  MB           69 ALA  HN          3.00    (#    223:10        Unique  2.08, 2.92 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1137,1138,1139,
 &end
#
#   80 VAL  MGY          69 ALA  HN          5.00    (#    224:10        Unique  3.66, 5.81 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   60 GLU  HA           50 LYS  HN          3.50    (#    227:10        Unique  2.82, 3.12 A)
 &rst
  ixpk= 227, nxpk= 10, iat= 994, 818, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 MET  HB-          79 TYR  HN          4.00    (#    228:10        Unique  2.93, 3.66 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1264,1265,
 &end
#
#   80 VAL  HN           79 TYR  HN          5.00    (#    229:10        Unique  4.34, 4.38 A)
 &rst
  ixpk= 229, nxpk= 10, iat=1298,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HA           79 TYR  HN          5.60    (#    230:10        Unique  4.16, 4.56 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1198,1277, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   68 MET  ME           79 TYR  HN          3.50    (#    231:10        Unique  1.80, 3.14 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1127,1128,1129,
 &end
#
#   78 MET  HB+          79 TYR  HN          4.00    (#    232:10        Unique  2.93, 3.66 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:233     79 TYR  HN          5.00    (#    233:10        Single  0.00, 0.00  )
 &rst
  ixpk= 233, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 590, 591, 592, 594, 595, 596,1267,1268,
 &end
#
#    6 ARG  HN            5 GLU  HN          6.00    (#    234:10        Unique  4.41, 4.47 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  73,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HA            5 GLU  HN          4.50    (#    236:10        Unique  2.92, 3.05 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  44,  58, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HA            5 GLU  HN          4.00    (#    237:10        Unique  2.79, 2.84 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 GLU  HB+           5 GLU  HN          5.00    (#    238:10        Unique  2.37, 3.06 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           5 GLU  HN          4.00    (#    239:10        Unique  2.37, 3.06 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  62,  63,
 &end
#
#   58 ILE  HA           58 ILE  HN          3.00    (#    242:10        Unique  2.27, 2.40 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 960, 958, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ILE  HG1+         58 ILE  HN          4.00    (#    243:10        Unique  2.68, 3.44 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HN          4.00    (#    244:10        Unique  4.22, 4.82 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 964, 965, 966,
 &end
#
#   69 ALA  HA           69 ALA  HN          3.50    (#    245:10        Unique  2.81, 2.86 A)
 &rst
  ixpk= 245, nxpk= 10, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:248     50 LYS  HN          4.50    (#    248:10        Single  0.00, 0.00  )
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1007, 796,
 &end
#
#   49 LYS  HA           50 LYS  HN          2.80    (#    251:10        Unique  2.22, 2.23 A)
 &rst
  ixpk= 251, nxpk= 10, iat= 798, 818, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LYS  HA           50 LYS  HN          3.50    (#    252:10        Unique  2.89, 2.91 A)
 &rst
  ixpk= 252, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:253     50 LYS  HN          4.40    (#    253:10        Single  0.00, 0.00  )
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 981, 982, 800, 801,
 &end
#
#   49 LYS  HB-          50 LYS  HN          4.00    (#    254:10        Unique  3.97, 4.17 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 800, 801,
 &end
#
#    0 AMB  10-2:255     50 LYS  HN          5.00    (#    255:10        Single  0.00, 0.00  )
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 803, 804,1014,1015, 757, 758,
 &end
#
#   50 LYS  HB+          50 LYS  HN          3.00    (#    256:10        Unique  2.40, 2.61 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:257     50 LYS  HN          5.00    (#    257:10        Single  0.00, 0.00  )
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 828, 829, 968, 969,
 &end
#
#    0 AMB  10-2:258     50 LYS  HN          3.00    (#    258:10        Single  0.00, 0.00  )
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   60 GLU  HG-          50 LYS  HN          5.50    (#    259:10        Unique  4.49, 4.97 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 999,1000,
 &end
#
#   41 GLU  HA           41 GLU  HN          3.70    (#    262:10        Unique  2.29, 2.83 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  109 THR  HA           41 GLU  HN          5.00    (#    263:10        Unique  3.39, 3.85 A)
 &rst
  ixpk= 263, nxpk= 10, iat=1712, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 GLU  HG+          41 GLU  HN          3.90    (#    264:10        Unique  2.05, 3.03 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 664, 665,
 &end
#
#   41 GLU  HB+          41 GLU  HN          4.00    (#    265:10        Unique  2.21, 3.12 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 661, 662,
 &end
#
#   41 GLU  HB-          41 GLU  HN          3.70    (#    266:10        Unique  2.21, 3.12 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 661, 662,
 &end
#
#   40 LEU  HB+          41 GLU  HN          4.20    (#    267:10        Unique  2.56, 3.49 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 642, 643,
 &end
#
#   39 THR  MG2          41 GLU  HN          5.50    (#    268:10        Unique  4.52, 6.12 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 630, 631, 632,
 &end
#
#   40 LEU  MDY          41 GLU  HN          5.00    (#    269:10        Unique  3.50, 5.32 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2          41 GLU  HN          4.50    (#    270:10        Unique  1.98, 3.56 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HB-          41 GLU  HN          4.50    (#    271:10        Unique  2.56, 3.49 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 642, 643,
 &end
#
#    0 AMB  10-2:273     79 TYR  HN          4.00    (#    273:10        Single  0.00, 0.00  )
 &rst
  ixpk= 273, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1281,1282,1200,1201,
 &end
#
#    0 AMB  10-2:274     79 TYR  HN          5.00    (#    274:10        Single  0.00, 0.00  )
 &rst
  ixpk= 274, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1271,1272,1273,1188,1189,
 &end
#
#   78 MET  HN           79 TYR  HN          5.20    (#    275:10        Unique  4.36, 4.52 A)
 &rst
  ixpk= 275, nxpk= 10, iat=1260,1277, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   33 TYR  HE           79 TYR  HN          5.80    (#    277:10        Unique  5.94, 7.00 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 528, 533,
 &end
#
#   79 TYR  HA           79 TYR  HN          3.50    (#    278:10        Unique  2.91, 2.92 A)
 &rst
  ixpk= 278, nxpk= 10, iat=1279,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 MET  HA           79 TYR  HN          2.80    (#    279:10        Unique  2.14, 2.18 A)
 &rst
  ixpk= 279, nxpk= 10, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 ALA  MB           79 TYR  HN          5.00    (#    280:10        Unique  3.24, 5.76 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  10-2:289     58 ILE  HN          4.00    (#    289:10        Single  0.00, 0.00  )
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 946, 842, 935,
 &end
#
#   57 THR  HB           58 ILE  HN          5.00    (#    290:10        Unique  3.85, 4.33 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 948, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:291     58 ILE  HN          3.50    (#    291:10        Single  0.00, 0.00  )
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 962, 844, 845,
 &end
#
#   58 ILE  HG1-         58 ILE  HN          4.00    (#    292:10        Unique  2.68, 3.44 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   57 THR  MG2          58 ILE  HN          4.00    (#    293:10        Unique  2.84, 4.11 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 950, 951, 952,
 &end
#
#  105 VAL  HN          104 ASP  HN          3.50    (#    296:10        Unique  2.51, 2.74 A)
 &rst
  ixpk= 296, nxpk= 10, iat=1658,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 ASP  HA          104 ASP  HN          2.80    (#    297:10        Unique  2.28, 2.28 A)
 &rst
  ixpk= 297, nxpk= 10, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  103 ILE  HA          104 ASP  HN          2.80    (#    298:10        Unique  2.14, 2.19 A)
 &rst
  ixpk= 298, nxpk= 10, iat=1629,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  104 ASP  HB+         104 ASP  HN          4.00    (#    299:10        Unique  3.03, 3.48 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#  104 ASP  HB-         104 ASP  HN          4.00    (#    300:10        Unique  3.03, 3.48 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#  103 ILE  QG2         104 ASP  HN          3.00    (#    301:10        Unique  1.92, 3.49 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1633,1634,1635,
 &end
#
#   72 ASP  HN           71 ASP  HN          3.50    (#    303:10        Unique  2.54, 2.72 A)
 &rst
  ixpk= 303, nxpk= 10, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HA           71 ASP  HN          3.50    (#    304:10        Unique  2.74, 2.78 A)
 &rst
  ixpk= 304, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:306     71 ASP  HN          3.00    (#    306:10        Single  0.00, 0.00  )
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1161,1162,1150,1151,
 &end
#
#   33 TYR  HE           71 ASP  HN          6.00    (#    307:10        Unique  2.72, 6.68 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 528, 533,
 &end
#
#   12 HIS  HD2          13 ARG  HN          4.70    (#    308:10        Unique  2.55, 4.01 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    0 AMB  10-2:310     13 ARG  HN          5.00    (#    310:10        Single  0.00, 0.00  )
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258, 259, 260, 142, 143,
 &end
#
#    0 AMB  10-2:311    104 ASP  HN          7.00    (#    311:10        Single  0.00, 0.00  )
 &rst
  ixpk= 311, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 730, 731,1728,1729,
 &end
#
#   60 GLU  HA           60 GLU  HN          3.50    (#    313:10        Unique  2.84, 2.86 A)
 &rst
  ixpk= 313, nxpk= 10, iat= 994, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GLU  HA           60 GLU  HN          2.80    (#    316:10        Unique  2.14, 2.16 A)
 &rst
  ixpk= 316, nxpk= 10, iat= 979, 992, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 GLU  HG+          60 GLU  HN          3.50    (#    317:10        Unique  2.16, 3.16 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 999,1000,
 &end
#
#   60 GLU  HG-          60 GLU  HN          3.00    (#    318:10        Unique  2.16, 3.16 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 999,1000,
 &end
#
#    0 AMB  10-2:319     60 GLU  HN          4.00    (#    319:10        Single  0.00, 0.00  )
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 981, 982, 962,
 &end
#
#   58 ILE  QG2          60 GLU  HN          5.00    (#    320:10        Unique  3.60, 4.48 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 964, 965, 966,
 &end
#
#  115 ASP  HN          116 TRP  HN          3.50    (#    321:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 321, nxpk= 10, iat=1795,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 LEU  HN          116 TRP  HN          3.50    (#    322:10        Unique  2.52, 2.74 A)
 &rst
  ixpk= 322, nxpk= 10, iat=1831,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:323    116 TRP  HN          4.50    (#    323:10        Single  0.00, 0.00  )
 &rst
  ixpk= 323, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1850,1785,1871,
 &end
#
#  110 GLN  HE2+        116 TRP  HN          7.00    (#    324:10        Unique  6.64, 7.00 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  115 ASP  HA          116 TRP  HN          4.00    (#    326:10        Unique  3.51, 3.55 A)
 &rst
  ixpk= 326, nxpk= 10, iat=1797,1807, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HA          116 TRP  HN          3.50    (#    327:10        Unique  2.79, 2.82 A)
 &rst
  ixpk= 327, nxpk= 10, iat=1809,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:328    116 TRP  HN          3.50    (#    328:10        Single  0.00, 0.00  )
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1799,1800,1768,
 &end
#
#  116 TRP  HB+         116 TRP  HN          3.00    (#    329:10        Unique  2.12, 2.57 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  116 TRP  HB-         116 TRP  HN          3.00    (#    330:10        Unique  2.12, 2.57 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  115 ASP  HB-         116 TRP  HN          3.50    (#    332:10        Unique  2.52, 2.98 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1799,1800,
 &end
#
#  117 LEU  HG          116 TRP  HN          5.00    (#    333:10        Unique  4.50, 4.93 A)
 &rst
  ixpk= 333, nxpk= 10, iat=1838,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:334    116 TRP  HN          5.00    (#    334:10        Single  0.00, 0.00  )
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1772,1773,1774,1545,1546,1899,1900,
 &end
#
#   14 ILE  HN           13 ARG  HN          3.80    (#    335:10        Unique  3.26, 3.28 A)
 &rst
  ixpk= 335, nxpk= 10, iat= 218, 194, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   12 HIS  HN           13 ARG  HN          3.50    (#    336:10        Unique  2.94, 2.99 A)
 &rst
  ixpk= 336, nxpk= 10, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 HIS  HA           13 ARG  HN          4.00    (#    337:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:338     13 ARG  HN          4.00    (#    338:10        Single  0.00, 0.00  )
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 126, 111,
 &end
#
#   13 ARG  HA           13 ARG  HN          3.00    (#    339:10        Unique  2.71, 2.72 A)
 &rst
  ixpk= 339, nxpk= 10, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 HIS  HB+          13 ARG  HN          4.00    (#    340:10        Unique  2.05, 2.68 A)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB-          13 ARG  HN          3.00    (#    341:10        Unique  2.05, 2.68 A)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#    0 AMB  10-2:342     13 ARG  HN          4.80    (#    342:10        Single  0.00, 0.00  )
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 273, 274, 222,
 &end
#
#   15 GLU  HB-          13 ARG  HN          5.00    (#    343:10        Unique  4.64, 5.52 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   13 ARG  HB-          13 ARG  HN          3.80    (#    344:10        Unique  2.70, 3.19 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 198, 199,
 &end
#
#   13 ARG  HB+          13 ARG  HN          3.00    (#    345:10        Unique  2.70, 3.19 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   13 ARG  HG-          13 ARG  HN          3.00    (#    347:10        Unique  1.93, 2.38 A)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 201, 202,
 &end
#
#   13 ARG  HG+          13 ARG  HN          3.00    (#    348:10        Unique  1.93, 2.38 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 201, 202,
 &end
#
#  103 ILE  QD1         103 ILE  HN          4.00    (#    351:10        Unique  2.23, 3.59 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1640,1641,1642,
 &end
#
#  105 VAL  MGY         103 ILE  HN          4.00    (#    352:10        Unique  2.84, 4.47 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   45 MET  HB-         103 ILE  HN          6.00    (#    353:10        Unique  4.86, 5.44 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 730, 731,
 &end
#
#    0 AMB  10-2:354    116 TRP  HN          6.00    (#    354:10        Single  0.00, 0.00  )
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1789,1790,1791,1545,1546, 231, 232, 233,
 &end
#
#  114 ALA  HA          116 TRP  HN          5.00    (#    356:10        Unique  4.06, 4.39 A)
 &rst
  ixpk= 356, nxpk= 10, iat=1787,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:357    116 TRP  HN          5.00    (#    357:10        Single  0.00, 0.00  )
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,1267,1268,
 &end
#
#  113 ILE  QG2         115 ASP  HN          6.00    (#    358:10        Unique  5.22, 6.16 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1772,1773,1774,
 &end
#
#  114 ALA  HN          115 ASP  HN          3.50    (#    359:10        Unique  2.71, 2.93 A)
 &rst
  ixpk= 359, nxpk= 10, iat=1785,1795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HN          115 ASP  HN          3.50    (#    360:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 360, nxpk= 10, iat=1807,1795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 GLN  HE2+        115 ASP  HN          5.50    (#    362:10        Unique  4.52, 5.07 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1736,1737,
 &end
#
#  112 ALA  HA          115 ASP  HN          4.00    (#    365:10        Unique  3.54, 3.89 A)
 &rst
  ixpk= 365, nxpk= 10, iat=1758,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HB+         115 ASP  HN          3.00    (#    367:10        Unique  2.08, 2.82 A)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1799,1800,
 &end
#
#    0 AMB  10-2:368    115 ASP  HN          5.60    (#    368:10        Single  0.00, 0.00  )
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1811,1812,1854,1855,
 &end
#
#  114 ALA  MB          115 ASP  HN          3.00    (#    371:10        Unique  2.42, 3.17 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  MB          115 ASP  HN          5.00    (#    372:10        Unique  5.21, 5.85 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  10-2:374    103 ILE  HN          4.00    (#    374:10        Single  0.00, 0.00  )
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 750,1617,
 &end
#
#   44 PHE  HD          103 ILE  HN          5.00    (#    375:10        Unique  3.33, 5.65 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 714, 722,
 &end
#
#   46 GLY  HA-         103 ILE  HN          3.50    (#    376:10        Unique  1.97, 2.89 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#  102 ALA  HA          103 ILE  HN          2.80    (#    377:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 377, nxpk= 10, iat=1619,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 GLY  HA+         103 ILE  HN          3.50    (#    378:10        Unique  1.97, 2.89 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   45 MET  ME          103 ILE  HN          5.00    (#    379:10        Unique  3.12, 4.54 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 737, 738, 739,
 &end
#
#  103 ILE  HB          103 ILE  HN          2.80    (#    380:10        Unique  2.21, 2.37 A)
 &rst
  ixpk= 380, nxpk= 10, iat=1631,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  102 ALA  MB          103 ILE  HN          4.50    (#    381:10        Unique  3.49, 4.14 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1621,1622,1623,
 &end
#
#   48 TRP  HE1          96 LYS  HN          5.00    (#    382:10        Unique  4.85, 5.02 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 782,1519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HD1          96 LYS  HN          6.00    (#    383:10        Unique  5.84, 6.07 A)
 &rst
  ixpk= 383, nxpk= 10, iat= 780,1519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 LYS  HA           96 LYS  HN          3.00    (#    387:10        Unique  2.27, 2.28 A)
 &rst
  ixpk= 387, nxpk= 10, iat=1521,1519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 ASP  HB-          96 LYS  HN          5.00    (#    388:10        Unique  4.87, 5.48 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#   96 LYS  HB+          96 LYS  HN          4.00    (#    389:10        Unique  3.29, 3.82 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#    0 AMB  10-2:390     96 LYS  HN          3.00    (#    390:10        Single  0.00, 0.00  )
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1529,1530,1523,1524,
 &end
#
#   96 LYS  HG+          96 LYS  HN          4.50    (#    391:10        Unique  3.15, 4.15 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1526,1527,
 &end
#
#   96 LYS  HG-          96 LYS  HN          4.00    (#    392:10        Unique  3.15, 4.15 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   95 ALA  MB           96 LYS  HN          3.00    (#    393:10        Unique  1.82, 2.47 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1513,1514,1515,
 &end
#
#  114 ALA  HA          115 ASP  HN          4.00    (#    395:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 395, nxpk= 10, iat=1787,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HB-         115 ASP  HN          3.50    (#    396:10        Unique  2.08, 2.82 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1799,1800,
 &end
#
#    0 AMB  10-2:397     36 LEU  HN          6.00    (#    397:10        Single  0.00, 0.00  )
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1127,1128,1129, 647, 648, 649, 651, 652, 653,
 &end
#
#   36 LEU  MDX          36 LEU  HN          4.00    (#    398:10        Unique  3.28, 5.03 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HN          118 TYR  HN          3.50    (#    399:10        Unique  2.70, 2.87 A)
 &rst
  ixpk= 399, nxpk= 10, iat=1831,1850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  118 TYR  HD            0 AMB  10-1:400    4.00    (#    400:10        Single  0.00, 0.00  )
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1858,1867,
 igr2=1850,1871,
 &end
#
#  118 TYR  HA            0 AMB  10-1:402    3.00    (#    402:10        Single  0.00, 0.00  )
 &rst
  ixpk= 402, nxpk= 10, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1850,1871,
 &end
#
#    0 AMB  10-2:403      0 AMB  10-1:403    4.00    (#    403:10        Double  0.00, 0.00  )
 &rst
  ixpk= 403, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1833,1799,1800,
 igr2=1850,1871,
 &end
#
#  118 TYR  HB-           0 AMB  10-1:404    3.50    (#    404:10        Single  0.00, 0.00  )
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1854,1855,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:405      0 AMB  10-1:405    3.00    (#    405:10        Double  0.00, 0.00  )
 &rst
  ixpk= 405, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1854,1855,1854,1855,
 igr2=1871,1850,
 &end
#
#  117 LEU  HB-         118 TYR  HN          3.50    (#    407:10        Unique  2.60, 3.19 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1835,1836,
 &end
#
#    0 AMB  10-2:408    118 TYR  HN          3.50    (#    408:10        Single  0.00, 0.00  )
 &rst
  ixpk= 408, nxpk= 10, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1835,1836,1899,1900,
 &end
#
#    0 AMB  10-2:409      0 AMB  10-1:409    4.40    (#    409:10        Double  0.00, 0.00  )
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1899,1900,1840,1841,1842,1844,1845,1846, 142, 143,
      
 igr2=1850,1871,
 &end
#
#    0 AMB  10-2:410      0 AMB  10-1:410    6.00    (#    410:10        Double  0.00, 0.00  )
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1840,1841,1842,1844,1845,1846,1959,1960,
 igr2=1850,1871,
 &end
#
#  118 TYR  HD            0 AMB  10-1:412    4.00    (#    412:10        Single  0.00, 0.00  )
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1858,1867,
 igr2=1850,1871,
 &end
#
#  119 TRP  HD1           0 AMB  10-1:415    4.50    (#    415:10        Single  0.00, 0.00  )
 &rst
  ixpk= 415, nxpk= 10, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1871,1850,
 &end
#
#  119 TRP  HA          119 TRP  HN          3.50    (#    416:10        Unique  2.74, 2.77 A)
 &rst
  ixpk= 416, nxpk= 10, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HB+         119 TRP  HN          3.00    (#    417:10        Unique  2.08, 2.62 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#    0 AMB  10-2:420      0 AMB  10-1:420    5.00    (#    420:10        Double  0.00, 0.00  )
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
 igr1=1928,1929,1904,1905,1906,1908,1909,1910,1904,1905,
      1906,1908,1909,1910,
 igr2=1871,1850,
 &end
#
#  120 LEU  HN            0 AMB  10-1:421    3.50    (#    421:10        Single  0.00, 0.00  )
 &rst
  ixpk= 421, nxpk= 10, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1871,1850,
 &end
#
#   84 ASP  HB+          85 ILE  HN          4.50    (#    424:10        Unique  3.88, 4.29 A)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1359,1360,
 &end
#
#    0 AMB  10-2:425     85 ILE  HN          4.00    (#    425:10        Single  0.00, 0.00  )
 &rst
  ixpk= 425, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1386,1059,1355,
 &end
#
#   63 VAL  HA           85 ILE  HN          3.00    (#    426:10        Unique  1.95, 2.11 A)
 &rst
  ixpk= 426, nxpk= 10, iat=1045,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASP  HA           85 ILE  HN          2.80    (#    428:10        Unique  2.18, 2.20 A)
 &rst
  ixpk= 428, nxpk= 10, iat=1357,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   85 ILE  HA           85 ILE  HN          3.50    (#    430:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 430, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 ASP  HB-          85 ILE  HN          4.00    (#    431:10        Unique  3.88, 4.29 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#    0 AMB  10-2:432     85 ILE  HN          5.00    (#    432:10        Single  0.00, 0.00  )
 &rst
  ixpk= 432, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1047, 737, 738, 739,
 &end
#
#   85 ILE  HB           85 ILE  HN          4.00    (#    433:10        Unique  3.60, 3.63 A)
 &rst
  ixpk= 433, nxpk= 10, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HG1-         85 ILE  HN          3.00    (#    434:10        Unique  1.84, 2.37 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         85 ILE  HN          2.80    (#    435:10        Unique  1.84, 2.37 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1377,1378,
 &end
#
#    0 AMB  10-2:436     85 ILE  HN          3.00    (#    436:10        Single  0.00, 0.00  )
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:437      0 AMB  10-1:437    5.60    (#    437:10        Double  0.00, 0.00  )
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 438, 626,1714,
 igr2= 347, 672,
 &end
#
#   23 GLU  HN           22 ALA  HN          5.60    (#    438:10        Unique  4.24, 4.35 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 357, 347, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   21 ASP  HN           22 ALA  HN          4.10    (#    439:10        Unique  2.01, 2.23 A)
 &rst
  ixpk= 439, nxpk= 10, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   20 VAL  HN           22 ALA  HN          5.50    (#    440:10        Unique  4.58, 4.72 A)
 &rst
  ixpk= 440, nxpk= 10, iat= 319, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HA           22 ALA  HN          4.60    (#    441:10        Unique  3.49, 3.51 A)
 &rst
  ixpk= 441, nxpk= 10, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:442      0 AMB  10-1:442    5.00    (#    442:10        Double  0.00, 0.00  )
 &rst
  ixpk= 442, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 640, 489, 490, 321,
 igr2= 672, 347,
 &end
#
#   21 ASP  HB+          22 ALA  HN          4.40    (#    443:10        Unique  2.21, 3.32 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 339, 340,
 &end
#
#   22 ALA  MB           22 ALA  HN          3.60    (#    445:10        Unique  2.07, 2.88 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:447     22 ALA  HN          7.00    (#    447:10        Single  0.00, 0.00  )
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   36 LEU  HA           36 LEU  HN          3.50    (#    449:10        Unique  2.79, 2.82 A)
 &rst
  ixpk= 449, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           36 LEU  HN          3.50    (#    450:10        Unique  2.41, 2.51 A)
 &rst
  ixpk= 450, nxpk= 10, iat= 560, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HE           36 LEU  HN          5.00    (#    451:10        Unique  4.58, 6.44 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 570, 575,
 &end
#
#   35 TYR  HD           36 LEU  HN          5.00    (#    452:10        Unique  3.14, 4.63 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 568, 577,
 &end
#
#   35 TYR  HA           36 LEU  HN          4.00    (#    453:10        Unique  3.44, 3.47 A)
 &rst
  ixpk= 453, nxpk= 10, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 TYR  HB+          36 LEU  HN          4.00    (#    454:10        Unique  2.68, 3.58 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 564, 565,
 &end
#
#   35 TYR  HB-          36 LEU  HN          4.00    (#    455:10        Unique  2.68, 3.58 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 564, 565,
 &end
#
#    0 AMB  10-2:456     36 LEU  HN          5.00    (#    456:10        Single  0.00, 0.00  )
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 588, 604, 605,
 &end
#
#   36 LEU  HB-          36 LEU  HN          3.00    (#    457:10        Unique  2.07, 2.54 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 585, 586,
 &end
#
#   36 LEU  HB+          36 LEU  HN          3.00    (#    458:10        Unique  2.07, 2.54 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDY          36 LEU  HN          4.50    (#    459:10        Unique  3.28, 5.03 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  10-2:461      0 AMB  10-1:461    5.00    (#    461:10        Double  0.00, 0.00  )
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1789,1790,1791, 231, 232, 233,
 igr2=1850,1871,
 &end
#
#  121 ALA  MB            0 AMB  10-1:462    5.00    (#    462:10        Single  0.00, 0.00  )
 &rst
  ixpk= 462, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,1920,
 igr2=1850,1871,
 &end
#
#   63 VAL  MGX          85 ILE  HN          5.50    (#    467:10        Unique  2.80, 4.96 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   42 PHE  HD           42 PHE  HN          3.00    (#    469:10        Unique  2.81, 4.02 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 680, 688,
 &end
#
#   43 PRO  HA           42 PHE  HN          5.00    (#    471:10        Unique  4.51, 4.64 A)
 &rst
  ixpk= 471, nxpk= 10, iat= 702, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 PHE  HA           42 PHE  HN          3.00    (#    472:10        Unique  2.55, 2.64 A)
 &rst
  ixpk= 472, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:473      0 AMB  10-1:473    3.80    (#    473:10        Double  0.00, 0.00  )
 &rst
  ixpk= 473, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 349, 659,
 igr2= 347, 672,
 &end
#
#   42 PHE  HB+          42 PHE  HN          3.80    (#    475:10        Unique  2.15, 2.86 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 676, 677,
 &end
#
#    0 AMB  10-2:476      0 AMB  10-1:476    5.40    (#    476:10        Double  0.00, 0.00  )
 &rst
  ixpk= 476, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 364, 365, 604, 605, 428, 429,
 igr2= 347, 672,
 &end
#
#    0 AMB  10-2:477      0 AMB  10-1:477    4.20    (#    477:10        Double  0.00, 0.00  )
 &rst
  ixpk= 477, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 664, 665, 425, 426,
 igr2= 672, 347,
 &end
#
#    0 AMB  10-2:478      0 AMB  10-1:478    5.00    (#    478:10        Double  0.00, 0.00  )
 &rst
  ixpk= 478, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 323, 661, 662,
 igr2= 347, 672,
 &end
#
#   41 GLU  HB-          42 PHE  HN          4.80    (#    479:10        Unique  4.05, 4.42 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 661, 662,
 &end
#
#   22 ALA  HN           23 GLU  HN          5.60    (#    482:10        Unique  4.24, 4.35 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   22 ALA  HA           23 GLU  HN          3.40    (#    484:10        Unique  2.15, 2.17 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#    0 AMB  10-2:485     23 GLU  HN          4.60    (#    485:10        Single  0.00, 0.00  )
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 364, 365, 428, 429,
 &end
#
#    0 AMB  10-2:486     23 GLU  HN          4.40    (#    486:10        Single  0.00, 0.00  )
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 361, 362, 425, 426,
 &end
#
#   23 GLU  HB-          23 GLU  HN          4.40    (#    487:10        Unique  2.59, 3.25 A)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 361, 362,
 &end
#
#   22 ALA  MB           23 GLU  HN          4.60    (#    488:10        Unique  3.74, 4.19 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 351, 352, 353,
 &end
#
#   24 ASP  HN           23 GLU  HN          3.40    (#    489:10        Unique  1.81, 1.85 A)
 &rst
  ixpk= 489, nxpk= 10, iat= 372, 357, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   23 GLU  HA           23 GLU  HN          4.10    (#    490:10        Unique  2.94, 2.95 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 359, 357, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#    5 GLU  HA            6 ARG  HN          4.00    (#    491:10        Unique  2.69, 2.72 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  60,  73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 ARG  HD+           6 ARG  HN          4.80    (#    492:10        Unique  1.84, 3.39 A)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  83,  84,
 &end
#
#    6 ARG  HD-           6 ARG  HN          4.40    (#    493:10        Unique  1.84, 3.39 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  83,  84,
 &end
#
#    5 GLU  HG+           6 ARG  HN          5.30    (#    494:10        Unique  2.45, 3.26 A)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=  65,  66,
 &end
#
#    6 ARG  HB+           6 ARG  HN          4.00    (#    495:10        Unique  2.38, 3.35 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    6 ARG  HG+           6 ARG  HN          4.00    (#    496:10        Unique  1.83, 3.25 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  80,  81,
 &end
#
#   96 LYS  HA           99 ASP  HN          4.60    (#    500:10        Unique  3.15, 3.37 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1521,1571, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   42 PHE  HB-          42 PHE  HN          3.00    (#    501:10        Unique  2.15, 2.86 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 676, 677,
 &end
#
#    0 AMB  10-2:504     32 TRP  HN          5.00    (#    504:10        Single  0.00, 0.00  )
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 539, 581,
 &end
#
#   33 TYR  HN           32 TRP  HN          3.50    (#    505:10        Unique  2.85, 2.99 A)
 &rst
  ixpk= 505, nxpk= 10, iat= 518, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLY  HN           32 TRP  HN          3.50    (#    506:10        Unique  2.81, 2.88 A)
 &rst
  ixpk= 506, nxpk= 10, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:508     32 TRP  HN          5.50    (#    508:10        Single  0.00, 0.00  )
 &rst
  ixpk= 508, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 460, 507,
 &end
#
#    0 AMB  10-2:510     32 TRP  HN          3.00    (#    510:10        Single  0.00, 0.00  )
 &rst
  ixpk= 510, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 489, 490, 496,
 &end
#
#   31 GLY  HA-          32 TRP  HN          3.50    (#    511:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 490,
 &end
#
#   32 TRP  HB+          32 TRP  HN          3.00    (#    512:10        Unique  2.19, 2.91 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   32 TRP  HB-          32 TRP  HN          3.60    (#    513:10        Unique  2.19, 2.91 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:514     32 TRP  HN          4.00    (#    514:10        Single  0.00, 0.00  )
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 522, 523,
 &end
#
#   78 MET  ME           32 TRP  HN          5.00    (#    515:10        Unique  3.53, 5.21 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1271,1272,1273,
 &end
#
#   30 MET  ME           32 TRP  HN          6.00    (#    516:10        Unique  5.74, 6.99 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 481, 482, 483,
 &end
#
#   22 ALA  MB           32 TRP  HN          6.60    (#    517:10        Unique  4.04, 5.25 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 351, 352, 353,
 &end
#
#   18 ILE  QG2          32 TRP  HN          4.90    (#    518:10        Unique  3.07, 3.92 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 287, 288, 289,
 &end
#
#    6 ARG  HA            6 ARG  HN          3.50    (#    520:10        Unique  2.91, 2.94 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  75,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HB+           6 ARG  HN          4.00    (#    522:10        Unique  1.85, 2.71 A)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           6 ARG  HN          4.50    (#    523:10        Unique  1.85, 2.71 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  62,  63,
 &end
#
#   96 LYS  HN           99 ASP  HN          4.30    (#    525:10        Unique  3.61, 3.73 A)
 &rst
  ixpk= 525, nxpk= 10, iat=1519,1571, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   99 ASP  HA           99 ASP  HN          3.00    (#    526:10        Unique  2.81, 2.84 A)
 &rst
  ixpk= 526, nxpk= 10, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 ASP  HB+          99 ASP  HN          3.00    (#    527:10        Unique  3.00, 3.29 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#    0 AMB  10-2:528     99 ASP  HN          4.40    (#    528:10        Single  0.00, 0.00  )
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1840,1841,1842,1844,1845,1846,1545,1546,1550,1551,
      1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:530     99 ASP  HN          5.00    (#    530:10        Single  0.00, 0.00  )
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1513,1514,1515,1596,1597,1598,
 &end
#
#   32 TRP  HD1          32 TRP  HN          3.00    (#    531:10        Unique  2.23, 2.57 A)
 &rst
  ixpk= 531, nxpk= 10, iat= 502, 494, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 ALA  MB           32 TRP  HN          6.00    (#    532:10        Unique  5.63, 6.05 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#   82 VAL  HA           83 ALA  HN          2.80    (#    533:10        Unique  2.26, 2.42 A)
 &rst
  ixpk= 533, nxpk= 10, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 VAL  HA            0 AMB  10-1:534    5.00    (#    534:10        Single  0.00, 0.00  )
 &rst
  ixpk= 534, nxpk= 10, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1345,1029,
 &end
#
#   62 THR  HA           62 THR  HN          3.00    (#    535:10        Unique  2.80, 2.82 A)
 &rst
  ixpk= 535, nxpk= 10, iat=1031,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:536     83 ALA  HN          6.00    (#    536:10        Single  0.00, 0.00  )
 &rst
  ixpk= 536, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1316,1476,
 &end
#
#   62 THR  HB           62 THR  HN          3.00    (#    539:10        Unique  2.68, 2.79 A)
 &rst
  ixpk= 539, nxpk= 10, iat=1033,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HB           83 ALA  HN          4.00    (#    542:10        Unique  2.57, 2.90 A)
 &rst
  ixpk= 542, nxpk= 10, iat=1047,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:543      0 AMB  10-1:543    4.00    (#    543:10        Double  0.00, 0.00  )
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1063,1064,1011,1012,
 igr2=1345,1029,
 &end
#
#    0 AMB  10-2:544      0 AMB  10-1:544    5.00    (#    544:10        Double  0.00, 0.00  )
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1011,1012,1462,1529,1530,
 igr2=1029,1345,
 &end
#
#   82 VAL  HB           83 ALA  HN          4.30    (#    545:10        Unique  2.03, 3.19 A)
 &rst
  ixpk= 545, nxpk= 10, iat=1333,1345, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:546     62 THR  HN          4.00    (#    546:10        Single  0.00, 0.00  )
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 760, 761,1017,1018,
 &end
#
#    0 AMB  10-2:547      0 AMB  10-1:547    3.00    (#    547:10        Double  0.00, 0.00  )
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1349,1350,1351,1014,1015,
 igr2=1345,1029,
 &end
#
#    0 AMB  10-2:548      0 AMB  10-1:548    4.00    (#    548:10        Double  0.00, 0.00  )
 &rst
  ixpk= 548, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1035,1036,1037,1377,1378,1377,1378,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:549     83 ALA  HN          5.00    (#    549:10        Single  0.00, 0.00  )
 &rst
  ixpk= 549, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   82 VAL  MGY          83 ALA  HN          3.40    (#    550:10        Unique  1.96, 3.79 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#  100 ILE  QD1          83 ALA  HN          6.00    (#    551:10        Unique  5.98, 7.41 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1596,1597,1598,
 &end
#
#   82 VAL  MGX          83 ALA  HN          4.00    (#    552:10        Unique  1.96, 3.79 A)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   22 ALA  HN           21 ASP  HN          4.10    (#    553:10        Unique  2.01, 2.23 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 347, 335, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   21 ASP  HA           21 ASP  HN          3.00    (#    554:10        Unique  2.76, 2.91 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 VAL  HA           21 ASP  HN          4.50    (#    555:10        Unique  3.46, 3.53 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HB+          21 ASP  HN          3.50    (#    556:10        Unique  2.35, 2.76 A)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   20 VAL  HB           21 ASP  HN          3.70    (#    557:10        Unique  1.80, 1.87 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#    0 AMB  10-2:558     21 ASP  HN          5.20    (#    558:10        Single  0.00, 0.00  )
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   27 GLU  HN           26 GLU  HN          3.00    (#    561:10        Unique  2.46, 2.53 A)
 &rst
  ixpk= 561, nxpk= 10, iat= 421, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 GLU  HA           26 GLU  HN          3.00    (#    563:10        Unique  2.87, 2.91 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LYS  HE+          26 GLU  HN          4.00    (#    564:10        Unique  2.04, 3.48 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 397, 398,
 &end
#
#   24 ASP  HB+          26 GLU  HN          3.50    (#    565:10        Unique  2.11, 3.06 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   27 GLU  HG-          26 GLU  HN          4.00    (#    566:10        Unique  3.81, 4.72 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#   26 GLU  HG+          26 GLU  HN          3.00    (#    567:10        Unique  2.47, 3.13 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 413, 414,
 &end
#
#   25 LYS  HB+          26 GLU  HN          4.00    (#    568:10        Unique  3.61, 3.93 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 388, 389,
 &end
#
#    0 AMB  10-2:569     26 GLU  HN          3.50    (#    569:10        Single  0.00, 0.00  )
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 391, 392, 394, 395,
 &end
#
#    0 AMB  10-2:570     10 ARG  HN          5.00    (#    570:10        Single  0.00, 0.00  )
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 148, 149, 181, 182,
 &end
#
#   20 VAL  HN           21 ASP  HN          5.00    (#    574:10        Unique  3.90, 4.00 A)
 &rst
  ixpk= 574, nxpk= 10, iat= 319, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 ASP  HB-          21 ASP  HN          3.20    (#    575:10        Unique  2.35, 2.76 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 339, 340,
 &end
#
#   24 ASP  HA           26 GLU  HN          5.00    (#    578:10        Unique  3.94, 4.16 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LYS  HA           26 GLU  HN          4.00    (#    579:10        Unique  3.42, 3.49 A)
 &rst
  ixpk= 579, nxpk= 10, iat= 386, 406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HB-          26 GLU  HN          3.50    (#    580:10        Unique  2.11, 3.06 A)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   26 GLU  HB+          26 GLU  HN          3.00    (#    581:10        Unique  2.32, 3.02 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#   25 LYS  HG-          26 GLU  HN          3.50    (#    582:10        Unique  1.90, 2.98 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#    0 AMB  10-2:583     26 GLU  HN          5.00    (#    583:10        Single  0.00, 0.00  )
 &rst
  ixpk= 583, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#    0 AMB  10-2:584     35 TYR  HN          3.00    (#    584:10        Single  0.00, 0.00  )
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 581, 539,
 &end
#
#  114 ALA  MB          112 ALA  HN          5.00    (#    588:10        Unique  5.04, 6.24 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1789,1790,1791,
 &end
#
#    0 AMB  10-2:591    112 ALA  HN          4.00    (#    591:10        Single  0.00, 0.00  )
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1726,1799,1800,1768,
 &end
#
#  109 THR  HA          112 ALA  HN          4.50    (#    592:10        Unique  3.79, 3.89 A)
 &rst
  ixpk= 592, nxpk= 10, iat=1712,1756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:593    112 ALA  HN          5.00    (#    593:10        Single  0.00, 0.00  )
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 647, 648, 649, 651, 652, 653,1770,
 &end
#
#   11 GLU  HN           10 ARG  HN          3.00    (#    595:10        Unique  2.42, 2.49 A)
 &rst
  ixpk= 595, nxpk= 10, iat= 162, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  HN           10 ARG  HN          3.00    (#    596:10        Unique  2.58, 2.61 A)
 &rst
  ixpk= 596, nxpk= 10, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  HB           10 ARG  HN          4.00    (#    599:10        Unique  4.06, 4.12 A)
 &rst
  ixpk= 599, nxpk= 10, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 THR  HA           10 ARG  HN          4.00    (#    600:10        Unique  3.24, 3.30 A)
 &rst
  ixpk= 600, nxpk= 10, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 ARG  HA           10 ARG  HN          3.50    (#    601:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 601, nxpk= 10, iat= 140, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ARG  HG+          10 ARG  HN          4.00    (#    604:10        Unique  4.04, 4.56 A)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 145, 146,
 &end
#
#    9 THR  MG2          10 ARG  HN          4.00    (#    605:10        Unique  2.45, 3.79 A)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 130, 131, 132,
 &end
#
#   10 ARG  HB-          10 ARG  HN          3.50    (#    606:10        Unique  2.31, 2.79 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#   25 LYS  HA           28 ARG  HN          5.00    (#    609:10        Unique  3.99, 4.25 A)
 &rst
  ixpk= 609, nxpk= 10, iat= 386, 436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 ARG  HA           28 ARG  HN          3.50    (#    611:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 611, nxpk= 10, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:612     28 ARG  HN          6.50    (#    612:10        Single  0.00, 0.00  )
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 397, 398, 498, 499,
 &end
#
#   27 GLU  HG-           0 AMB  10-1:613    5.00    (#    613:10        Single  0.00, 0.00  )
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 428, 429,
 igr2= 406, 436,
 &end
#
#   34 TYR  HD           35 TYR  HN          5.00    (#    616:10        Unique  4.62, 4.96 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 547, 556,
 &end
#
#   35 TYR  HD           35 TYR  HN          4.00    (#    617:10        Unique  1.72, 3.57 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 568, 577,
 &end
#
#   35 TYR  HA           35 TYR  HN          3.50    (#    619:10        Unique  2.80, 2.85 A)
 &rst
  ixpk= 619, nxpk= 10, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 TRP  HA           35 TYR  HN          4.50    (#    620:10        Unique  3.82, 3.95 A)
 &rst
  ixpk= 620, nxpk= 10, iat= 496, 560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TYR  HB+          35 TYR  HN          3.50    (#    621:10        Unique  2.40, 2.75 A)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#   35 TYR  HB+          35 TYR  HN          3.60    (#    622:10        Unique  2.12, 3.00 A)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 564, 565,
 &end
#
#    0 AMB  10-2:623     35 TYR  HN          3.00    (#    623:10        Single  0.00, 0.00  )
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 564, 565, 543, 544,
 &end
#
#   18 ILE  QG2          35 TYR  HN          4.40    (#    624:10        Unique  4.30, 5.28 A)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 287, 288, 289,
 &end
#
#    0 AMB  10-2:626     35 TYR  HN          6.00    (#    626:10        Single  0.00, 0.00  )
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 604, 605, 588,
 &end
#
#  111 GLU  HN          112 ALA  HN          3.50    (#    627:10        Unique  2.87, 3.00 A)
 &rst
  ixpk= 627, nxpk= 10, iat=1741,1756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ALA  HA          112 ALA  HN          4.00    (#    628:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 628, nxpk= 10, iat=1758,1756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:629    112 ALA  HN          4.00    (#    629:10        Single  0.00, 0.00  )
 &rst
  ixpk= 629, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1743,1700,
 &end
#
#    0 AMB  10-2:630    112 ALA  HN          4.40    (#    630:10        Single  0.00, 0.00  )
 &rst
  ixpk= 630, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1748,1749,1731,1732,
 &end
#
#  111 GLU  HB+         112 ALA  HN          3.00    (#    631:10        Unique  2.40, 2.91 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  112 ALA  MB          112 ALA  HN          3.00    (#    632:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#   39 THR  MG2         112 ALA  HN          4.00    (#    634:10        Unique  3.65, 4.41 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 630, 631, 632,
 &end
#
#    0 AMB  10-2:635    112 ALA  HN          4.50    (#    635:10        Single  0.00, 0.00  )
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 &end
#
#  113 ILE  QD1         112 ALA  HN          5.00    (#    636:10        Unique  4.38, 5.63 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1779,1780,1781,
 &end
#
#   63 VAL  HA           64 GLU  HN          3.00    (#    638:10        Unique  2.33, 2.47 A)
 &rst
  ixpk= 638, nxpk= 10, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HB           64 GLU  HN          3.00    (#    639:10        Unique  2.05, 2.30 A)
 &rst
  ixpk= 639, nxpk= 10, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 GLU  HB+          64 GLU  HN          3.00    (#    640:10        Unique  2.51, 2.89 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063,1064,
 &end
#
#   63 VAL  MGX          64 GLU  HN          4.00    (#    641:10        Unique  2.69, 4.25 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          64 GLU  HN          5.00    (#    642:10        Unique  2.06, 4.26 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   64 GLU  HB-          64 GLU  HN          3.00    (#    643:10        Unique  2.51, 2.89 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063,1064,
 &end
#
#    0 AMB  10-2:644     64 GLU  HN          3.00    (#    644:10        Single  0.00, 0.00  )
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#   29 ALA  HN           28 ARG  HN          3.50    (#    646:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 646, nxpk= 10, iat= 460, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:647     28 ARG  HN          5.50    (#    647:10        Single  0.00, 0.00  )
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 481, 482, 483, 391, 392,
 &end
#
#   22 ALA  MB           28 ARG  HN          4.60    (#    648:10        Unique  3.32, 4.30 A)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 351, 352, 353,
 &end
#
#  115 ASP  HN          114 ALA  HN          3.50    (#    649:10        Unique  2.71, 2.93 A)
 &rst
  ixpk= 649, nxpk= 10, iat=1795,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 ILE  HN          114 ALA  HN          3.50    (#    650:10        Unique  2.92, 2.99 A)
 &rst
  ixpk= 650, nxpk= 10, iat=1766,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ALA  HA          114 ALA  HN          5.00    (#    651:10        Unique  4.82, 4.91 A)
 &rst
  ixpk= 651, nxpk= 10, iat=1758,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 GLU  HA          114 ALA  HN          4.00    (#    652:10        Unique  3.85, 3.91 A)
 &rst
  ixpk= 652, nxpk= 10, iat=1743,1785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 ALA  HA          114 ALA  HN          3.50    (#    653:10        Unique  2.74, 2.77 A)
 &rst
  ixpk= 653, nxpk= 10, iat=1787,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:654    114 ALA  HN          4.00    (#    654:10        Single  0.00, 0.00  )
 &rst
  ixpk= 654, nxpk= 10, iat=  -1,1785, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1768,1726,1799,1800,
 &end
#
#    0 AMB  10-2:656      0 AMB  10-1:656    3.00    (#    656:10        Double  0.00, 0.00  )
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1789,1790,1791,1318,1319,
 igr2=1785,1314,
 &end
#
#    0 AMB  10-2:658      0 AMB  10-1:658    3.30    (#    658:10        Double  0.00, 0.00  )
 &rst
  ixpk= 658, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1772,1773,1774,1501,1502,1503,
 igr2=1785,1314,
 &end
#
#   84 ASP  HN           91 ASP  HN          5.00    (#    660:10        Unique  4.04, 4.41 A)
 &rst
  ixpk= 660, nxpk= 10, iat=1355,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 ASP  HN           91 ASP  HN          2.80    (#    661:10        Unique  1.86, 2.33 A)
 &rst
  ixpk= 661, nxpk= 10, iat=1434,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   93 TYR  HE           91 ASP  HN          5.50    (#    662:10        Unique  5.08, 6.51 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1484,1489,
 &end
#
#    0 AMB  10-2:664     91 ASP  HN          3.00    (#    664:10        Single  0.00, 0.00  )
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1448,1436,
 &end
#
#   84 ASP  HB+          91 ASP  HN          5.00    (#    666:10        Unique  3.54, 5.00 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1359,1360,
 &end
#
#   91 ASP  HB+          91 ASP  HN          3.00    (#    667:10        Unique  2.20, 2.94 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   88 LYS  HB+          91 ASP  HN          4.00    (#    668:10        Unique  2.15, 2.90 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   88 LYS  HB-          91 ASP  HN          3.50    (#    669:10        Unique  2.15, 2.90 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1404,1405,
 &end
#
#    0 AMB  10-2:670     91 ASP  HN          5.00    (#    670:10        Single  0.00, 0.00  )
 &rst
  ixpk= 670, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1407,1408,1349,1350,1351,
 &end
#
#    0 AMB  10-2:671     91 ASP  HN          4.40    (#    671:10        Single  0.00, 0.00  )
 &rst
  ixpk= 671, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   48 TRP  HD1         100 ILE  HN          6.00    (#    672:10        Unique  5.20, 5.44 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 780,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 ARG  HN           29 ALA  HN          3.50    (#    673:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 673, nxpk= 10, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HN           29 ALA  HN          3.00    (#    674:10        Unique  2.63, 2.69 A)
 &rst
  ixpk= 674, nxpk= 10, iat= 470, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 ARG  HA           29 ALA  HN          4.00    (#    675:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 438, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:676     29 ALA  HN          6.00    (#    676:10        Single  0.00, 0.00  )
 &rst
  ixpk= 676, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2002,2003, 522, 523,
 &end
#
#   30 MET  ME           29 ALA  HN          4.80    (#    677:10        Unique  3.94, 4.77 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 481, 482, 483,
 &end
#
#   25 LYS  HA           29 ALA  HN          5.00    (#    680:10        Unique  4.77, 5.01 A)
 &rst
  ixpk= 680, nxpk= 10, iat= 386, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:681     29 ALA  HN          4.00    (#    681:10        Single  0.00, 0.00  )
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 408, 423,
 &end
#
#   29 ALA  HA           29 ALA  HN          3.50    (#    683:10        Unique  2.76, 2.79 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HG-          29 ALA  HN          5.50    (#    685:10        Unique  3.97, 4.93 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#    0 AMB  10-2:686     29 ALA  HN          5.40    (#    686:10        Single  0.00, 0.00  )
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1211,1212, 391, 392,1236,1237,
 &end
#
#   29 ALA  MB           29 ALA  HN          3.00    (#    687:10        Unique  2.07, 2.88 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   75 LEU  MDX          29 ALA  HN          5.00    (#    688:10        Unique  4.84, 7.26 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   85 ILE  HN            0 AMB  10-1:689    4.50    (#    689:10        Single  0.00, 0.00  )
 &rst
  ixpk= 689, nxpk= 10, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1059,1355,
 &end
#
#    0 AMB  10-2:692      0 AMB  10-1:692    5.00    (#    692:10        Double  0.00, 0.00  )
 &rst
  ixpk= 692, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1779,1780,1781,1099,1100,1101,1103,1104,1105,
 igr2=1785,1314,
 &end
#
#   67 GLY  HN           81 GLU  HN          4.00    (#    694:10        Unique  3.18, 3.65 A)
 &rst
  ixpk= 694, nxpk= 10, iat=1109,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 VAL  HA           81 GLU  HN          2.80    (#    695:10        Unique  2.19, 2.27 A)
 &rst
  ixpk= 695, nxpk= 10, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 MET  HA           81 GLU  HN          3.50    (#    696:10        Unique  1.91, 2.88 A)
 &rst
  ixpk= 696, nxpk= 10, iat=1118,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:697    114 ALA  HN          5.00    (#    697:10        Single  0.00, 0.00  )
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,1785, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1731,1732,1748,1749,
 &end
#
#   80 VAL  HB           81 GLU  HN          3.50    (#    698:10        Unique  2.46, 2.87 A)
 &rst
  ixpk= 698, nxpk= 10, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 ILE  HB          114 ALA  HN          2.80    (#    699:10        Unique  2.24, 2.29 A)
 &rst
  ixpk= 699, nxpk= 10, iat=1770,1785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  112 ALA  MB          114 ALA  HN          5.00    (#    700:10        Unique  4.97, 5.68 A)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1,1785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  10-2:701      0 AMB  10-1:701    5.00    (#    701:10        Double  0.00, 0.00  )
 &rst
  ixpk= 701, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1111,1112,1621,1622,1623,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:702      0 AMB  10-1:702    3.80    (#    702:10        Double  0.00, 0.00  )
 &rst
  ixpk= 702, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1304,1305,1306,1308,1309,1310,1840,1841,1842,1844,
      1845,1846,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:703     81 GLU  HN          5.00    (#    703:10        Single  0.00, 0.00  )
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   80 VAL  MGX          81 GLU  HN          4.00    (#    704:10        Unique  2.89, 4.55 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#  101 GLU  HN          100 ILE  HN          5.00    (#    705:10        Unique  4.39, 4.41 A)
 &rst
  ixpk= 705, nxpk= 10, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HA          100 ILE  HN          5.00    (#    706:10        Unique  4.45, 4.50 A)
 &rst
  ixpk= 706, nxpk= 10, iat= 774,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HA          100 ILE  HN          3.00    (#    707:10        Unique  2.43, 2.46 A)
 &rst
  ixpk= 707, nxpk= 10, iat=1573,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HA          100 ILE  HN          5.00    (#    709:10        Unique  5.21, 5.31 A)
 &rst
  ixpk= 709, nxpk= 10, iat=1562,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 LEU  HA          100 ILE  HN          4.00    (#    710:10        Unique  3.85, 4.02 A)
 &rst
  ixpk= 710, nxpk= 10, iat=1543,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 ASP  HB+         100 ILE  HN          5.00    (#    711:10        Unique  4.26, 4.50 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-         100 ILE  HN          4.80    (#    712:10        Unique  4.26, 4.50 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1575,1576,
 &end
#
#  100 ILE  HB          100 ILE  HN          3.00    (#    713:10        Unique  2.78, 2.92 A)
 &rst
  ixpk= 713, nxpk= 10, iat=1587,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1-        100 ILE  HN          5.00    (#    715:10        Unique  4.46, 4.71 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1593,1594,
 &end
#
#  100 ILE  HG1+        100 ILE  HN          5.00    (#    716:10        Unique  4.46, 4.71 A)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1593,1594,
 &end
#
#  117 LEU  MDX         100 ILE  HN          4.00    (#    717:10        Unique  2.32, 4.00 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  100 ILE  QG2         100 ILE  HN          4.00    (#    718:10        Unique  2.62, 3.79 A)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HN          5.00    (#    720:10        Unique  4.14, 5.64 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#   22 ALA  MB           29 ALA  HN          5.60    (#    721:10        Unique  4.96, 5.87 A)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 351, 352, 353,
 &end
#
#   93 TYR  HD           84 ASP  HN          5.00    (#    723:10        Unique  3.74, 5.44 A)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1482,1491,
 &end
#
#   93 TYR  HE           84 ASP  HN          4.00    (#    724:10        Unique  2.46, 4.50 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1484,1489,
 &end
#
#   83 ALA  HA           84 ASP  HN          2.80    (#    725:10        Unique  2.15, 2.17 A)
 &rst
  ixpk= 725, nxpk= 10, iat=1347,1355, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   84 ASP  HA           84 ASP  HN          3.00    (#    726:10        Unique  2.78, 2.80 A)
 &rst
  ixpk= 726, nxpk= 10, iat=1357,1355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 VAL  HA           84 ASP  HN          4.00    (#    727:10        Unique  3.06, 3.30 A)
 &rst
  ixpk= 727, nxpk= 10, iat=1460,1355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASP  HB+          84 ASP  HN          3.00    (#    728:10        Unique  2.30, 2.88 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   84 ASP  HB-          84 ASP  HN          3.80    (#    729:10        Unique  2.30, 2.88 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1359,1360,
 &end
#
#   83 ALA  MB            0 AMB  10-1:731    3.00    (#    731:10        Single  0.00, 0.00  )
 &rst
  ixpk= 731, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1349,1350,1351,
 igr2=1355,1059,
 &end
#
#    0 AMB  10-2:732     84 ASP  HN          4.50    (#    732:10        Single  0.00, 0.00  )
 &rst
  ixpk= 732, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   88 LYS  HA           88 LYS  HN          3.50    (#    736:10        Unique  2.93, 2.94 A)
 &rst
  ixpk= 736, nxpk= 10, iat=1402,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 GLY  HA-          88 LYS  HN          3.50    (#    737:10        Unique  2.28, 2.97 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   87 GLY  HA+          88 LYS  HN          3.50    (#    738:10        Unique  2.28, 2.97 A)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   88 LYS  HB+          88 LYS  HN          4.00    (#    739:10        Unique  2.76, 3.30 A)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   88 LYS  HB-          88 LYS  HN          4.00    (#    740:10        Unique  2.76, 3.30 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   88 LYS  HG+          88 LYS  HN          3.50    (#    741:10        Unique  1.94, 2.90 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1407,1408,
 &end
#
#    0 AMB  10-2:745     45 MET  HN          5.50    (#    745:10        Single  0.00, 0.00  )
 &rst
  ixpk= 745, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1078,1640,1641,1642,
 &end
#
#  105 VAL  MGY          45 MET  HN          4.40    (#    746:10        Unique  4.19, 6.36 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   15 GLU  HN           14 ILE  HN          3.50    (#    747:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 747, nxpk= 10, iat= 237, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ARG  HN           14 ILE  HN          3.80    (#    749:10        Unique  3.26, 3.28 A)
 &rst
  ixpk= 749, nxpk= 10, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   11 GLU  HA           14 ILE  HN          5.00    (#    750:10        Unique  4.74, 5.00 A)
 &rst
  ixpk= 750, nxpk= 10, iat= 164, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ARG  HA           14 ILE  HN          4.00    (#    751:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 196, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  HA           14 ILE  HN          3.50    (#    752:10        Unique  2.69, 2.70 A)
 &rst
  ixpk= 752, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  HB           14 ILE  HN          2.80    (#    753:10        Unique  2.12, 2.21 A)
 &rst
  ixpk= 753, nxpk= 10, iat= 222, 218, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 GLU  HB-          14 ILE  HN          5.00    (#    754:10        Unique  4.79, 5.34 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   13 ARG  HB-          14 ILE  HN          3.00    (#    755:10        Unique  1.83, 2.50 A)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   13 ARG  HB+          14 ILE  HN          3.00    (#    756:10        Unique  1.83, 2.50 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   14 ILE  QD1          14 ILE  HN          5.00    (#    757:10        Unique  3.66, 5.08 A)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  HN          4.00    (#    759:10        Unique  3.14, 4.10 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 224, 225, 226,
 &end
#
#   18 ILE  QD1          14 ILE  HN          5.40    (#    760:10        Unique  4.84, 6.17 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 294, 295, 296,
 &end
#
#   33 TYR  HD           33 TYR  HN          5.00    (#    762:10        Unique  4.56, 4.70 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 526, 535,
 &end
#
#   78 MET  ME           33 TYR  HN          3.80    (#    764:10        Unique  1.86, 3.27 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1271,1272,1273,
 &end
#
#    0 AMB  10-2:765     33 TYR  HN          5.20    (#    765:10        Single  0.00, 0.00  )
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1267,1268, 464, 465, 466,
 &end
#
#   87 GLY  HN           88 LYS  HN          3.50    (#    766:10        Unique  2.71, 2.90 A)
 &rst
  ixpk= 766, nxpk= 10, iat=1393,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HN           40 LEU  HN          3.00    (#    771:10        Unique  2.24, 2.58 A)
 &rst
  ixpk= 771, nxpk= 10, iat= 624, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 ASP  HA           40 LEU  HN          5.50    (#    774:10        Unique  4.41, 4.89 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 THR  HA           40 LEU  HN          4.00    (#    775:10        Unique  3.48, 3.55 A)
 &rst
  ixpk= 775, nxpk= 10, iat= 626, 638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:776     40 LEU  HN          3.50    (#    776:10        Single  0.00, 0.00  )
 &rst
  ixpk= 776, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 583,
 &end
#
#   39 THR  HB           40 LEU  HN          3.00    (#    777:10        Unique  2.05, 2.51 A)
 &rst
  ixpk= 777, nxpk= 10, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 LEU  MDX          40 LEU  HN          4.00    (#    778:10        Unique  2.04, 3.86 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB+          40 LEU  HN          3.00    (#    779:10        Unique  2.10, 2.83 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   39 THR  MG2          40 LEU  HN          4.00    (#    780:10        Unique  2.83, 3.94 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 630, 631, 632,
 &end
#
#   40 LEU  HB-          40 LEU  HN          3.50    (#    784:10        Unique  2.10, 2.83 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 643,
 &end
#
#    0 AMB  10-2:785    109 THR  HN          5.00    (#    785:10        Single  0.00, 0.00  )
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1728,1729,1745,1746,
 &end
#
#   44 PHE  HD           45 MET  HN          4.00    (#    786:10        Unique  3.09, 4.69 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#   45 MET  HA           45 MET  HN          3.50    (#    787:10        Unique  2.87, 2.88 A)
 &rst
  ixpk= 787, nxpk= 10, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PHE  HA           45 MET  HN          2.80    (#    788:10        Unique  2.15, 2.18 A)
 &rst
  ixpk= 788, nxpk= 10, iat= 708, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HB-          45 MET  HN          4.00    (#    789:10        Unique  3.01, 3.77 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 710, 711,
 &end
#
#   45 MET  HG+          45 MET  HN          4.00    (#    790:10        Unique  3.12, 3.34 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#   45 MET  HG-          45 MET  HN          4.00    (#    791:10        Unique  3.12, 3.34 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#   45 MET  HB-          45 MET  HN          3.50    (#    792:10        Unique  2.15, 2.87 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 730, 731,
 &end
#
#   45 MET  HB+          45 MET  HN          3.80    (#    793:10        Unique  2.15, 2.87 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 730, 731,
 &end
#
#  103 ILE  HB           45 MET  HN          5.00    (#    794:10        Unique  4.92, 5.07 A)
 &rst
  ixpk= 794, nxpk= 10, iat=1631, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:795     45 MET  HN          5.00    (#    795:10        Single  0.00, 0.00  )
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1078,1640,1641,1642,
 &end
#
#   34 TYR  HN           33 TYR  HN          3.50    (#    797:10        Unique  2.81, 2.94 A)
 &rst
  ixpk= 797, nxpk= 10, iat= 539, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HD           33 TYR  HN          6.20    (#    798:10        Unique  4.41, 6.17 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 547, 556,
 &end
#
#   32 TRP  HN           33 TYR  HN          3.50    (#    799:10        Unique  2.85, 2.99 A)
 &rst
  ixpk= 799, nxpk= 10, iat= 494, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HA           33 TYR  HN          4.00    (#    800:10        Unique  3.93, 4.18 A)
 &rst
  ixpk= 800, nxpk= 10, iat= 472, 518, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 TYR  HA           33 TYR  HN          3.50    (#    801:10        Unique  2.73, 2.77 A)
 &rst
  ixpk= 801, nxpk= 10, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 TRP  HB+          33 TYR  HN          3.50    (#    803:10        Unique  2.24, 2.77 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 498, 499,
 &end
#
#   33 TYR  HB+          33 TYR  HN          3.00    (#    805:10        Unique  2.29, 2.54 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 522, 523,
 &end
#
#   30 MET  ME           33 TYR  HN          5.00    (#    806:10        Unique  4.88, 5.96 A)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:811    109 THR  HN          3.50    (#    811:10        Single  0.00, 0.00  )
 &rst
  ixpk= 811, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1698,1674,
 &end
#
#  110 GLN  HN          109 THR  HN          3.50    (#    812:10        Unique  2.89, 2.96 A)
 &rst
  ixpk= 812, nxpk= 10, iat=1724,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HA          109 THR  HN          4.00    (#    814:10        Unique  3.56, 3.56 A)
 &rst
  ixpk= 814, nxpk= 10, iat=1700,1710, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HB          109 THR  HN          3.00    (#    815:10        Unique  2.34, 2.46 A)
 &rst
  ixpk= 815, nxpk= 10, iat=1714,1710, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HA          109 THR  HN          3.50    (#    816:10        Unique  2.77, 2.79 A)
 &rst
  ixpk= 816, nxpk= 10, iat=1712,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:817    109 THR  HN          3.50    (#    817:10        Single  0.00, 0.00  )
 &rst
  ixpk= 817, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1702,1703,1678,1679,
 &end
#
#  108 ASP  HB-         109 THR  HN          3.50    (#    818:10        Unique  2.52, 2.89 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1702,1703,
 &end
#
#    0 AMB  10-2:819    109 THR  HN          5.00    (#    819:10        Single  0.00, 0.00  )
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1662, 661, 662,1728,1729,
 &end
#
#  109 THR  MG2         109 THR  HN          4.00    (#    820:10        Unique  4.32, 4.51 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   76 LYS  HN           77 ASP  HN          2.80    (#    821:10        Unique  1.76, 1.99 A)
 &rst
  ixpk= 821, nxpk= 10, iat=1226,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 LEU  HN           77 ASP  HN          4.00    (#    822:10        Unique  2.92, 3.32 A)
 &rst
  ixpk= 822, nxpk= 10, iat=1207,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HA           77 ASP  HN          4.00    (#    825:10        Unique  3.51, 3.54 A)
 &rst
  ixpk= 825, nxpk= 10, iat=1228,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HA           77 ASP  HN          3.00    (#    826:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 826, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 ASP  HB+          77 ASP  HN          4.00    (#    827:10        Unique  2.45, 3.36 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   77 ASP  HB-          77 ASP  HN          4.00    (#    828:10        Unique  2.45, 3.36 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   76 LYS  HB+          77 ASP  HN          4.00    (#    829:10        Unique  2.35, 3.34 A)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          77 ASP  HN          4.00    (#    830:10        Unique  2.35, 3.34 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   76 LYS  HG+          77 ASP  HN          4.00    (#    832:10        Unique  1.88, 3.95 A)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1233,1234,
 &end
#
#   29 ALA  MB           77 ASP  HN          5.00    (#    833:10        Unique  3.61, 4.65 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   74 CYS  HA           77 ASP  HN          4.60    (#    834:10        Unique  2.98, 3.66 A)
 &rst
  ixpk= 834, nxpk= 10, iat=1198,1248, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   89 ASP  HA           89 ASP  HN          2.80    (#    837:10        Unique  2.28, 2.29 A)
 &rst
  ixpk= 837, nxpk= 10, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 LYS  HA           89 ASP  HN          4.00    (#    838:10        Unique  3.45, 3.48 A)
 &rst
  ixpk= 838, nxpk= 10, iat=1402,1422, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HB+          89 ASP  HN          4.00    (#    839:10        Unique  3.18, 3.69 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1426,1427,
 &end
#
#    0 AMB  10-2:840     89 ASP  HN          4.00    (#    840:10        Single  0.00, 0.00  )
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1359,1360,1426,1427,
 &end
#
#   88 LYS  HB+          89 ASP  HN          4.00    (#    841:10        Unique  2.67, 3.52 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   88 LYS  HB-          89 ASP  HN          4.00    (#    842:10        Unique  2.67, 3.52 A)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#    0 AMB  10-2:843     89 ASP  HN          5.20    (#    843:10        Single  0.00, 0.00  )
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1407,1408,1349,1350,1351,
 &end
#
#   25 LYS  HD+          25 LYS  HN          4.20    (#    844:10        Unique  1.93, 3.17 A)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 394, 395,
 &end
#
#   25 LYS  HG-          25 LYS  HN          3.50    (#    845:10        Unique  1.82, 3.07 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#   93 TYR  HN           92 VAL  HN          5.00    (#    850:10        Unique  4.27, 4.32 A)
 &rst
  ixpk= 850, nxpk= 10, iat=1474,1458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 ASP  HN           92 VAL  HN          5.00    (#    851:10        Unique  4.52, 4.56 A)
 &rst
  ixpk= 851, nxpk= 10, iat=1446,1458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:855     92 VAL  HN          2.80    (#    855:10        Single  0.00, 0.00  )
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1448,1460,
 &end
#
#   91 ASP  HB-          92 VAL  HN          3.10    (#    857:10        Unique  2.82, 3.61 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1450,1451,
 &end
#
#   92 VAL  HB           92 VAL  HN          4.00    (#    859:10        Unique  3.20, 3.55 A)
 &rst
  ixpk= 859, nxpk= 10, iat=1462,1458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 LYS  HG+          92 VAL  HN          6.60    (#    861:10        Unique  5.91, 6.82 A)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1407,1408,
 &end
#
#   83 ALA  MB           92 VAL  HN          5.00    (#    862:10        Unique  5.06, 5.99 A)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  10-2:864     92 VAL  HN          3.00    (#    864:10        Single  0.00, 0.00  )
 &rst
  ixpk= 864, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   15 GLU  HA           20 VAL  HN          5.50    (#    866:10        Unique  3.67, 3.98 A)
 &rst
  ixpk= 866, nxpk= 10, iat= 239, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:867     20 VAL  HN          5.00    (#    867:10        Single  0.00, 0.00  )
 &rst
  ixpk= 867, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 304, 244, 245,
 &end
#
#   20 VAL  HB           20 VAL  HN          5.00    (#    868:10        Unique  3.56, 3.64 A)
 &rst
  ixpk= 868, nxpk= 10, iat= 323, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  QG2          20 VAL  HN          6.00    (#    869:10        Unique  4.53, 5.02 A)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:870     20 VAL  HN          4.50    (#    870:10        Single  0.00, 0.00  )
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  10-2:871     47 LYS  HN          5.00    (#    871:10        Single  0.00, 0.00  )
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743,1043,
 &end
#
#  103 ILE  HN           47 LYS  HN          4.50    (#    872:10        Unique  3.45, 3.85 A)
 &rst
  ixpk= 872, nxpk= 10, iat=1627, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:873     47 LYS  HN          3.00    (#    873:10        Single  0.00, 0.00  )
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 745, 746, 752,
 &end
#
#   62 THR  HA           47 LYS  HN          5.50    (#    874:10        Unique  5.00, 5.17 A)
 &rst
  ixpk= 874, nxpk= 10, iat=1031, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 ALA  HA           47 LYS  HN          4.50    (#    876:10        Unique  3.61, 4.00 A)
 &rst
  ixpk= 876, nxpk= 10, iat=1619, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLY  HA+          47 LYS  HN          3.00    (#    877:10        Unique  2.15, 2.59 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 745, 746,
 &end
#
#  101 GLU  HB-          47 LYS  HN          3.50    (#    878:10        Unique  1.82, 3.03 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1607,
 &end
#
#   47 LYS  HB+          47 LYS  HN          3.50    (#    879:10        Unique  2.14, 2.70 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 754, 755,
 &end
#
#   47 LYS  HB-          47 LYS  HN          3.50    (#    880:10        Unique  2.14, 2.70 A)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 754, 755,
 &end
#
#    0 AMB  10-2:881     47 LYS  HN          4.00    (#    881:10        Single  0.00, 0.00  )
 &rst
  ixpk= 881, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1637,1638, 760, 761,
 &end
#
#    0 AMB  10-2:882     47 LYS  HN          4.00    (#    882:10        Single  0.00, 0.00  )
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1593,1594, 757, 758,
 &end
#
#  103 ILE  HG1+         47 LYS  HN          4.80    (#    883:10        Unique  2.38, 4.37 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1637,1638,
 &end
#
#  100 ILE  QG2          47 LYS  HN          4.00    (#    884:10        Unique  3.57, 4.98 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  101 GLU  HB+          47 LYS  HN          4.00    (#    885:10        Unique  1.82, 3.03 A)
 &rst
  ixpk= 885, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1606,1607,
 &end
#
#   24 ASP  HA           25 LYS  HN          2.80    (#    886:10        Unique  2.30, 2.36 A)
 &rst
  ixpk= 886, nxpk= 10, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 LYS  HA           25 LYS  HN          3.50    (#    888:10        Unique  2.73, 2.76 A)
 &rst
  ixpk= 888, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ASP  HB+          25 LYS  HN          4.00    (#    889:10        Unique  2.11, 3.36 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 376, 377,
 &end
#
#   24 ASP  HB-          25 LYS  HN          4.00    (#    890:10        Unique  2.11, 3.36 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 376, 377,
 &end
#
#   25 LYS  HB+          25 LYS  HN          3.80    (#    891:10        Unique  2.46, 3.09 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 388, 389,
 &end
#
#  107 ASP  HN          108 ASP  HN          3.00    (#    892:10        Unique  2.53, 2.59 A)
 &rst
  ixpk= 892, nxpk= 10, iat=1686,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN            0 AMB  10-1:893    3.00    (#    893:10        Single  0.00, 0.00  )
 &rst
  ixpk= 893, nxpk= 10, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1698,1674,
 &end
#
#  110 GLN  HN            0 AMB  10-1:894    4.20    (#    894:10        Single  0.00, 0.00  )
 &rst
  ixpk= 894, nxpk= 10, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1674,1698,
 &end
#
#  108 ASP  HA          108 ASP  HN          3.00    (#    895:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 895, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          108 ASP  HN          4.00    (#    896:10        Unique  3.54, 3.55 A)
 &rst
  ixpk= 896, nxpk= 10, iat=1688,1698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:898      0 AMB  10-1:898    3.00    (#    898:10        Double  0.00, 0.00  )
 &rst
  ixpk= 898, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1702,1703,1678,1679,1690,1691,
 igr2=1698,1674,
 &end
#
#  107 ASP  HB-         108 ASP  HN          3.00    (#    899:10        Unique  2.30, 2.96 A)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  108 ASP  HB-         108 ASP  HN          3.60    (#    900:10        Unique  2.07, 2.76 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1702,1703,
 &end
#
#  111 GLU  HB+         108 ASP  HN          5.00    (#    901:10        Unique  4.67, 5.58 A)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1745,1746,
 &end
#
#  105 VAL  HN          106 ASP  HN          5.00    (#    902:10        Unique  4.38, 4.44 A)
 &rst
  ixpk= 902, nxpk= 10, iat=1658,1674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 ASP  HA          106 ASP  HN          3.00    (#    903:10        Unique  2.88, 2.92 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1676,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HB          106 ASP  HN          3.00    (#    904:10        Unique  2.20, 2.55 A)
 &rst
  ixpk= 904, nxpk= 10, iat=1714,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:905      0 AMB  10-1:905    3.00    (#    905:10        Double  0.00, 0.00  )
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1678,1679,1678,1679,
 igr2=1674,1698,
 &end
#
#  105 VAL  HB          106 ASP  HN          4.20    (#    907:10        Unique  1.94, 2.15 A)
 &rst
  ixpk= 907, nxpk= 10, iat=1662,1674, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  105 VAL  MGY         106 ASP  HN          3.00    (#    908:10        Unique  2.61, 4.12 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  125 LYS  HN          124 TYR  HN          5.50    (#    910:10        Unique  2.92, 3.56 A)
 &rst
  ixpk= 910, nxpk= 10, iat=1976,1955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  123 GLY  HA-         124 TYR  HN          4.50    (#    911:10        Unique  2.25, 3.00 A)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1950,1951,
 &end
#
#  124 TYR  HB-         124 TYR  HN          4.00    (#    913:10        Unique  2.39, 3.11 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1959,1960,
 &end
#
#  123 GLY  HA+         124 TYR  HN          4.00    (#    914:10        Unique  2.25, 3.00 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1950,1951,
 &end
#
#   21 ASP  HN           20 VAL  HN          5.00    (#    916:10        Unique  3.90, 4.00 A)
 &rst
  ixpk= 916, nxpk= 10, iat= 335, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HG1+         20 VAL  HN          4.00    (#    918:10        Unique  1.73, 3.06 A)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#   19 ILE  HN           20 VAL  HN          4.00    (#    919:10        Unique  1.87, 2.20 A)
 &rst
  ixpk= 919, nxpk= 10, iat= 300, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HA           20 VAL  HN          3.80    (#    920:10        Unique  2.28, 2.28 A)
 &rst
  ixpk= 920, nxpk= 10, iat= 321, 319, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   51 LYS  HA           52 SER  HN          5.50    (#    921:10        Unique  2.14, 2.77 A)
 &rst
  ixpk= 921, nxpk= 10, iat= 842, 862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 SER  HB+          52 SER  HN          5.50    (#    922:10        Unique  3.08, 3.58 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#  123 GLY  HN          124 TYR  HN          4.20    (#    924:10        Unique  1.67, 2.92 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1948,1955, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  124 TYR  HA          124 TYR  HN          4.00    (#    926:10        Unique  2.28, 2.70 A)
 &rst
  ixpk= 926, nxpk= 10, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 TYR  HB+         124 TYR  HN          4.70    (#    927:10        Unique  2.39, 3.11 A)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1959,1960,
 &end
#
#  122 ARG  HB-         124 TYR  HN          6.80    (#    928:10        Unique  3.20, 5.40 A)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1928,1929,
 &end
#
#  108 ASP  HA          107 ASP  HN          5.40    (#    929:10        Unique  5.14, 5.20 A)
 &rst
  ixpk= 929, nxpk= 10, iat=1700,1686, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  110 GLN  HN          111 GLU  HN          4.00    (#    930:10        Unique  3.00, 3.03 A)
 &rst
  ixpk= 930, nxpk= 10, iat=1724,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          111 GLU  HN          5.00    (#    931:10        Unique  4.70, 5.68 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#  105 VAL  MGX         111 GLU  HN          6.00    (#    932:10        Unique  5.12, 7.00 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:935     63 VAL  HN          5.00    (#    935:10        Single  0.00, 0.00  )
 &rst
  ixpk= 935, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1029,1059,1345,
 &end
#
#    0 AMB  10-2:936     63 VAL  HN          4.00    (#    936:10        Single  0.00, 0.00  )
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 752, 745, 746,
 &end
#
#   62 THR  HA           63 VAL  HN          2.80    (#    937:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 937, nxpk= 10, iat=1031,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 THR  HB           63 VAL  HN          4.50    (#    938:10        Unique  3.81, 4.10 A)
 &rst
  ixpk= 938, nxpk= 10, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:939     63 VAL  HN          6.00    (#    939:10        Single  0.00, 0.00  )
 &rst
  ixpk= 939, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 776, 777, 745, 746,
 &end
#
#   45 MET  ME           63 VAL  HN          3.80    (#    940:10        Unique  2.02, 3.09 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 737, 738, 739,
 &end
#
#   48 TRP  HN           63 VAL  HN          4.50    (#    942:10        Unique  3.59, 3.91 A)
 &rst
  ixpk= 942, nxpk= 10, iat= 772,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:944     63 VAL  HN          4.00    (#    944:10        Single  0.00, 0.00  )
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#   63 VAL  MGY          63 VAL  HN          4.00    (#    945:10        Unique  2.19, 3.56 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          63 VAL  HN          3.40    (#    946:10        Unique  2.19, 3.56 A)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  108 ASP  HN          107 ASP  HN          3.00    (#    947:10        Unique  2.53, 2.59 A)
 &rst
  ixpk= 947, nxpk= 10, iat=1698,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HA          107 ASP  HN          3.00    (#    949:10        Unique  2.71, 2.74 A)
 &rst
  ixpk= 949, nxpk= 10, iat=1676,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          107 ASP  HN          3.00    (#    950:10        Unique  2.84, 2.86 A)
 &rst
  ixpk= 950, nxpk= 10, iat=1688,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HB+         107 ASP  HN          3.40    (#    951:10        Unique  2.08, 2.89 A)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1678,1679,
 &end
#
#    0 AMB  10-2:952    107 ASP  HN          3.00    (#    952:10        Single  0.00, 0.00  )
 &rst
  ixpk= 952, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1678,1679,1690,1691,
 &end
#
#  107 ASP  HB-         107 ASP  HN          3.00    (#    953:10        Unique  2.09, 2.94 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  111 GLU  HA          111 GLU  HN          3.00    (#    956:10        Unique  2.70, 2.71 A)
 &rst
  ixpk= 956, nxpk= 10, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  HN          111 GLU  HN          3.50    (#    958:10        Unique  2.87, 3.00 A)
 &rst
  ixpk= 958, nxpk= 10, iat=1756,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 GLN  HA          111 GLU  HN          4.00    (#    959:10        Unique  3.57, 3.57 A)
 &rst
  ixpk= 959, nxpk= 10, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HG+         111 GLU  HN          3.00    (#    960:10        Unique  2.11, 2.90 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1748,1749,
 &end
#
#    0 AMB  10-2:961    111 GLU  HN          3.00    (#    961:10        Single  0.00, 0.00  )
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1728,1729,1745,1746,
 &end
#
#  110 GLN  HB-         111 GLU  HN          3.00    (#    962:10        Unique  2.07, 2.75 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  114 ALA  MB          111 GLU  HN          5.00    (#    963:10        Unique  4.67, 5.86 A)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1789,1790,1791,
 &end
#
#   91 ASP  HN           90 ASP  HN          2.80    (#    966:10        Unique  1.86, 2.33 A)
 &rst
  ixpk= 966, nxpk= 10, iat=1446,1434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:969     90 ASP  HN          6.00    (#    969:10        Single  0.00, 0.00  )
 &rst
  ixpk= 969, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1407,1408,1349,1350,1351,
 &end
#
#   23 GLU  HN           24 ASP  HN          3.40    (#    973:10        Unique  1.81, 1.85 A)
 &rst
  ixpk= 973, nxpk= 10, iat= 357, 372, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   25 LYS  HN           24 ASP  HN          5.00    (#    974:10        Unique  4.53, 4.59 A)
 &rst
  ixpk= 974, nxpk= 10, iat= 384, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLU  HN           24 ASP  HN          4.00    (#    975:10        Unique  3.83, 3.93 A)
 &rst
  ixpk= 975, nxpk= 10, iat= 421, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HA           24 ASP  HN          3.00    (#    976:10        Unique  2.89, 2.89 A)
 &rst
  ixpk= 976, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 GLU  HA           24 ASP  HN          4.40    (#    977:10        Unique  3.25, 3.32 A)
 &rst
  ixpk= 977, nxpk= 10, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   22 ALA  HA           24 ASP  HN          4.40    (#    978:10        Unique  3.23, 3.30 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 349, 372, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  10-2:979     24 ASP  HN          5.50    (#    979:10        Single  0.00, 0.00  )
 &rst
  ixpk= 979, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 408,
 &end
#
#   24 ASP  HB+          24 ASP  HN          3.50    (#    980:10        Unique  2.13, 2.79 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   24 ASP  HB-          24 ASP  HN          3.80    (#    981:10        Unique  2.13, 2.79 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 376, 377,
 &end
#
#   27 GLU  HG-          24 ASP  HN          4.00    (#    982:10        Unique  3.23, 3.41 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#    0 AMB  10-2:983     24 ASP  HN          4.00    (#    983:10        Single  0.00, 0.00  )
 &rst
  ixpk= 983, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 428, 429, 364, 365,
 &end
#
#   27 GLU  HB+          24 ASP  HN          3.00    (#    984:10        Unique  1.91, 2.87 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 425, 426,
 &end
#
#   23 GLU  HB-          24 ASP  HN          5.10    (#    985:10        Unique  3.31, 3.83 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 361, 362,
 &end
#
#   22 ALA  MB           24 ASP  HN          4.60    (#    987:10        Unique  4.10, 4.81 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:990     27 GLU  HN          3.00    (#    990:10        Single  0.00, 0.00  )
 &rst
  ixpk= 990, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 423, 408,
 &end
#
#   90 ASP  HB+          90 ASP  HN          3.00    (#    992:10        Unique  2.41, 2.90 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1438,1439,
 &end
#
#    0 AMB  10-2:993     27 GLU  HN          3.00    (#    993:10        Single  0.00, 0.00  )
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 410, 411, 425, 426,
 &end
#
#   88 LYS  HB-          90 ASP  HN          3.80    (#    994:10        Unique  2.22, 3.40 A)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1404,1405,
 &end
#
#   22 ALA  MB           27 GLU  HN          5.60    (#    995:10        Unique  4.84, 5.62 A)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 351, 352, 353,
 &end
#
#   69 ALA  MB           73 GLU  HN          4.60    (#    997:10        Unique  3.97, 5.42 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1137,1138,1139,
 &end
#
#   74 CYS  HN           73 GLU  HN          3.40    (#    999:10        Unique  1.98, 2.13 A)
 &rst
  ixpk= 999, nxpk= 10, iat=1196,1181, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   74 CYS  HA           73 GLU  HN          5.60    (#   1000:10        Unique  4.61, 4.67 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=1198,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   73 GLU  HA           73 GLU  HN          3.60    (#   1002:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   72 ASP  HA           73 GLU  HN          4.10    (#   1003:10        Unique  2.82, 3.03 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=1171,1181, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   71 ASP  HA           73 GLU  HN          4.60    (#   1004:10        Unique  3.30, 3.41 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=1159,1181, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:1005    73 GLU  HN          4.60    (#   1005:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1173,1174,1200,1201,
 &end
#
#    0 AMB  10-2:1007    73 GLU  HN          4.40    (#   1007:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1185,1186,1188,1189,
 &end
#
#   73 GLU  HB-          73 GLU  HN          4.40    (#   1008:10        Unique  2.51, 3.13 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1185,1186,
 &end
#
#   70 PRO  HB-          73 GLU  HN          6.60    (#   1009:10        Unique  3.77, 5.15 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1150,1151,
 &end
#
#  109 THR  HB          110 GLN  HN          2.80    (#   1014:10        Unique  2.17, 2.22 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=1714,1724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1015   110 GLN  HN          5.00    (#   1015:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1731,1732,1748,1749,
 &end
#
#   32 TRP  HZ2          32 TRP  HE1         3.50    (#   1017:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HZ2          32 TRP  HE1         5.00    (#   1019:10        Unique  4.46, 4.65 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=1884, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  QG2          32 TRP  HE1         4.40    (#   1022:10        Unique  2.64, 4.14 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 306, 307, 308,
 &end
#
#   18 ILE  QG2          32 TRP  HE1         4.90    (#   1023:10        Unique  3.09, 3.97 A)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 287, 288, 289,
 &end
#
#   32 TRP  HD1          32 TRP  HE1         3.00    (#   1025:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 1025, nxpk= 10, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1027    32 TRP  HE1         6.40    (#   1027:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 304, 244, 245,
 &end
#
#   14 ILE  QG2          32 TRP  HE1         5.00    (#   1028:10        Unique  2.17, 4.33 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 224, 225, 226,
 &end
#
#   19 ILE  QD1          32 TRP  HE1         3.90    (#   1029:10        Unique  1.93, 2.99 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 313, 314, 315,
 &end
#
#  111 GLU  HN          110 GLN  HN          3.00    (#   1031:10        Unique  3.00, 3.03 A)
 &rst
  ixpk= 1031, nxpk= 10, iat=1741,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          110 GLN  HN          3.50    (#   1032:10        Unique  2.89, 2.96 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=1710,1724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1033     0 AMB  10-1:1033   5.60    (#   1033:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1033, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1153,1700,1743,
 igr2=1181,1724,
 &end
#
#  107 ASP  HA          110 GLN  HN          4.00    (#   1034:10        Unique  3.86, 3.93 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=1688,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 GLN  HA          110 GLN  HN          3.00    (#   1035:10        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=1726,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HA          110 GLN  HN          4.00    (#   1036:10        Unique  3.57, 3.57 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=1712,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1037   110 GLN  HN          5.00    (#   1037:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1678,1679,1702,1703,1690,1691,
 &end
#
#  110 GLN  HB+         110 GLN  HN          3.00    (#   1039:10        Unique  2.15, 2.56 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  110 GLN  HB-         110 GLN  HN          3.00    (#   1040:10        Unique  2.15, 2.56 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HN          3.00    (#   1042:10        Unique  2.60, 4.40 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   72 ASP  HA           74 CYS  HN          5.60    (#   1043:10        Unique  4.60, 4.97 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=1171,1196, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   16 THR  HN           17 GLU  HN          3.50    (#   1046:10        Unique  2.68, 2.80 A)
 &rst
  ixpk= 1046, nxpk= 10, iat= 252, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ILE  HN           17 GLU  HN          3.20    (#   1047:10        Unique  1.69, 1.77 A)
 &rst
  ixpk= 1047, nxpk= 10, iat= 281, 266, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   13 ARG  HA           17 GLU  HN          5.00    (#   1048:10        Unique  4.44, 4.51 A)
 &rst
  ixpk= 1048, nxpk= 10, iat= 196, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HG-          17 GLU  HN          4.00    (#   1049:10        Unique  2.90, 3.52 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 273, 274,
 &end
#
#   17 GLU  HB+          17 GLU  HN          4.00    (#   1050:10        Unique  2.76, 3.34 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 270, 271,
 &end
#
#   17 GLU  HB-          17 GLU  HN          4.00    (#   1051:10        Unique  2.76, 3.34 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 270, 271,
 &end
#
#   19 ILE  HG1-         17 GLU  HN          5.90    (#   1052:10        Unique  3.47, 4.96 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 310, 311,
 &end
#
#    0 AMB  10-2:1053    17 GLU  HN          4.40    (#   1053:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 310, 311, 285,
 &end
#
#    0 AMB  10-2:1054    17 GLU  HN          5.40    (#   1054:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 313, 314, 315, 258, 259, 260,
 &end
#
#   17 GLU  HA           17 GLU  HN          3.50    (#   1056:10        Unique  2.92, 2.93 A)
 &rst
  ixpk= 1056, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 THR  HB           17 GLU  HN          5.00    (#   1057:10        Unique  4.51, 4.54 A)
 &rst
  ixpk= 1057, nxpk= 10, iat= 256, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1058    74 CYS  HN          5.60    (#   1058:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1169,1133,
 &end
#
#   75 LEU  HN           74 CYS  HN          4.60    (#   1059:10        Unique  3.63, 3.93 A)
 &rst
  ixpk= 1059, nxpk= 10, iat=1207,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   71 ASP  HA           74 CYS  HN          4.60    (#   1060:10        Unique  2.82, 3.52 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=1159,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   73 GLU  HB+          74 CYS  HN          4.10    (#   1061:10        Unique  2.33, 3.01 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1185,1186,
 &end
#
#   73 GLU  HB-          74 CYS  HN          4.10    (#   1062:10        Unique  2.33, 3.01 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1185,1186,
 &end
#
#    0 AMB  10-2:1063    74 CYS  HN          6.60    (#   1063:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1157,1248,
 &end
#
#   73 GLU  HN           74 CYS  HN          3.40    (#   1064:10        Unique  1.98, 2.13 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=1181,1196, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   74 CYS  HA           74 CYS  HN          4.10    (#   1065:10        Unique  2.81, 2.86 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   73 GLU  HA           74 CYS  HN          4.60    (#   1067:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=1183,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   74 CYS  HB+          74 CYS  HN          4.40    (#   1068:10        Unique  2.45, 3.14 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1200,1201,
 &end
#
#   74 CYS  HB-          74 CYS  HN          4.40    (#   1069:10        Unique  2.45, 3.14 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1200,1201,
 &end
#
#    0 AMB  10-2:1071    74 CYS  HN          6.10    (#   1071:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1=1127,1128,1129,1150,1151,
 &end
#
#    0 AMB  10-2:1072    74 CYS  HN          5.60    (#   1072:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1072, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1214, 481, 482, 483,
 &end
#
#    0 AMB  10-2:1073    74 CYS  HN          6.60    (#   1073:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1073, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#   75 LEU  MDX          74 CYS  HN          6.60    (#   1074:10        Unique  4.09, 5.79 A)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   36 LEU  HN           37 ASP  HN          3.50    (#   1076:10        Unique  2.64, 2.77 A)
 &rst
  ixpk= 1076, nxpk= 10, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HD           37 ASP  HN          6.00    (#   1077:10        Unique  5.90, 6.92 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 547, 556,
 &end
#
#   37 ASP  HB+          37 ASP  HN          3.00    (#   1078:10        Unique  2.07, 2.67 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#   36 LEU  HB-          37 ASP  HN          4.00    (#   1080:10        Unique  2.21, 2.94 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDX          37 ASP  HN          5.00    (#   1081:10        Unique  2.52, 5.03 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   33 TYR  HA           37 ASP  HN          4.50    (#   1083:10        Unique  3.30, 3.54 A)
 &rst
  ixpk= 1083, nxpk= 10, iat= 520, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 MET  ME           37 ASP  HN          5.00    (#   1084:10        Unique  3.08, 5.15 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128,1129,
 &end
#
#   16 THR  HA           17 GLU  HN          3.50    (#   1088:10        Unique  2.87, 2.95 A)
 &rst
  ixpk= 1088, nxpk= 10, iat= 254, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1089    17 GLU  HN          6.00    (#   1089:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1089, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    5 GLU  HN            4 VAL  HN          4.20    (#   1093:10        Unique  2.30, 2.61 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  58,  42, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    3 SER  HA            4 VAL  HN          4.00    (#   1095:10        Unique  2.50, 2.60 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  33,  42, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 SER  HB+           4 VAL  HN          4.40    (#   1096:10        Unique  4.29, 4.49 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  35,  36,
 &end
#
#    0 AMB  10-2:1097     4 VAL  HN          5.00    (#   1097:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1875,1876,1926,
 &end
#
#  122 ARG  HD+           4 VAL  HN          5.00    (#   1098:10        Unique  3.80, 4.96 A)
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1934,1935,
 &end
#
#    4 VAL  HB            4 VAL  HN          4.00    (#   1099:10        Unique  2.71, 2.87 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  46,  42, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 ALA  MB            4 VAL  HN          7.00    (#   1100:10        Unique  2.68, 4.24 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  25,  26,  27,
 &end
#
#    4 VAL  MGX           4 VAL  HN          3.00    (#   1101:10        Unique  1.94, 3.75 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   36 LEU  HA           37 ASP  HN          4.00    (#   1104:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 1104, nxpk= 10, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 ASP  HN           37 ASP  HN          3.00    (#   1105:10        Unique  2.56, 2.68 A)
 &rst
  ixpk= 1105, nxpk= 10, iat= 612, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 ASP  HA           37 ASP  HN          3.50    (#   1106:10        Unique  2.78, 2.83 A)
 &rst
  ixpk= 1106, nxpk= 10, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HB+          37 ASP  HN          5.50    (#   1107:10        Unique  4.66, 4.95 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 616, 617,
 &end
#
#   37 ASP  HB-          37 ASP  HN          3.00    (#   1108:10        Unique  2.07, 2.67 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#   36 LEU  HB+          37 ASP  HN          3.50    (#   1109:10        Unique  2.21, 2.94 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDY          37 ASP  HN          5.00    (#   1110:10        Unique  2.52, 5.03 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   11 GLU  HG+          12 HIS  HN          4.50    (#   1113:10        Unique  2.52, 4.10 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 169, 170,
 &end
#
#   11 GLU  HN           12 HIS  HN          3.80    (#   1114:10        Unique  3.23, 3.32 A)
 &rst
  ixpk= 1114, nxpk= 10, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   13 ARG  HN           12 HIS  HN          3.50    (#   1115:10        Unique  2.94, 2.99 A)
 &rst
  ixpk= 1115, nxpk= 10, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 HIS  HA           12 HIS  HN          3.00    (#   1117:10        Unique  2.78, 2.81 A)
 &rst
  ixpk= 1117, nxpk= 10, iat= 179, 177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 GLU  HA           12 HIS  HN          4.00    (#   1119:10        Unique  3.56, 3.56 A)
 &rst
  ixpk= 1119, nxpk= 10, iat= 164, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 HIS  HB+          12 HIS  HN          3.00    (#   1120:10        Unique  2.22, 2.86 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB-          12 HIS  HN          3.80    (#   1121:10        Unique  2.22, 2.86 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 181, 182,
 &end
#
#   11 GLU  HB-          12 HIS  HN          3.00    (#   1122:10        Unique  1.96, 2.58 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 166, 167,
 &end
#
#   11 GLU  HG-          12 HIS  HN          4.30    (#   1123:10        Unique  2.52, 4.10 A)
 &rst
  ixpk= 1123, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 169, 170,
 &end
#
#    0 AMB  10-2:1124    12 HIS  HN          4.00    (#   1124:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 113, 114, 241, 242,
 &end
#
#   13 ARG  HG+          12 HIS  HN          5.00    (#   1126:10        Unique  4.18, 4.90 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 201, 202,
 &end
#
#   19 ILE  HN           18 ILE  HN          3.40    (#   1128:10        Unique  2.04, 2.44 A)
 &rst
  ixpk= 1128, nxpk= 10, iat= 300, 281, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   16 THR  HN           18 ILE  HN          5.40    (#   1129:10        Unique  4.21, 4.30 A)
 &rst
  ixpk= 1129, nxpk= 10, iat= 252, 281, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   17 GLU  HN           18 ILE  HN          3.20    (#   1130:10        Unique  1.69, 1.77 A)
 &rst
  ixpk= 1130, nxpk= 10, iat= 266, 281, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   17 GLU  HA           18 ILE  HN          4.40    (#   1131:10        Unique  3.46, 3.49 A)
 &rst
  ixpk= 1131, nxpk= 10, iat= 268, 281, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   16 THR  HB           18 ILE  HN          6.90    (#   1132:10        Unique  6.09, 6.21 A)
 &rst
  ixpk= 1132, nxpk= 10, iat= 256, 281, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#   13 ARG  HA           18 ILE  HN          6.40    (#   1133:10        Unique  5.56, 5.77 A)
 &rst
  ixpk= 1133, nxpk= 10, iat= 196, 281, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#   18 ILE  HA           18 ILE  HN          3.90    (#   1134:10        Unique  2.92, 2.93 A)
 &rst
  ixpk= 1134, nxpk= 10, iat= 283, 281, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   17 GLU  HB-          18 ILE  HN          4.40    (#   1137:10        Unique  2.65, 3.36 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 270, 271,
 &end
#
#    0 AMB  10-2:1138    18 ILE  HN          3.40    (#   1138:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1138, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 285, 310, 311,
 &end
#
#    0 AMB  10-2:1139    18 ILE  HN          6.00    (#   1139:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 291, 292, 325, 326, 327, 329, 330, 331,
 &end
#
#   18 ILE  QD1          18 ILE  HN          4.40    (#   1140:10        Unique  4.16, 4.81 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  QG2          18 ILE  HN          5.40    (#   1141:10        Unique  4.15, 4.53 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  HG1+         18 ILE  HN          4.40    (#   1142:10        Unique  2.27, 3.33 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 291, 292,
 &end
#
#   10 ARG  HB-          11 GLU  HN          3.50    (#   1147:10        Unique  1.96, 2.74 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#  116 TRP  HN          117 LEU  HN          3.50    (#   1149:10        Unique  2.52, 2.74 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=1807,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1150   117 LEU  HN          3.00    (#   1150:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1833,1768,
 &end
#
#   12 HIS  HN           11 GLU  HN          4.00    (#   1152:10        Unique  3.23, 3.32 A)
 &rst
  ixpk= 1152, nxpk= 10, iat= 177, 162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 ARG  HN           11 GLU  HN          3.00    (#   1153:10        Unique  2.42, 2.49 A)
 &rst
  ixpk= 1153, nxpk= 10, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1155    11 GLU  HN          6.00    (#   1155:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  33, 179,
 &end
#
#    8 GLU  HA           11 GLU  HN          3.50    (#   1156:10        Unique  3.42, 3.51 A)
 &rst
  ixpk= 1156, nxpk= 10, iat= 111, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLU  HG+          11 GLU  HN          4.50    (#   1157:10        Unique  1.97, 3.12 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 169, 170,
 &end
#
#   11 GLU  HG-          11 GLU  HN          4.00    (#   1158:10        Unique  1.97, 3.12 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 169, 170,
 &end
#
#    8 GLU  HB-          11 GLU  HN          5.00    (#   1159:10        Unique  4.89, 5.74 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 113, 114,
 &end
#
#   14 ILE  QG2          11 GLU  HN          5.00    (#   1161:10        Unique  4.51, 5.58 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 224, 225, 226,
 &end
#
#  118 TYR  HN          117 LEU  HN          3.50    (#   1162:10        Unique  2.70, 2.87 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=1850,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HA          117 LEU  HN          4.00    (#   1164:10        Unique  3.51, 3.56 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=1809,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 ALA  HA          117 LEU  HN          4.00    (#   1165:10        Unique  3.23, 3.45 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=1787,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HB+         117 LEU  HN          4.20    (#   1166:10        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1811,1812,
 &end
#
#  116 TRP  HB-         117 LEU  HN          3.80    (#   1167:10        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1811,1812,
 &end
#
#  117 LEU  HG          117 LEU  HN          3.00    (#   1168:10        Unique  2.16, 2.55 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=1838,1831, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HB-         117 LEU  HN          3.80    (#   1169:10        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1835,1836,
 &end
#
#    0 AMB  10-2:1170   117 LEU  HN          5.00    (#   1170:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1545,1546,1789,1790,1791,
 &end
#
#  117 LEU  MDX         117 LEU  HN          5.00    (#   1171:10        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  MDY         117 LEU  HN          5.00    (#   1172:10        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   14 ILE  HN           15 GLU  HN          3.50    (#   1173:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 1173, nxpk= 10, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 THR  HN           15 GLU  HN          3.00    (#   1174:10        Unique  2.47, 2.56 A)
 &rst
  ixpk= 1174, nxpk= 10, iat= 252, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 GLU  HG+          15 GLU  HN          4.00    (#   1175:10        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 244, 245,
 &end
#
#    0 AMB  10-2:1176    15 GLU  HN          5.00    (#   1176:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 258, 259, 260, 313, 314, 315,
 &end
#
#    0 AMB  10-2:1177     9 THR  HN          5.00    (#   1177:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  65,  66, 101, 102, 101, 102,
 &end
#
#    7 ASP  HA            9 THR  HN          5.00    (#   1180:10        Unique  3.89, 4.13 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=  99, 124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 THR  HB            9 THR  HN          3.40    (#   1183:10        Unique  2.25, 2.32 A)
 &rst
  ixpk= 1183, nxpk= 10, iat= 128, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#    0 AMB  10-2:1184     9 THR  HN          3.00    (#   1184:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 126, 111,
 &end
#
#   74 CYS  HN           72 ASP  HN          5.60    (#   1186:10        Unique  4.13, 4.52 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=1196,1169, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   73 GLU  HB-          72 ASP  HN          6.40    (#   1187:10        Unique  4.04, 4.95 A)
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1185,1186,
 &end
#
#  119 TRP  HZ2         125 LYS  HN          6.00    (#   1189:10        Unique  3.45, 5.30 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=1884,1976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  124 TYR  HN          125 LYS  HN          5.50    (#   1190:10        Unique  2.92, 3.56 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=1955,1976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  125 LYS  HB+         125 LYS  HN          4.00    (#   1192:10        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1980,1981,
 &end
#
#    0 AMB  10-2:1193   125 LYS  HN          4.00    (#   1193:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1980,1981,1986,1987,
 &end
#
#  125 LYS  HG+         125 LYS  HN          3.00    (#   1194:10        Unique  2.41, 3.50 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1983,1984,
 &end
#
#  124 TYR  HB+         125 LYS  HN          4.50    (#   1195:10        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1959,1960,
 &end
#
#  124 TYR  HE          125 LYS  HN          6.00    (#   1196:10        Unique  3.54, 4.48 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1965,1970,
 &end
#
#  121 ALA  HN          122 ARG  HN          3.50    (#   1197:10        Unique  2.65, 2.88 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=1914,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 ALA  HA          122 ARG  HN          4.00    (#   1198:10        Unique  3.41, 3.52 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=1916,1924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1199   122 ARG  HN          4.00    (#   1199:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  48,  49,  50,  52,  53,  54,1931,1932,
 &end
#
#    0 AMB  10-2:1200   113 ILE  HN          5.00    (#   1200:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1789,1790,1791,1545,1546,
 &end
#
#    0 AMB  10-2:1202   113 ILE  HN          4.00    (#   1202:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,1840,
      1841,1842,1844,1845,1846,
 &end
#
#  109 THR  MG2         113 ILE  HN          5.00    (#   1203:10        Unique  4.09, 5.16 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1716,1717,1718,
 &end
#
#  114 ALA  HN          113 ILE  HN          3.50    (#   1204:10        Unique  2.92, 2.99 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=1785,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1205   113 ILE  HN          3.00    (#   1205:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1768,1726,
 &end
#
#  113 ILE  HG1+        113 ILE  HN          3.30    (#   1206:10        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1776,1777,
 &end
#
#  113 ILE  HB          113 ILE  HN          3.00    (#   1207:10        Unique  2.42, 2.52 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=1770,1766, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB          113 ILE  HN          3.50    (#   1208:10        Unique  2.19, 3.11 A)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1760,1761,1762,
 &end
#
#  113 ILE  QG2         113 ILE  HN          4.00    (#   1209:10        Unique  4.35, 4.52 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1772,1773,1774,
 &end
#
#    0 AMB  10-2:1210   113 ILE  HN          3.30    (#   1210:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1776,1777, 647, 648, 649, 651, 652, 653,
 &end
#
#  113 ILE  QD1         113 ILE  HN          4.00    (#   1211:10        Unique  2.49, 3.51 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#   13 ARG  HN           15 GLU  HN          4.50    (#   1213:10        Unique  3.99, 4.01 A)
 &rst
  ixpk= 1213, nxpk= 10, iat= 194, 237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 HIS  HA           15 GLU  HN          4.30    (#   1215:10        Unique  3.72, 3.76 A)
 &rst
  ixpk= 1215, nxpk= 10, iat= 179, 237, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   15 GLU  HA           15 GLU  HN          3.00    (#   1217:10        Unique  2.85, 2.87 A)
 &rst
  ixpk= 1217, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ILE  HA           15 GLU  HN          4.00    (#   1218:10        Unique  3.48, 3.49 A)
 &rst
  ixpk= 1218, nxpk= 10, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HB+          15 GLU  HN          3.00    (#   1219:10        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1219, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   15 GLU  HB-          15 GLU  HN          3.00    (#   1220:10        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1220, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   13 ARG  HB+          15 GLU  HN          5.00    (#   1221:10        Unique  4.33, 4.73 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 198, 199,
 &end
#
#   14 ILE  QD1          15 GLU  HN          5.00    (#   1222:10        Unique  5.33, 6.04 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          15 GLU  HN          3.00    (#   1223:10        Unique  2.16, 3.46 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 224, 225, 226,
 &end
#
#   42 PHE  HD           68 MET  HN          5.00    (#   1225:10        Unique  3.64, 5.68 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 688,
 &end
#
#    0 AMB  10-2:1228     0 AMB  10-1:1228   3.50    (#   1228:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1228, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1111,1112,  83,  84,
 igr2=1116, 124,
 &end
#
#   68 MET  HG+          68 MET  HN          4.50    (#   1230:10        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1123,1124,
 &end
#
#   68 MET  HB+          68 MET  HN          4.00    (#   1231:10        Unique  2.77, 3.46 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#    8 GLU  HB-           9 THR  HN          4.00    (#   1232:10        Unique  3.41, 3.97 A)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 113, 114,
 &end
#
#   68 MET  HB-          68 MET  HN          4.00    (#   1233:10        Unique  2.77, 3.46 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   67 GLY  HA-          68 MET  HN          3.50    (#   1234:10        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1234, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1111,1112,
 &end
#
#   71 ASP  HN           72 ASP  HN          3.50    (#   1241:10        Unique  2.54, 2.72 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=1157,1169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HN           72 ASP  HN          3.60    (#   1242:10        Unique  2.45, 2.85 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=1181,1169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   73 GLU  HA           72 ASP  HN          6.10    (#   1243:10        Unique  5.02, 5.18 A)
 &rst
  ixpk= 1243, nxpk= 10, iat=1183,1169, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#   70 PRO  HA           72 ASP  HN          4.00    (#   1244:10        Unique  3.82, 3.93 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=1153,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP  HA           72 ASP  HN          3.00    (#   1245:10        Unique  2.77, 2.89 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ASP  HA           72 ASP  HN          4.00    (#   1246:10        Unique  3.28, 3.41 A)
 &rst
  ixpk= 1246, nxpk= 10, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP  HB+          72 ASP  HN          3.50    (#   1247:10        Unique  2.56, 3.20 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1173,1174,
 &end
#
#   72 ASP  HB-          72 ASP  HN          3.60    (#   1248:10        Unique  2.56, 3.20 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1173,1174,
 &end
#
#   70 PRO  HB+          72 ASP  HN          3.50    (#   1249:10        Unique  2.20, 3.11 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1150,1151,
 &end
#
#    0 AMB  10-2:1250    72 ASP  HN          5.60    (#   1250:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1188,1189,1185,1186,
 &end
#
#    0 AMB  10-2:1251    72 ASP  HN          3.80    (#   1251:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1150,1151,1161,1162,
 &end
#
#  124 TYR  HD          125 LYS  HN          4.80    (#   1253:10        Unique  1.88, 3.26 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1963,1972,
 &end
#
#  124 TYR  HA          125 LYS  HN          5.00    (#   1255:10        Unique  2.89, 3.34 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=1957,1976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HB-         125 LYS  HN          4.60    (#   1257:10        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1959,1960,
 &end
#
#  123 GLY  HN          122 ARG  HN          3.50    (#   1259:10        Unique  2.66, 2.82 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=1948,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 ARG  HA          122 ARG  HN          3.50    (#   1264:10        Unique  2.75, 2.85 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=1926,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 GLY  HA-         122 ARG  HN          5.40    (#   1265:10        Unique  4.85, 5.15 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1950,1951,
 &end
#
#  122 ARG  HD+         122 ARG  HN          5.00    (#   1266:10        Unique  2.64, 4.67 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1934,1935,
 &end
#
#  121 ALA  MB          122 ARG  HN          3.00    (#   1267:10        Unique  2.35, 3.41 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  122 ARG  HB+         122 ARG  HN          3.00    (#   1269:10        Unique  2.07, 2.64 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#  122 ARG  HB-         122 ARG  HN          3.00    (#   1270:10        Unique  2.07, 2.64 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#   67 GLY  HN           68 MET  HN          4.20    (#   1271:10        Unique  1.83, 3.33 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   78 MET  HA           78 MET  HN          3.50    (#   1275:10        Unique  2.84, 2.88 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ASP  HB-          78 MET  HN          4.00    (#   1276:10        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#    0 AMB  10-2:1277    78 MET  HN          5.00    (#   1277:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  116 TRP  HZ2          78 MET  HN          3.50    (#   1278:10        Unique  2.28, 2.99 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=1820,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ASP  HA           78 MET  HN          2.80    (#   1280:10        Unique  2.16, 2.26 A)
 &rst
  ixpk= 1280, nxpk= 10, iat=1250,1260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   78 MET  HG-          78 MET  HN          3.50    (#   1281:10        Unique  1.95, 3.05 A)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1267,1268,
 &end
#
#    0 AMB  10-2:1283    82 VAL  HN          4.00    (#   1283:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1283, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1474,1509,
 &end
#
#    0 AMB  10-2:1284    82 VAL  HN          5.00    (#   1284:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1314,1495,
 &end
#
#   82 VAL  HA           82 VAL  HN          3.50    (#   1285:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 1285, nxpk= 10, iat=1331,1329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  HA           82 VAL  HN          4.00    (#   1286:10        Unique  2.97, 3.20 A)
 &rst
  ixpk= 1286, nxpk= 10, iat=1497,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HA           82 VAL  HN          2.80    (#   1287:10        Unique  2.14, 2.16 A)
 &rst
  ixpk= 1287, nxpk= 10, iat=1316,1329, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   81 GLU  HG-          82 VAL  HN          5.40    (#   1290:10        Unique  4.03, 4.63 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1321,1322,
 &end
#
#   83 ALA  MB           82 VAL  HN          5.50    (#   1291:10        Unique  5.44, 6.33 A)
 &rst
  ixpk= 1291, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1349,1350,1351,
 &end
#
#   94 THR  MG2          82 VAL  HN          5.00    (#   1292:10        Unique  4.21, 5.40 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1501,1502,1503,
 &end
#
#    0 AMB  10-2:1293    82 VAL  HN          5.00    (#   1293:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  MGY          82 VAL  HN          4.00    (#   1294:10        Unique  2.05, 3.72 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  MGX          82 VAL  HN          3.00    (#   1295:10        Unique  2.05, 3.72 A)
 &rst
  ixpk= 1295, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   78 MET  ME           78 MET  HN          4.50    (#   1297:10        Unique  2.47, 4.10 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1271,1272,1273,
 &end
#
#    0 AMB  10-2:1298    78 MET  HN          5.00    (#   1298:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1550,1551,1552,1554,1555,1556,1127,1128,1129,
 &end
#
#   78 MET  HB-          78 MET  HN          3.50    (#   1299:10        Unique  2.28, 3.10 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:1300    78 MET  HN          5.00    (#   1300:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1826,1965,1970,
 &end
#
#   78 MET  HB+          78 MET  HN          3.50    (#   1301:10        Unique  2.28, 3.10 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:1302    94 THR  HN          4.00    (#   1302:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1509,1474,
 &end
#
#    0 AMB  10-2:1303    94 THR  HN          5.00    (#   1303:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1482,1491,1287,1292,
 &end
#
#    0 AMB  10-2:1304    94 THR  HN          4.50    (#   1304:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 787,1285,1294,
 &end
#
#   94 THR  HA           94 THR  HN          3.50    (#   1305:10        Unique  2.93, 2.95 A)
 &rst
  ixpk= 1305, nxpk= 10, iat=1497,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HA           94 THR  HN          2.80    (#   1306:10        Unique  2.21, 2.45 A)
 &rst
  ixpk= 1306, nxpk= 10, iat=1476,1495, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   94 THR  HB           94 THR  HN          3.00    (#   1309:10        Unique  2.95, 3.06 A)
 &rst
  ixpk= 1309, nxpk= 10, iat=1499,1495, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 TYR  HB+          94 THR  HN          4.00    (#   1310:10        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1478,1479,
 &end
#
#   93 TYR  HB-          94 THR  HN          3.00    (#   1311:10        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1478,1479,
 &end
#
#    0 AMB  10-2:1312    94 THR  HN          4.00    (#   1312:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1312, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1501,1502,1503,1526,1527,
 &end
#
#   82 VAL  MGX          94 THR  HN          5.00    (#   1313:10        Unique  4.75, 7.00 A)
 &rst
  ixpk= 1313, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    2 ALA  HA            3 SER  HN          5.00    (#   1315:10        Unique  2.15, 2.50 A)
 &rst
  ixpk= 1315, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1316   120 LEU  HN          2.80    (#   1316:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1914,1871,
 &end
#
#  119 TRP  HD1         120 LEU  HN          3.50    (#   1317:10        Unique  2.50, 2.70 A)
 &rst
  ixpk= 1317, nxpk= 10, iat=1879,1895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HA          120 LEU  HN          4.00    (#   1318:10        Unique  3.42, 3.45 A)
 &rst
  ixpk= 1318, nxpk= 10, iat=1873,1895, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HA          120 LEU  HN          3.00    (#   1319:10        Unique  2.88, 2.91 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=1897,1895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  121 ALA  MB          120 LEU  HN          4.20    (#   1320:10        Unique  4.08, 4.95 A)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1918,1919,1920,
 &end
#
#  120 LEU  HB-         120 LEU  HN          3.00    (#   1321:10        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#    0 AMB  10-2:1322   120 LEU  HN          5.00    (#   1322:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   33 TYR  HN           34 TYR  HN          3.50    (#   1323:10        Unique  2.81, 2.94 A)
 &rst
  ixpk= 1323, nxpk= 10, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           34 TYR  HN          3.50    (#   1324:10        Unique  2.99, 3.06 A)
 &rst
  ixpk= 1324, nxpk= 10, iat= 560, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HD           34 TYR  HN          4.00    (#   1325:10        Unique  1.98, 3.56 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#    0 AMB  10-2:1326    34 TYR  HN          4.80    (#   1326:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 549, 554, 528, 533,
 &end
#
#   33 TYR  HD           34 TYR  HN          4.00    (#   1327:10        Unique  3.44, 4.11 A)
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 526, 535,
 &end
#
#   30 MET  HA           34 TYR  HN          4.00    (#   1328:10        Unique  3.62, 3.90 A)
 &rst
  ixpk= 1328, nxpk= 10, iat= 472, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 TYR  HA           34 TYR  HN          3.50    (#   1329:10        Unique  2.68, 2.71 A)
 &rst
  ixpk= 1329, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           34 TYR  HN          4.00    (#   1330:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 1330, nxpk= 10, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 TYR  HB+          34 TYR  HN          3.00    (#   1331:10        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   34 TYR  HB-          34 TYR  HN          3.00    (#   1332:10        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   33 TYR  HB+          34 TYR  HN          4.40    (#   1333:10        Unique  2.27, 3.09 A)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 522, 523,
 &end
#
#    0 AMB  10-2:1334    34 TYR  HN          6.00    (#   1334:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 474, 475, 604, 605,1123,1124,
 &end
#
#   30 MET  ME           34 TYR  HN          6.00    (#   1335:10        Unique  5.56, 6.50 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:1336    39 THR  HN          4.00    (#   1336:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 583, 640,
 &end
#
#   40 LEU  MDX          39 THR  HN          6.00    (#   1337:10        Unique  4.02, 5.94 A)
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HN           39 THR  HN          3.00    (#   1338:10        Unique  2.24, 2.58 A)
 &rst
  ixpk= 1338, nxpk= 10, iat= 638, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 ASP  HA           39 THR  HN          4.00    (#   1340:10        Unique  3.47, 3.52 A)
 &rst
  ixpk= 1340, nxpk= 10, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  HA           39 THR  HN          3.50    (#   1341:10        Unique  2.83, 2.87 A)
 &rst
  ixpk= 1341, nxpk= 10, iat= 626, 624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HB           39 THR  HN          3.00    (#   1342:10        Unique  2.30, 2.38 A)
 &rst
  ixpk= 1342, nxpk= 10, iat= 628, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 ASP  HB+          39 THR  HN          3.80    (#   1343:10        Unique  2.47, 3.29 A)
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB-          39 THR  HN          3.80    (#   1344:10        Unique  2.47, 3.29 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 616, 617,
 &end
#
#  112 ALA  MB           39 THR  HN          5.00    (#   1345:10        Unique  5.45, 5.99 A)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#   40 LEU  MDY          39 THR  HN          6.00    (#   1346:10        Unique  4.02, 5.94 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  10-2:1348    57 THR  HN          4.50    (#   1348:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1348, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 935,
 &end
#
#   74 CYS  HA           76 LYS  HN          4.60    (#   1350:10        Unique  3.07, 3.24 A)
 &rst
  ixpk= 1350, nxpk= 10, iat=1198,1226, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   76 LYS  HB+          76 LYS  HN          4.00    (#   1351:10        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   77 ASP  HN           76 LYS  HN          2.80    (#   1352:10        Unique  1.76, 1.99 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=1248,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 LEU  HN           76 LYS  HN          2.80    (#   1353:10        Unique  1.75, 2.00 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 LYS  HA           76 LYS  HN          3.50    (#   1355:10        Unique  2.80, 2.88 A)
 &rst
  ixpk= 1355, nxpk= 10, iat=1228,1226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 LEU  HA           76 LYS  HN          4.00    (#   1357:10        Unique  3.03, 3.24 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1358    76 LYS  HN          4.00    (#   1358:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1230,1231,1211,1212,
 &end
#
#    0 AMB  10-2:1359    76 LYS  HN          5.30    (#   1359:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1359, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1=1214, 481, 482, 483,
 &end
#
#    0 AMB  10-2:1360    76 LYS  HN          3.00    (#   1360:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1360, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,1211,1212,
 &end
#
#   29 ALA  MB           76 LYS  HN          3.80    (#   1361:10        Unique  2.06, 3.14 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 464, 465, 466,
 &end
#
#   29 ALA  HN           30 MET  HN          3.00    (#   1363:10        Unique  2.63, 2.69 A)
 &rst
  ixpk= 1363, nxpk= 10, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 MET  HA           30 MET  HN          3.50    (#   1364:10        Unique  2.79, 2.80 A)
 &rst
  ixpk= 1364, nxpk= 10, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1365    30 MET  HN          4.00    (#   1365:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 423, 408,
 &end
#
#   30 MET  HB+          30 MET  HN          3.50    (#   1367:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#    0 AMB  10-2:1368    30 MET  HN          4.00    (#   1368:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 522, 523,
 &end
#
#   30 MET  HB-          30 MET  HN          3.80    (#   1369:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 474, 475,
 &end
#
#   30 MET  HG+          30 MET  HN          3.50    (#   1370:10        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   30 MET  HG-          30 MET  HN          3.50    (#   1371:10        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   30 MET  ME           30 MET  HN          3.80    (#   1372:10        Unique  2.31, 3.27 A)
 &rst
  ixpk= 1372, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 481, 482, 483,
 &end
#
#   29 ALA  MB           30 MET  HN          3.00    (#   1373:10        Unique  2.75, 3.57 A)
 &rst
  ixpk= 1373, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   85 ILE  HN           86 GLY  HN          4.00    (#   1376:10        Unique  3.31, 3.44 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=1367,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 GLY  HN           86 GLY  HN          2.80    (#   1377:10        Unique  1.84, 1.88 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=1393,1386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   84 ASP  HA           86 GLY  HN          4.00    (#   1378:10        Unique  3.93, 4.05 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=1357,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HA           86 GLY  HN          3.50    (#   1380:10        Unique  2.61, 2.64 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=1369,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 GLY  HA+          86 GLY  HN          3.00    (#   1381:10        Unique  2.71, 2.81 A)
 &rst
  ixpk= 1381, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1388,1389,
 &end
#
#    0 AMB  10-2:1382    86 GLY  HN          5.00    (#   1382:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#   65 VAL  HN           44 PHE  HN          3.50    (#   1383:10        Unique  2.61, 2.89 A)
 &rst
  ixpk= 1383, nxpk= 10, iat=1074, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HN           44 PHE  HN          5.00    (#   1384:10        Unique  4.07, 4.16 A)
 &rst
  ixpk= 1384, nxpk= 10, iat= 726, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HD           44 PHE  HN          4.00    (#   1385:10        Unique  2.96, 3.99 A)
 &rst
  ixpk= 1385, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#   43 PRO  HA           44 PHE  HN          2.80    (#   1386:10        Unique  2.24, 2.28 A)
 &rst
  ixpk= 1386, nxpk= 10, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HA           44 PHE  HN          3.50    (#   1388:10        Unique  2.86, 2.87 A)
 &rst
  ixpk= 1388, nxpk= 10, iat= 708, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PHE  HA           44 PHE  HN          3.50    (#   1389:10        Unique  2.76, 2.89 A)
 &rst
  ixpk= 1389, nxpk= 10, iat= 674, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PHE  HB-          44 PHE  HN          4.00    (#   1391:10        Unique  3.06, 3.63 A)
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 710, 711,
 &end
#
#   42 PHE  HB-          44 PHE  HN          5.50    (#   1392:10        Unique  4.06, 4.72 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          44 PHE  HN          5.50    (#   1393:10        Unique  4.06, 4.72 A)
 &rst
  ixpk= 1393, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 676, 677,
 &end
#
#   43 PRO  HB+          44 PHE  HN          3.80    (#   1394:10        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          44 PHE  HN          3.80    (#   1395:10        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 699, 700,
 &end
#
#   65 VAL  HB           44 PHE  HN          3.50    (#   1396:10        Unique  1.70, 2.08 A)
 &rst
  ixpk= 1396, nxpk= 10, iat=1078, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  MDX          44 PHE  HN          5.00    (#   1397:10        Unique  4.54, 7.00 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   65 VAL  MGX          44 PHE  HN          4.00    (#   1398:10        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   76 LYS  HN           75 LEU  HN          2.80    (#   1399:10        Unique  1.75, 2.00 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=1226,1207, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 ASP  HN           75 LEU  HN          4.00    (#   1400:10        Unique  2.92, 3.32 A)
 &rst
  ixpk= 1400, nxpk= 10, iat=1248,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 GLU  HN           75 LEU  HN          5.60    (#   1401:10        Unique  4.79, 4.95 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   74 CYS  HA           75 LEU  HN          3.60    (#   1403:10        Unique  2.27, 2.44 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=1198,1207, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   75 LEU  HA           75 LEU  HN          3.00    (#   1405:10        Unique  2.28, 2.87 A)
 &rst
  ixpk= 1405, nxpk= 10, iat=1209,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HB-          75 LEU  HN          5.10    (#   1406:10        Unique  1.88, 4.09 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1200,1201,
 &end
#
#    0 AMB  10-2:1407    75 LEU  HN          5.60    (#   1407:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1230,1231,1188,1189,
 &end
#
#   75 LEU  HB-          75 LEU  HN          4.00    (#   1408:10        Unique  2.48, 3.32 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#   30 MET  ME           75 LEU  HN          4.30    (#   1409:10        Unique  1.96, 5.06 A)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:1410    75 LEU  HN          3.50    (#   1410:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1410, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1211,1212,1233,1234,
 &end
#
#   29 ALA  MB           75 LEU  HN          4.40    (#   1411:10        Unique  1.93, 3.65 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 464, 465, 466,
 &end
#
#   75 LEU  MDX          75 LEU  HN          4.00    (#   1412:10        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   64 GLU  HG-          44 PHE  HN          4.00    (#   1416:10        Unique  2.91, 4.24 A)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1066,1067,
 &end
#
#   40 LEU  MDX          38 ASP  HN          6.00    (#   1419:10        Unique  5.64, 7.06 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HN           38 ASP  HN          5.00    (#   1420:10        Unique  4.00, 4.37 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 638, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 ASP  HA           38 ASP  HN          3.00    (#   1422:10        Unique  2.73, 2.78 A)
 &rst
  ixpk= 1422, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1423    38 ASP  HN          4.00    (#   1423:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1423, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 562, 602,
 &end
#
#   39 THR  HA           38 ASP  HN          6.00    (#   1424:10        Unique  5.19, 5.35 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 626, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 THR  HB           38 ASP  HN          5.00    (#   1426:10        Unique  4.79, 4.89 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 ASP  HB+          38 ASP  HN          3.00    (#   1428:10        Unique  2.20, 2.54 A)
 &rst
  ixpk= 1428, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1429    38 ASP  HN          3.00    (#   1429:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1429, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 616, 617, 604, 605,
 &end
#
#   37 ASP  HB-          38 ASP  HN          4.00    (#   1430:10        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#    0 AMB  10-2:1431    38 ASP  HN          5.00    (#   1431:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   37 ASP  HN           38 ASP  HN          3.00    (#   1432:10        Unique  2.56, 2.68 A)
 &rst
  ixpk= 1432, nxpk= 10, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 VAL  HN           19 ILE  HN          4.00    (#   1435:10        Unique  1.87, 2.20 A)
 &rst
  ixpk= 1435, nxpk= 10, iat= 319, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ILE  HN           19 ILE  HN          3.40    (#   1436:10        Unique  2.04, 2.44 A)
 &rst
  ixpk= 1436, nxpk= 10, iat= 281, 300, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   19 ILE  HA           19 ILE  HN          3.90    (#   1437:10        Unique  2.85, 2.92 A)
 &rst
  ixpk= 1437, nxpk= 10, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#    0 AMB  10-2:1438    19 ILE  HN          4.60    (#   1438:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1438, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 239, 496,
 &end
#
#   19 ILE  HB           19 ILE  HN          4.40    (#   1439:10        Unique  3.29, 3.52 A)
 &rst
  ixpk= 1439, nxpk= 10, iat= 304, 300, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   19 ILE  HG1-         19 ILE  HN          3.40    (#   1440:10        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1440, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 310, 311,
 &end
#
#    0 AMB  10-2:1441    19 ILE  HN          3.40    (#   1441:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1441, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 310, 311, 285,
 &end
#
#   19 ILE  QD1          19 ILE  HN          3.90    (#   1442:10        Unique  1.89, 3.12 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  QG2          19 ILE  HN          4.40    (#   1443:10        Unique  2.69, 3.95 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 306, 307, 308,
 &end
#
#   18 ILE  QG2          19 ILE  HN          4.40    (#   1444:10        Unique  2.49, 3.81 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 287, 288, 289,
 &end
#
#   14 ILE  HA           19 ILE  HN          5.90    (#   1445:10        Unique  4.61, 5.20 A)
 &rst
  ixpk= 1445, nxpk= 10, iat= 220, 300, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#    0 AMB  10-2:1446    19 ILE  HN          7.00    (#   1446:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1446, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331, 291, 292,
 &end
#
#   18 ILE  QD1          19 ILE  HN          6.40    (#   1447:10        Unique  4.32, 5.46 A)
 &rst
  ixpk= 1447, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 294, 295, 296,
 &end
#
#   97 LEU  HN           80 VAL  HN          5.00    (#   1449:10        Unique  3.49, 4.13 A)
 &rst
  ixpk= 1449, nxpk= 10, iat=1541,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HA           80 VAL  HN          3.00    (#   1451:10        Unique  2.28, 2.46 A)
 &rst
  ixpk= 1451, nxpk= 10, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 VAL  HA           80 VAL  HN          3.50    (#   1452:10        Unique  2.90, 2.91 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 ALA  HA           80 VAL  HN          4.70    (#   1453:10        Unique  2.63, 3.03 A)
 &rst
  ixpk= 1453, nxpk= 10, iat=1511,1298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    0 AMB  10-2:1455    80 VAL  HN          4.10    (#   1455:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1281,1282,1281,1282,
 &end
#
#   94 THR  MG2          80 VAL  HN          3.50    (#   1457:10        Unique  3.05, 4.10 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1501,1502,1503,
 &end
#
#   80 VAL  MGY          80 VAL  HN          4.00    (#   1458:10        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  MGX          80 VAL  HN          3.00    (#   1459:10        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1460    80 VAL  HN          5.00    (#   1460:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1513,1514,1515,1596,1597,1598,
 &end
#
#  113 ILE  QG2         110 GLN  HE2+        5.50    (#   1461:10        Unique  2.45, 4.87 A)
 &rst
  ixpk= 1461, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1772,1773,1774,
 igr2=1736,1737,
 &end
#
#  107 ASP  HA          110 GLN  HE2+        6.60    (#   1464:10        Unique  5.71, 6.91 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1736,1737,
 &end
#
#  110 GLN  HA          110 GLN  HE2+        4.00    (#   1465:10        Unique  1.95, 3.11 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1736,1737,
 &end
#
#  110 GLN  HG+         110 GLN  HE2+        4.00    (#   1466:10        Unique  2.28, 3.37 A)
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1731,1732,
 igr2=1736,1737,
 &end
#
#  113 ILE  HG1+        110 GLN  HE2+        5.00    (#   1467:10        Unique  4.30, 5.90 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1776,1777,
 igr2=1736,1737,
 &end
#
#  113 ILE  HB          110 GLN  HE2+        4.00    (#   1468:10        Unique  2.21, 3.27 A)
 &rst
  ixpk= 1468, nxpk= 10, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1736,1737,
 &end
#
#  114 ALA  MB          110 GLN  HE2+        4.00    (#   1469:10        Unique  1.92, 3.34 A)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1789,1790,1791,
 igr2=1736,1737,
 &end
#
#  102 ALA  MB          110 GLN  HE2+        5.50    (#   1471:10        Unique  3.26, 5.00 A)
 &rst
  ixpk= 1471, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1621,1622,1623,
 igr2=1736,1737,
 &end
#
#  105 VAL  MGX         110 GLN  HE2+        4.00    (#   1472:10        Unique  4.68, 7.16 A)
 &rst
  ixpk= 1472, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1736,1737,
 &end
#
#  110 GLN  HA          110 GLN  HE2-        3.50    (#   1474:10        Unique  1.95, 3.11 A)
 &rst
  ixpk= 1474, nxpk= 10, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1736,1737,
 &end
#
#  110 GLN  HG+         110 GLN  HE2-        4.00    (#   1475:10        Unique  2.28, 3.37 A)
 &rst
  ixpk= 1475, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1731,1732,
 igr2=1736,1737,
 &end
#
#  114 ALA  MB          110 GLN  HE2-        4.00    (#   1476:10        Unique  1.92, 3.34 A)
 &rst
  ixpk= 1476, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1789,1790,1791,
 igr2=1736,1737,
 &end
#
#  102 ALA  MB          110 GLN  HE2-        5.50    (#   1477:10        Unique  3.26, 5.00 A)
 &rst
  ixpk= 1477, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1621,1622,1623,
 igr2=1736,1737,
 &end
#
#  113 ILE  QG2         110 GLN  HE2-        5.50    (#   1478:10        Unique  2.45, 4.87 A)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1772,1773,1774,
 igr2=1736,1737,
 &end
#
#  105 VAL  MGX         110 GLN  HE2-        5.50    (#   1479:10        Unique  4.68, 7.16 A)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1736,1737,
 &end
#
#   32 TRP  HN           31 GLY  HN          3.50    (#   1484:10        Unique  2.81, 2.88 A)
 &rst
  ixpk= 1484, nxpk= 10, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLY  HA+          31 GLY  HN          3.00    (#   1486:10        Unique  2.29, 2.55 A)
 &rst
  ixpk= 1486, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 489, 490,
 &end
#
#   28 ARG  HA           31 GLY  HN          4.50    (#   1487:10        Unique  3.61, 3.79 A)
 &rst
  ixpk= 1487, nxpk= 10, iat= 438, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLY  HA-          31 GLY  HN          3.00    (#   1488:10        Unique  2.29, 2.55 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 489, 490,
 &end
#
#   30 MET  HB-          31 GLY  HN          3.50    (#   1489:10        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HG+          31 GLY  HN          4.20    (#   1490:10        Unique  3.92, 4.36 A)
 &rst
  ixpk= 1490, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 477, 478,
 &end
#
#   30 MET  HG-          31 GLY  HN          5.00    (#   1491:10        Unique  3.92, 4.36 A)
 &rst
  ixpk= 1491, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 478,
 &end
#
#   30 MET  ME           31 GLY  HN          6.00    (#   1492:10        Unique  4.57, 5.63 A)
 &rst
  ixpk= 1492, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 481, 482, 483,
 &end
#
#   22 ALA  MB           31 GLY  HN          4.60    (#   1493:10        Unique  3.05, 3.58 A)
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 351, 352, 353,
 &end
#
#   29 ALA  MB           31 GLY  HN          5.00    (#   1494:10        Unique  5.32, 5.91 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#  104 ASP  HN          105 VAL  HN          3.00    (#   1495:10        Unique  2.51, 2.74 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HN          105 VAL  HN          5.00    (#   1496:10        Unique  4.38, 4.44 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=1674,1658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HA          105 VAL  HN          3.00    (#   1497:10        Unique  2.61, 2.74 A)
 &rst
  ixpk= 1497, nxpk= 10, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 ILE  HA          105 VAL  HN          4.00    (#   1498:10        Unique  3.44, 3.87 A)
 &rst
  ixpk= 1498, nxpk= 10, iat=1629,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HB+         105 VAL  HN          4.80    (#   1499:10        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1650,1651,
 &end
#
#  105 VAL  MGX         105 VAL  HN          3.30    (#   1500:10        Unique  2.34, 3.31 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  104 ASP  HB-         105 VAL  HN          5.00    (#   1502:10        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1502, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:1503   105 VAL  HN          4.00    (#   1503:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1662,1728,1729,
 &end
#
#  102 ALA  MB          105 VAL  HN          4.50    (#   1504:10        Unique  3.93, 5.08 A)
 &rst
  ixpk= 1504, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1621,1622,1623,
 &end
#
#  103 ILE  QG2         105 VAL  HN          5.00    (#   1505:10        Unique  4.63, 5.76 A)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1633,1634,1635,
 &end
#
#   98 SER  HA           98 SER  HN          3.50    (#   1510:10        Unique  2.81, 2.85 A)
 &rst
  ixpk= 1510, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1512    98 SER  HN          4.00    (#   1512:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1543,1521,
 &end
#
#   97 LEU  HB+          98 SER  HN          3.80    (#   1513:10        Unique  2.74, 3.31 A)
 &rst
  ixpk= 1513, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1545,1546,
 &end
#
#    0 AMB  10-2:1514    98 SER  HN          5.00    (#   1514:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1514, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 &end
#
#   86 GLY  HN           87 GLY  HN          3.00    (#   1517:10        Unique  1.84, 1.88 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=1386,1393, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 LYS  HN           87 GLY  HN          3.50    (#   1518:10        Unique  2.71, 2.90 A)
 &rst
  ixpk= 1518, nxpk= 10, iat=1400,1393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1519    87 GLY  HN          4.00    (#   1519:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1422,1367,
 &end
#
#   84 ASP  HA           87 GLY  HN          4.00    (#   1521:10        Unique  3.88, 4.00 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=1357,1393, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 GLY  HA-          87 GLY  HN          3.00    (#   1523:10        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1395,1396,
 &end
#
#   86 GLY  HA+          87 GLY  HN          3.00    (#   1524:10        Unique  2.93, 3.24 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1388,1389,
 &end
#
#   87 GLY  HA+          87 GLY  HN          3.00    (#   1525:10        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1395,1396,
 &end
#
#   84 ASP  HB+          87 GLY  HN          4.00    (#   1526:10        Unique  2.13, 3.32 A)
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#   99 ASP  HN           98 SER  HN          3.00    (#   1527:10        Unique  2.34, 2.49 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=1571,1560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1530    98 SER  HN          6.00    (#   1530:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1530, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1833,1768,
 &end
#
#   96 LYS  HB+          98 SER  HN          5.00    (#   1531:10        Unique  4.11, 4.57 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1523,1524,
 &end
#
#    0 AMB  10-2:1532    98 SER  HN          4.00    (#   1532:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1532, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1550,1551,1552,1554,1555,1556,1523,1524,
 &end
#
#    0 AMB  10-2:1533    98 SER  HN          4.00    (#   1533:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1545,1546,1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:1534    98 SER  HN          5.00    (#   1534:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1534, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1589,1590,1591,1264,1265,1548,
 &end
#
#    0 AMB  10-2:1535    98 SER  HN          4.00    (#   1535:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1535, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1304,1305,1306,1308,1309,1310,
 &end
#
#   45 MET  HA           46 GLY  HN          2.80    (#   1540:10        Unique  2.18, 2.24 A)
 &rst
  ixpk= 1540, nxpk= 10, iat= 728, 743, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 GLY  HA-          46 GLY  HN          3.50    (#   1541:10        Unique  2.58, 2.77 A)
 &rst
  ixpk= 1541, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   46 GLY  HA+          46 GLY  HN          3.50    (#   1543:10        Unique  2.58, 2.77 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   45 MET  HG+          46 GLY  HN          5.00    (#   1544:10        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#   45 MET  HB-          46 GLY  HN          4.20    (#   1545:10        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 730, 731,
 &end
#
#    0 AMB  10-2:1546    46 GLY  HN          3.50    (#   1546:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 737, 738, 739, 730, 731,
 &end
#
#   62 THR  MG2          46 GLY  HN          5.00    (#   1548:10        Unique  4.23, 5.41 A)
 &rst
  ixpk= 1548, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1035,1036,1037,
 &end
#
#   63 VAL  MGX          46 GLY  HN          5.60    (#   1550:10        Unique  2.41, 4.91 A)
 &rst
  ixpk= 1550, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   45 MET  HG-          46 GLY  HN          4.50    (#   1551:10        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1551, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 734,
 &end
#
#  122 ARG  HN          123 GLY  HN          3.50    (#   1552:10        Unique  2.66, 2.82 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=1924,1948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 ARG  HA          123 GLY  HN          3.80    (#   1553:10        Unique  2.80, 3.19 A)
 &rst
  ixpk= 1553, nxpk= 10, iat=1926,1948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  124 TYR  HN          123 GLY  HN          4.20    (#   1556:10        Unique  1.67, 2.92 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=1955,1948, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  123 GLY  HA+         123 GLY  HN          3.00    (#   1557:10        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1950,1951,
 &end
#
#  123 GLY  HA-         123 GLY  HN          3.00    (#   1558:10        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1950,1951,
 &end
#
#  121 ALA  MB          123 GLY  HN          5.00    (#   1559:10        Unique  4.59, 5.17 A)
 &rst
  ixpk= 1559, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1918,1919,1920,
 &end
#
#    0 AMB  10-2:1560   123 GLY  HN          4.00    (#   1560:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1560, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1928,1929,1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          123 GLY  HN          4.80    (#   1561:10        Unique  3.92, 4.28 A)
 &rst
  ixpk= 1561, nxpk= 10, iat=1914,1948, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  121 ALA  HA          123 GLY  HN          4.20    (#   1562:10        Unique  3.49, 3.80 A)
 &rst
  ixpk= 1562, nxpk= 10, iat=1916,1948, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   16 THR  HA           16 THR  HN          3.50    (#   1565:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1565, nxpk= 10, iat= 254, 252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 GLU  HN           16 THR  HN          3.00    (#   1566:10        Unique  2.47, 2.56 A)
 &rst
  ixpk= 1566, nxpk= 10, iat= 237, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 GLU  HN           16 THR  HN          3.50    (#   1567:10        Unique  2.68, 2.80 A)
 &rst
  ixpk= 1567, nxpk= 10, iat= 266, 252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 THR  HB           16 THR  HN          4.00    (#   1570:10        Unique  3.68, 3.71 A)
 &rst
  ixpk= 1570, nxpk= 10, iat= 256, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HB+          16 THR  HN          4.00    (#   1571:10        Unique  2.53, 3.36 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 241, 242,
 &end
#
#   15 GLU  HB-          16 THR  HN          4.00    (#   1572:10        Unique  2.53, 3.36 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 241, 242,
 &end
#
#   16 THR  MG2          16 THR  HN          3.00    (#   1573:10        Unique  2.06, 3.08 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#   44 PHE  HD           67 GLY  HN          6.00    (#   1575:10        Unique  4.87, 6.83 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 722,
 &end
#
#   80 VAL  MGY          67 GLY  HN          5.00    (#   1577:10        Unique  3.36, 4.96 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   81 GLU  HN           67 GLY  HN          4.00    (#   1579:10        Unique  3.18, 3.65 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=1314,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 MET  HN           67 GLY  HN          4.20    (#   1580:10        Unique  1.83, 3.33 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=1116,1109, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   66 LEU  HA           67 GLY  HN          4.00    (#   1581:10        Unique  3.19, 3.34 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  HA           67 GLY  HN          4.50    (#   1582:10        Unique  3.37, 3.59 A)
 &rst
  ixpk= 1582, nxpk= 10, iat=1076,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLY  HA+          67 GLY  HN          3.50    (#   1583:10        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1583, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1111,1112,
 &end
#
#   80 VAL  HB           67 GLY  HN          4.40    (#   1584:10        Unique  2.27, 3.08 A)
 &rst
  ixpk= 1584, nxpk= 10, iat=1302,1109, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   81 GLU  HB+          67 GLY  HN          5.00    (#   1586:10        Unique  3.74, 4.91 A)
 &rst
  ixpk= 1586, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
#   67 GLY  HA-          67 GLY  HN          3.50    (#   1589:10        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1111,1112,
 &end
#
#    0 AMB  10-2:1590    67 GLY  HN          4.00    (#   1590:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1590, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1097,1099,1100,1101,1103,1104,1105,1099,1100,1101,
      1103,1104,1105,
 &end
#
#   65 VAL  MGY          67 GLY  HN          3.40    (#   1591:10        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1591, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  MGX          67 GLY  HN          4.00    (#   1592:10        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1592, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           67 GLY  HN          3.00    (#   1594:10        Unique  2.00, 2.24 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 VAL  HA           67 GLY  HN          5.00    (#   1595:10        Unique  4.00, 4.64 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=1300,1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ARG  HB-           6 ARG  HN          3.00    (#   1597:10        Unique  2.38, 3.35 A)
 &rst
  ixpk= 1597, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  77,  78,
 &end
#
#    0 AMB  10-2:1599     8 GLU  HN          4.50    (#   1599:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1599, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 113, 114,  62,  63,
 &end
#
#    0 AMB  10-2:1600     0 AMB  10-1:1600   4.50    (#   1600:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  99,1476,
 igr2= 109,1474,
 &end
#
#   95 ALA  HN           80 VAL  HN          3.00    (#   1602:10        Unique  1.98, 2.28 A)
 &rst
  ixpk= 1602, nxpk= 10, iat=1509,1298, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1603    27 GLU  HN          3.00    (#   1603:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 406, 436,
 &end
#
#   72 ASP  HN           73 GLU  HN          3.60    (#   1604:10        Unique  2.45, 2.85 A)
 &rst
  ixpk= 1604, nxpk= 10, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  124 TYR  HE          124 TYR  HN          6.50    (#   1605:10        Unique  3.99, 5.10 A)
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1965,1970,
 &end
#
#  124 TYR  HD          124 TYR  HN          5.00    (#   1606:10        Unique  1.73, 3.41 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1963,1972,
 &end
#
#   92 VAL  HN           91 ASP  HN          5.00    (#   1607:10        Unique  4.52, 4.56 A)
 &rst
  ixpk= 1607, nxpk= 10, iat=1458,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLU  HN           28 ARG  HN          3.50    (#   1608:10        Unique  2.81, 2.87 A)
 &rst
  ixpk= 1608, nxpk= 10, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLY  HN           30 MET  HN          3.50    (#   1609:10        Unique  2.76, 2.84 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 487, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HN           31 GLY  HN          3.50    (#   1610:10        Unique  2.76, 2.84 A)
 &rst
  ixpk= 1610, nxpk= 10, iat= 470, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  126 PHE  HN          125 LYS  HN          3.00    (#   1611:10        Unique  1.70, 2.38 A)
 &rst
  ixpk= 1611, nxpk= 10, iat=1998,1976, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1612    27 GLU  HN          3.00    (#   1612:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1612, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 410, 411, 425, 426,
 &end
#
#  126 PHE  HN          119 TRP  HE1         5.00    (#   1613:10        Unique  5.00, 5.13 A)
 &rst
  ixpk= 1613, nxpk= 10, iat=1998,1881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HB-         119 TRP  HE1         5.40    (#   1615:10        Unique  1.95, 3.26 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1959,1960,
 &end
#
#    5 GLU  HN            6 ARG  HN          6.00    (#   1620:10        Unique  4.41, 4.47 A)
 &rst
  ixpk= 1620, nxpk= 10, iat=  58,  73, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 ASP  HN            6 ARG  HN          4.00    (#   1621:10        Unique  1.77, 1.93 A)
 &rst
  ixpk= 1621, nxpk= 10, iat=  97,  73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 GLU  HA            8 GLU  HN          3.00    (#   1622:10        Unique  2.28, 2.41 A)
 &rst
  ixpk= 1622, nxpk= 10, iat= 111, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  MG2           9 THR  HN          3.70    (#   1623:10        Unique  2.56, 3.45 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 130, 131, 132,
 &end
#
#   46 GLY  HN           45 MET  HN          5.00    (#   1624:10        Unique  4.55, 4.60 A)
 &rst
  ixpk= 1624, nxpk= 10, iat= 743, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1626    46 GLY  HN          4.50    (#   1626:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1626, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074, 772,
 &end
#
#   44 PHE  HN           65 VAL  HN          3.50    (#   1627:10        Unique  2.61, 2.89 A)
 &rst
  ixpk= 1627, nxpk= 10, iat= 706,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HN           49 LYS  HN          4.50    (#   1628:10        Unique  3.65, 3.93 A)
 &rst
  ixpk= 1628, nxpk= 10, iat=1602, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LYS  HB-          51 LYS  HN          4.50    (#   1629:10        Unique  3.14, 3.78 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:1630    57 THR  HN          5.50    (#   1630:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 950, 951, 952, 925, 926, 927,
 &end
#
#   59 GLU  HB+          59 GLU  HN          3.50    (#   1631:10        Unique  2.19, 2.90 A)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 981, 982,
 &end
#
#   59 GLU  HB-          59 GLU  HN          3.80    (#   1632:10        Unique  2.19, 2.90 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 981, 982,
 &end
#
#  112 ALA  HN          113 ILE  HN          3.50    (#   1634:10        Unique  2.87, 2.96 A)
 &rst
  ixpk= 1634, nxpk= 10, iat=1756,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ASP  HN           36 LEU  HN          3.50    (#   1635:10        Unique  2.64, 2.77 A)
 &rst
  ixpk= 1635, nxpk= 10, iat= 600, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 VAL  HB           69 ALA  HN          5.00    (#   1636:10        Unique  3.85, 4.80 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=1302,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1640     0 AMB  10-1:1640   4.00    (#   1640:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1007,1090,
 igr2=1029,1345,
 &end
#
#    5 GLU  HG+           5 GLU  HN          4.00    (#   1644:10        Unique  2.14, 3.23 A)
 &rst
  ixpk= 1644, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  65,  66,
 &end
#
#    4 VAL  HN            5 GLU  HN          4.20    (#   1645:10        Unique  2.30, 2.61 A)
 &rst
  ixpk= 1645, nxpk= 10, iat=  42,  58, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:1648    11 GLU  HN          4.00    (#   1648:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  65,  66,  65,  66, 166, 167,
 &end
#
#   12 HIS  HD2          12 HIS  HN          4.50    (#   1650:10        Unique  2.10, 3.23 A)
 &rst
  ixpk= 1650, nxpk= 10, iat= 190, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ILE  HN           16 THR  HN          6.40    (#   1653:10        Unique  4.21, 4.30 A)
 &rst
  ixpk= 1653, nxpk= 10, iat= 281, 252, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#   15 GLU  HB-          17 GLU  HN          5.00    (#   1654:10        Unique  4.86, 5.24 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   18 ILE  QD1          17 GLU  HN          5.40    (#   1655:10        Unique  5.56, 6.27 A)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 294, 295, 296,
 &end
#
#   19 ILE  QD1          18 ILE  HN          5.40    (#   1656:10        Unique  3.20, 4.70 A)
 &rst
  ixpk= 1656, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  QG2          18 ILE  HN          6.40    (#   1657:10        Unique  4.89, 6.23 A)
 &rst
  ixpk= 1657, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:1658    18 ILE  HN          5.40    (#   1658:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1658, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 273, 274, 222,
 &end
#
#   20 VAL  HN           18 ILE  HN          5.00    (#   1659:10        Unique  2.98, 3.30 A)
 &rst
  ixpk= 1659, nxpk= 10, iat= 319, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  QD1          20 VAL  HN          5.50    (#   1660:10        Unique  1.94, 4.10 A)
 &rst
  ixpk= 1660, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  HA           20 VAL  HN          5.00    (#   1661:10        Unique  3.41, 3.51 A)
 &rst
  ixpk= 1661, nxpk= 10, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1664    23 GLU  HN          6.60    (#   1664:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1664, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 421, 487,
 &end
#
#   26 GLU  HB-          26 GLU  HN          3.80    (#   1665:10        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 410, 411,
 &end
#
#    0 AMB  10-2:1666     0 AMB  10-1:1666   4.00    (#   1666:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1402,1700, 386,
 igr2=1434,1741, 421,
 &end
#
#    0 AMB  10-2:1667    28 ARG  HN          5.40    (#   1667:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1667, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 391, 392, 394, 395,1211,1212,
 &end
#
#   28 ARG  HB+          28 ARG  HN          3.00    (#   1668:10        Unique  2.06, 2.73 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 440, 441,
 &end
#
#   27 GLU  HB+          28 ARG  HN          3.00    (#   1669:10        Unique  2.56, 3.27 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 425, 426,
 &end
#
#    0 AMB  10-2:1670    28 ARG  HN          4.60    (#   1670:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1670, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 428, 429, 304, 413, 414,
 &end
#
#    0 AMB  10-2:1671     0 AMB  10-1:1671   4.00    (#   1671:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 408, 423,
 igr2= 406, 436,
 &end
#
#   29 ALA  MB           28 ARG  HN          5.00    (#   1672:10        Unique  4.70, 5.64 A)
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  10-2:1673    29 ALA  HN          5.00    (#   1673:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1673, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1271,1272,1273, 410, 411, 425, 426,
 &end
#
#   32 TRP  HB+          31 GLY  HN          5.00    (#   1674:10        Unique  4.62, 5.44 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 498, 499,
 &end
#
#   35 TYR  HE           32 TRP  HN          5.00    (#   1675:10        Unique  3.67, 6.82 A)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 570, 575,
 &end
#
#   31 GLY  HN           33 TYR  HN          5.00    (#   1676:10        Unique  4.18, 4.46 A)
 &rst
  ixpk= 1676, nxpk= 10, iat= 487, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 TRP  HB-          33 TYR  HN          3.50    (#   1679:10        Unique  2.24, 2.77 A)
 &rst
  ixpk= 1679, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 498, 499,
 &end
#
#   36 LEU  HB-          33 TYR  HN          5.40    (#   1680:10        Unique  3.95, 4.55 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 585, 586,
 &end
#
#   33 TYR  HE           37 ASP  HN          6.00    (#   1686:10        Unique  3.65, 5.34 A)
 &rst
  ixpk= 1686, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 528, 533,
 &end
#
#   34 TYR  HA           37 ASP  HN          4.50    (#   1687:10        Unique  3.85, 4.05 A)
 &rst
  ixpk= 1687, nxpk= 10, iat= 541, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1690    39 THR  HN          4.20    (#   1690:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 562, 602,
 &end
#
#    0 AMB  10-2:1691    39 THR  HN          5.00    (#   1691:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  10-2:1692    40 LEU  HN          6.00    (#   1692:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1692, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 680, 688, 716, 720,
 &end
#
#   37 ASP  HA           40 LEU  HN          4.50    (#   1694:10        Unique  3.05, 3.52 A)
 &rst
  ixpk= 1694, nxpk= 10, iat= 602, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  MDY          40 LEU  HN          4.00    (#   1696:10        Unique  2.04, 3.86 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HN           41 GLU  HN          5.00    (#   1698:10        Unique  2.78, 4.45 A)
 &rst
  ixpk= 1698, nxpk= 10, iat= 638, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HA           41 GLU  HN          3.00    (#   1699:10        Unique  2.25, 2.38 A)
 &rst
  ixpk= 1699, nxpk= 10, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 GLU  HN           42 PHE  HN          3.40    (#   1702:10        Unique  2.57, 2.65 A)
 &rst
  ixpk= 1702, nxpk= 10, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   47 LYS  HN           46 GLY  HN          5.00    (#   1708:10        Unique  4.26, 4.40 A)
 &rst
  ixpk= 1708, nxpk= 10, iat= 750, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 ILE  QD1          46 GLY  HN          5.00    (#   1710:10        Unique  3.53, 5.38 A)
 &rst
  ixpk= 1710, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1640,1641,1642,
 &end
#
#   60 GLU  HA           49 LYS  HN          5.50    (#   1716:10        Unique  4.34, 4.54 A)
 &rst
  ixpk= 1716, nxpk= 10, iat= 994, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TRP  HB+          49 LYS  HN          5.50    (#   1718:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 1718, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 776, 777,
 &end
#
#   59 GLU  HN           50 LYS  HN          4.00    (#   1719:10        Unique  2.98, 3.32 A)
 &rst
  ixpk= 1719, nxpk= 10, iat= 977, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LYS  HN           50 LYS  HN          5.50    (#   1720:10        Unique  4.14, 4.51 A)
 &rst
  ixpk= 1720, nxpk= 10, iat= 840, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TRP  HA           50 LYS  HN          5.50    (#   1722:10        Unique  5.04, 5.16 A)
 &rst
  ixpk= 1722, nxpk= 10, iat= 774, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ILE  HA           50 LYS  HN          5.20    (#   1723:10        Unique  4.16, 4.47 A)
 &rst
  ixpk= 1723, nxpk= 10, iat= 960, 818, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   50 LYS  HN           59 GLU  HN          4.00    (#   1728:10        Unique  2.98, 3.32 A)
 &rst
  ixpk= 1728, nxpk= 10, iat= 818, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 LYS  HN           60 GLU  HN          5.00    (#   1729:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 1729, nxpk= 10, iat=1007, 992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLU  HB+          60 GLU  HN          3.50    (#   1730:10        Unique  2.20, 2.97 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 996, 997,
 &end
#
#   60 GLU  HN           61 LYS  HN          5.00    (#   1731:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 1731, nxpk= 10, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 VAL  MGY          83 ALA  HN          4.80    (#   1732:10        Unique  2.28, 4.95 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   70 PRO  HA           71 ASP  HN          3.00    (#   1737:10        Unique  2.23, 2.35 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=1153,1157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 GLU  HN           71 ASP  HN          5.60    (#   1738:10        Unique  4.20, 4.55 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=1181,1157, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   75 LEU  MDY          72 ASP  HN          5.50    (#   1739:10        Unique  5.02, 6.51 A)
 &rst
  ixpk= 1739, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   93 TYR  HD           82 VAL  HN          5.50    (#   1744:10        Unique  4.27, 5.91 A)
 &rst
  ixpk= 1744, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1491,
 &end
#
#    0 AMB  10-2:1748    86 GLY  HN          5.00    (#   1748:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1748, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371,1404,1405,
 &end
#
#    0 AMB  10-2:1749    86 GLY  HN          5.00    (#   1749:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1749, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1377,1378,1407,1408,
 &end
#
#    0 AMB  10-2:1750    86 GLY  HN          5.00    (#   1750:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1750, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1377,1378,1035,1036,1037,
 &end
#
#   89 ASP  HB-          87 GLY  HN          5.80    (#   1751:10        Unique  5.10, 6.10 A)
 &rst
  ixpk= 1751, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1426,1427,
 &end
#
#    0 AMB  10-2:1752    87 GLY  HN          6.00    (#   1752:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1404,1405,1371,1011,1012,
 &end
#
#    0 AMB  10-2:1753    87 GLY  HN          6.00    (#   1753:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1753, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1407,1408,1377,1378,
 &end
#
#    0 AMB  10-2:1754    87 GLY  HN          6.00    (#   1754:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1754, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
 &end
#
#   84 ASP  HB-          88 LYS  HN          4.00    (#   1758:10        Unique  1.95, 2.88 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#   88 LYS  HN           89 ASP  HN          3.00    (#   1759:10        Unique  1.87, 2.01 A)
 &rst
  ixpk= 1759, nxpk= 10, iat=1400,1422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 LYS  HB+          90 ASP  HN          4.00    (#   1761:10        Unique  2.22, 3.40 A)
 &rst
  ixpk= 1761, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   84 ASP  HN           92 VAL  HN          5.50    (#   1762:10        Unique  4.83, 5.10 A)
 &rst
  ixpk= 1762, nxpk= 10, iat=1355,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HD           92 VAL  HN          5.00    (#   1763:10        Unique  3.51, 5.38 A)
 &rst
  ixpk= 1763, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1482,1491,
 &end
#
#    0 AMB  10-2:1764    94 THR  HN          5.00    (#   1764:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1764, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   99 ASP  HN           96 LYS  HN          4.50    (#   1768:10        Unique  3.61, 3.73 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=1571,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 ILE  HN          101 GLU  HN          5.00    (#   1773:10        Unique  4.39, 4.41 A)
 &rst
  ixpk= 1773, nxpk= 10, iat=1583,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 GLY  HA+         101 GLU  HN          4.50    (#   1775:10        Unique  3.33, 3.73 A)
 &rst
  ixpk= 1775, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 745, 746,
 &end
#
#  100 ILE  HG1-        101 GLU  HN          3.50    (#   1776:10        Unique  1.82, 2.87 A)
 &rst
  ixpk= 1776, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1593,1594,
 &end
#
#  101 GLU  HN          102 ALA  HN          5.00    (#   1778:10        Unique  3.86, 4.23 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=1602,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 GLY  HA-         102 ALA  HN          6.00    (#   1780:10        Unique  4.04, 4.55 A)
 &rst
  ixpk= 1780, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 745, 746,
 &end
#
#  113 ILE  QG2         102 ALA  HN          5.00    (#   1781:10        Unique  2.83, 4.88 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1772,1773,1774,
 &end
#
#  103 ILE  QG2         103 ILE  HN          4.00    (#   1782:10        Unique  3.77, 4.43 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  103 ILE  QD1         103 ILE  HN          4.00    (#   1783:10        Unique  2.23, 3.59 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1640,1641,1642,
 &end
#
#  105 VAL  MGY         103 ILE  HN          4.00    (#   1784:10        Unique  2.84, 4.47 A)
 &rst
  ixpk= 1784, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:1785   104 ASP  HN          4.00    (#   1785:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1785, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1637,1638,1631,
 &end
#
#  103 ILE  HG1+        104 ASP  HN          4.00    (#   1786:10        Unique  3.36, 4.43 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1637,1638,
 &end
#
#  105 VAL  MGY         104 ASP  HN          5.60    (#   1787:10        Unique  3.69, 5.12 A)
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  103 ILE  HG1+        103 ILE  HN          4.00    (#   1788:10        Unique  2.71, 4.08 A)
 &rst
  ixpk= 1788, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1637,1638,
 &end
#
#    0 AMB  10-2:1789   105 VAL  HN          5.00    (#   1789:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1789, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1731,1732,1609,1610,
 &end
#
#    0 AMB  10-2:1790   105 VAL  HN          6.00    (#   1790:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1631,1637,1638,
 &end
#
#  103 ILE  QD1         105 VAL  HN          6.70    (#   1792:10        Unique  6.12, 7.24 A)
 &rst
  ixpk= 1792, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=1640,1641,1642,
 &end
#
#  109 THR  MG2         106 ASP  HN          4.00    (#   1794:10        Unique  3.69, 4.63 A)
 &rst
  ixpk= 1794, nxpk= 10, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   39 THR  MG2           0 AMB  10-1:1795   6.00    (#   1795:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1795, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 630, 631, 632,
 igr2=1698,1674,
 &end
#
#  105 VAL  MGX         107 ASP  HN          6.00    (#   1796:10        Unique  5.07, 7.42 A)
 &rst
  ixpk= 1796, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:1797   107 ASP  HN          6.00    (#   1797:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1797, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1728,1729,1745,1746,
 &end
#
#  110 GLN  HA          109 THR  HN          6.00    (#   1798:10        Unique  5.43, 5.47 A)
 &rst
  ixpk= 1798, nxpk= 10, iat=1726,1710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1799   109 THR  HN          5.00    (#   1799:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1799, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 &end
#
#  110 GLN  HB-         112 ALA  HN          5.00    (#   1802:10        Unique  4.62, 5.27 A)
 &rst
  ixpk= 1802, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1728,1729,
 &end
#
#  113 ILE  QG2         112 ALA  HN          6.00    (#   1803:10        Unique  6.90, 7.26 A)
 &rst
  ixpk= 1803, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1772,1773,1774,
 &end
#
#   69 ALA  HN           81 GLU  HN          4.00    (#   1805:10        Unique  2.84, 3.90 A)
 &rst
  ixpk= 1805, nxpk= 10, iat=1133,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HD1         116 TRP  HN          5.00    (#   1807:10        Unique  3.98, 4.42 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=1815,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1809   117 LEU  HN          6.00    (#   1809:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1809, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  117 LEU  HB+         117 LEU  HN          3.50    (#   1810:10        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1810, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1835,1836,
 &end
#
#  116 TRP  HD1         117 LEU  HN          4.00    (#   1811:10        Unique  2.46, 3.30 A)
 &rst
  ixpk= 1811, nxpk= 10, iat=1815,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1812   120 LEU  HN          3.20    (#   1812:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1812, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1875,1876,1875,1876,
 &end
#
#  120 LEU  HB+         120 LEU  HN          3.00    (#   1813:10        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1813, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#    0 AMB  10-2:1814   120 LEU  HN          6.00    (#   1814:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1814, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1959,1960,1840,1841,1842,1844,1845,1846,
 &end
#
#  123 GLY  HN          121 ALA  HN          4.80    (#   1815:10        Unique  3.92, 4.28 A)
 &rst
  ixpk= 1815, nxpk= 10, iat=1948,1914, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  122 ARG  HB-         123 GLY  HN          4.50    (#   1816:10        Unique  2.69, 3.84 A)
 &rst
  ixpk= 1816, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1928,1929,
 &end
#
#  119 TRP  HA          124 TYR  HN          7.60    (#   1817:10        Unique  5.18, 5.64 A)
 &rst
  ixpk= 1817, nxpk= 10, iat=1873,1955, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,  &end
#
#    0 AMB  10-2:1818   124 TYR  HN          5.00    (#   1818:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1818, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 &end
#
#  119 TRP  HE1         126 PHE  HN          5.00    (#   1819:10        Unique  5.00, 5.13 A)
 &rst
  ixpk= 1819, nxpk= 10, iat=1881,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HA           48 TRP  HE1         5.00    (#   1820:10        Unique  5.05, 5.13 A)
 &rst
  ixpk= 1820, nxpk= 10, iat=1573, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1821    48 TRP  HE1         4.50    (#   1821:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1821, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 820,1521,
 &end
#
#    8 GLU  HA           12 HIS  HN          4.50    (#   1822:10        Unique  3.29, 3.84 A)
 &rst
  ixpk= 1822, nxpk= 10, iat= 111, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 VAL  HA            4 VAL  HN          3.00    (#   1823:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1823, nxpk= 10, iat=  44,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ARG  HB+          10 ARG  HN          3.50    (#   1825:10        Unique  2.31, 2.79 A)
 &rst
  ixpk= 1825, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#   12 HIS  HD2          10 ARG  HN          6.00    (#   1828:10        Unique  5.29, 5.69 A)
 &rst
  ixpk= 1828, nxpk= 10, iat= 190, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 ARG  HN           11 GLU  HN          5.50    (#   1830:10        Unique  4.81, 4.94 A)
 &rst
  ixpk= 1830, nxpk= 10, iat= 194, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 ILE  HN           12 HIS  HN          5.00    (#   1832:10        Unique  4.73, 4.81 A)
 &rst
  ixpk= 1832, nxpk= 10, iat= 218, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ARG  HA           15 GLU  HN          4.50    (#   1834:10        Unique  3.97, 4.01 A)
 &rst
  ixpk= 1834, nxpk= 10, iat= 196, 237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 THR  HA           15 GLU  HN          5.40    (#   1835:10        Unique  5.12, 5.17 A)
 &rst
  ixpk= 1835, nxpk= 10, iat= 254, 237, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#    0 AMB  10-2:1836    16 THR  HN          4.00    (#   1836:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1836, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 244, 245, 273, 274,
 &end
#
#   18 ILE  HA           17 GLU  HN          5.20    (#   1837:10        Unique  4.44, 4.50 A)
 &rst
  ixpk= 1837, nxpk= 10, iat= 283, 266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   14 ILE  HA           17 GLU  HN          4.50    (#   1838:10        Unique  3.74, 3.87 A)
 &rst
  ixpk= 1838, nxpk= 10, iat= 220, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HA            7 ASP  HN          6.00    (#   1840:10        Unique  4.35, 4.50 A)
 &rst
  ixpk= 1840, nxpk= 10, iat=  60,  97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 TYR  HE           94 THR  HN          6.50    (#   1841:10        Unique  6.90, 7.27 A)
 &rst
  ixpk= 1841, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1484,1489,
 &end
#
#  125 LYS  HN          126 PHE  HN          3.00    (#   1842:10        Unique  1.70, 2.38 A)
 &rst
  ixpk= 1842, nxpk= 10, iat=1976,1998, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HB+         126 PHE  HN          5.40    (#   1843:10        Unique  2.54, 3.69 A)
 &rst
  ixpk= 1843, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1959,1960,
 &end
#
#  126 PHE  HN          124 TYR  HN          7.00    (#   1844:10        Unique  4.69, 5.01 A)
 &rst
  ixpk= 1844, nxpk= 10, iat=1998,1955, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  119 TRP  HB-         119 TRP  HE1         5.00    (#   1846:10        Unique  4.84, 5.08 A)
 &rst
  ixpk= 1846, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1875,1876,
 &end
#
#   97 LEU  HN           98 SER  HN          3.50    (#   1847:10        Unique  2.78, 2.87 A)
 &rst
  ixpk= 1847, nxpk= 10, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 MET  HG-         116 TRP  HE1         5.00    (#   1849:10        Unique  1.80, 5.22 A)
 &rst
  ixpk= 1849, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1267,1268,
 &end
#
#   96 LYS  HN           48 TRP  HE1         5.00    (#   1850:10        Unique  4.85, 5.02 A)
 &rst
  ixpk= 1850, nxpk= 10, iat=1519, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1851    48 TRP  HE1         5.00    (#   1851:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1851, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 796,1007,
 &end
#
#  119 TRP  HB-         119 TRP  HN          3.00    (#   1853:10        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1853, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#   70 PRO  HB+          71 ASP  HN          3.80    (#   1854:10        Unique  2.18, 3.15 A)
 &rst
  ixpk= 1854, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1150,1151,
 &end
#
#   27 GLU  HG+          27 GLU  HN          3.00    (#   1858:10        Unique  1.90, 2.72 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 428, 429,
 &end
#
#   36 LEU  HB-           0 AMB  10-1:1859   5.00    (#   1859:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1859, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 585, 586,
 igr2= 539,1260,
 &end
#
#    0 AMB  10-2:1860    37 ASP  HN          6.00    (#   1860:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1860, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 628, 543, 544,
 &end
#
#    0 AMB  10-2:1861    37 ASP  HN          6.00    (#   1861:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1861, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 564, 565, 543, 544, 676, 677,
 &end
#
#   33 TYR  HE           38 ASP  HN          6.00    (#   1862:10        Unique  5.13, 6.66 A)
 &rst
  ixpk= 1862, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 528, 533,
 &end
#
#    0 AMB  10-2:1863    39 THR  HN          6.00    (#   1863:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1863, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 604, 605, 588,
 &end
#
#    0 AMB  10-2:1864    41 GLU  HN          5.50    (#   1864:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1864, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 626,1714,
 &end
#
#  120 LEU  HN            0 AMB  10-1:1865   3.50    (#   1865:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1865, nxpk= 10, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:1866     9 THR  HN          5.00    (#   1866:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1866, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  62,  63, 113, 114,
 &end
#
#   10 ARG  HN            9 THR  HN          3.00    (#   1867:10        Unique  2.58, 2.61 A)
 &rst
  ixpk= 1867, nxpk= 10, iat= 138, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ARG  HD+          11 GLU  HN          5.00    (#   1869:10        Unique  1.98, 4.31 A)
 &rst
  ixpk= 1869, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 148, 149,
 &end
#
#    0 AMB  10-2:1870    11 GLU  HN          6.00    (#   1870:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1870, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 181, 182,  83,  84,
 &end
#
#   14 ILE  QD1          32 TRP  HE1         5.00    (#   1871:10        Unique  4.30, 5.63 A)
 &rst
  ixpk= 1871, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#   18 ILE  HA           19 ILE  HN          4.90    (#   1873:10        Unique  3.42, 3.53 A)
 &rst
  ixpk= 1873, nxpk= 10, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   17 GLU  HB+          18 ILE  HN          4.40    (#   1874:10        Unique  2.65, 3.36 A)
 &rst
  ixpk= 1874, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 270, 271,
 &end
#
#   79 TYR  HB-          69 ALA  HN          5.00    (#   1878:10        Unique  3.08, 4.65 A)
 &rst
  ixpk= 1878, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1281,1282,
 &end
#
#  118 TYR  HB+         116 TRP  HN          6.00    (#   1879:10        Unique  5.05, 6.34 A)
 &rst
  ixpk= 1879, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1854,1855,
 &end
#
#  109 THR  MG2          40 LEU  HN          5.00    (#   1880:10        Unique  4.48, 6.10 A)
 &rst
  ixpk= 1880, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1716,1717,1718,
 &end
#
#   66 LEU  HA           44 PHE  HN          5.00    (#   1881:10        Unique  4.26, 4.57 A)
 &rst
  ixpk= 1881, nxpk= 10, iat=1092, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
# N angles for residue 10
 &rst   iat= 138, 137, 135, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 138, 137, 139, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 12
 &rst   iat= 177, 176, 174, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 177, 176, 178, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 13
 &rst   iat= 194, 193, 191, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 194, 193, 195, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 14
 &rst   iat= 218, 217, 215, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 218, 217, 219, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 15
 &rst   iat= 237, 236, 234, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 237, 236, 238, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 16
 &rst   iat= 252, 251, 249, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 252, 251, 253, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 18
 &rst   iat= 281, 280, 278, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 281, 280, 282, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 24
 &rst   iat= 372, 371, 369, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 372, 371, 373, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 25
 &rst   iat= 384, 383, 381, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 384, 383, 385, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 26
 &rst   iat= 406, 405, 403, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 406, 405, 407, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 29
 &rst   iat= 460, 459, 457, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 460, 459, 461, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 30
 &rst   iat= 470, 469, 467, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 470, 469, 471, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 31
 &rst   iat= 487, 486, 484, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 487, 486, 488, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 32
 &rst   iat= 494, 493, 491, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 494, 493, 495, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 33
 &rst   iat= 518, 517, 515, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 518, 517, 519, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 34
 &rst   iat= 539, 538, 536, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 539, 538, 540, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 35
 &rst   iat= 560, 559, 557, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 560, 559, 561, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 36
 &rst   iat= 581, 580, 578, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 581, 580, 582, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 37
 &rst   iat= 600, 599, 597, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 600, 599, 601, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 38
 &rst   iat= 612, 611, 609, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 612, 611, 613, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 39
 &rst   iat= 624, 623, 621, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 624, 623, 625, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 40
 &rst   iat= 638, 637, 635, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 638, 637, 639, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 44
 &rst   iat= 706, 705, 703, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 706, 705, 707, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 45
 &rst   iat= 726, 725, 723, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 726, 725, 727, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 46
 &rst   iat= 743, 742, 740, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 743, 742, 744, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 47
 &rst   iat= 750, 749, 747, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 750, 749, 751, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 49
 &rst   iat= 796, 795, 793, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 796, 795, 797, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 50
 &rst   iat= 818, 817, 815, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 818, 817, 819, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 58
 &rst   iat= 958, 957, 955, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 958, 957, 959, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 59
 &rst   iat= 977, 976, 974, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 977, 976, 978, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 61
 &rst   iat= 1007, 1006, 1004, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1007, 1006, 1008, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 63
 &rst   iat= 1043, 1042, 1040, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1043, 1042, 1044, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 64
 &rst   iat= 1059, 1058, 1056, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1059, 1058, 1060, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 65
 &rst   iat= 1074, 1073, 1071, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1074, 1073, 1075, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 66
 &rst   iat= 1090, 1089, 1087, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1090, 1089, 1091, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 67
 &rst   iat= 1109, 1108, 1106, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1109, 1108, 1110, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 76
 &rst   iat= 1226, 1225, 1223, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1226, 1225, 1227, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 77
 &rst   iat= 1248, 1247, 1245, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1248, 1247, 1249, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 79
 &rst   iat= 1277, 1276, 1274, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1277, 1276, 1278, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 80
 &rst   iat= 1298, 1297, 1295, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1298, 1297, 1299, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 82
 &rst   iat= 1329, 1328, 1326, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1329, 1328, 1330, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 83
 &rst   iat= 1345, 1344, 1342, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1345, 1344, 1346, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 84
 &rst   iat= 1355, 1354, 1352, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1355, 1354, 1356, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 92
 &rst   iat= 1458, 1457, 1455, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1458, 1457, 1459, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 93
 &rst   iat= 1474, 1473, 1471, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1474, 1473, 1475, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 95
 &rst   iat= 1509, 1508, 1506, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1509, 1508, 1510, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 96
 &rst   iat= 1519, 1518, 1516, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1519, 1518, 1520, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 99
 &rst   iat= 1571, 1570, 1568, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1571, 1570, 1572, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 100
 &rst   iat= 1583, 1582, 1580, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1583, 1582, 1584, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 101
 &rst   iat= 1602, 1601, 1599, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1602, 1601, 1603, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 102
 &rst   iat= 1617, 1616, 1614, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1617, 1616, 1618, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 103
 &rst   iat= 1627, 1626, 1624, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1627, 1626, 1628, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 104
 &rst   iat= 1646, 1645, 1643, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1646, 1645, 1647, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 105
 &rst   iat= 1658, 1657, 1655, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1658, 1657, 1659, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 107
 &rst   iat= 1686, 1685, 1683, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1686, 1685, 1687, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 109
 &rst   iat= 1710, 1709, 1707, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1710, 1709, 1711, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 112
 &rst   iat= 1756, 1755, 1753, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1756, 1755, 1757, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 113
 &rst   iat= 1766, 1765, 1763, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1766, 1765, 1767, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 115
 &rst   iat= 1795, 1794, 1792, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1795, 1794, 1796, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 116
 &rst   iat= 1807, 1806, 1804, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1807, 1806, 1808, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 117
 &rst   iat= 1831, 1830, 1828, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1831, 1830, 1832, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 120
 &rst   iat= 1895, 1894, 1892, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1895, 1894, 1896, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 121
 &rst   iat= 1914, 1913, 1911, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1914, 1913, 1915, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 123
 &rst   iat= 1948, 1947, 1945, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1948, 1947, 1949, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 124
 &rst   iat= 1955, 1954, 1952, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1955, 1954, 1956, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 125
 &rst   iat= 1976, 1975, 1973, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1976, 1975, 1977, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  10.565  -5.021  -0.766
    2    H2   MET   1           H2       MET   1   9.516  -3.807  -1.098
    3    H3   MET   1           H3       MET   1   9.561  -4.441   0.402
    4    HA   MET   1           HA       MET   1   8.710  -5.800  -2.049
    5    HB2  MET   1           HB2      MET   1   8.156  -7.745  -0.785
    6    HB3  MET   1           HB3      MET   1   9.836  -7.353  -0.462
    7    HG2  MET   1           HG2      MET   1   9.195  -6.384   1.732
    8    HG3  MET   1           HG3      MET   1   7.496  -6.715   1.375
    9    HE1  MET   1           HE1      MET   1   8.174  -9.208   4.269
   10    HE2  MET   1           HE2      MET   1   8.818  -7.562   4.080
   11    HE3  MET   1           HE3      MET   1   7.129  -7.909   3.651
   12    H    ALA   2           H        ALA   2   6.313  -6.648  -1.701
   13    HA   ALA   2           HA       ALA   2   4.666  -4.357  -1.537
   14    HB1  ALA   2           HB1      ALA   2   3.900  -7.312  -1.378
   15    HB2  ALA   2           HB2      ALA   2   2.801  -5.964  -1.740
   16    HB3  ALA   2           HB3      ALA   2   4.110  -6.357  -2.865
   17    H    SER   3           H        SER   3   5.358  -6.877   0.890
   18    HA   SER   3           HA       SER   3   4.861  -7.179   3.037
   19    HB2  SER   3           HB2      SER   3   4.754  -4.152   3.192
   20    HB3  SER   3           HB3      SER   3   5.076  -5.282   4.519
   21    HG   SER   3           HG       SER   3   6.989  -4.382   3.601
   22    H    VAL   4           H        VAL   4   2.393  -6.429   1.097
   23    HA   VAL   4           HA       VAL   4   0.218  -5.854   2.792
   24    HB   VAL   4           HB       VAL   4   0.223  -5.864   0.323
   25   HG11  VAL   4          HG11      VAL   4   1.510  -7.972  -0.081
   26   HG12  VAL   4          HG12      VAL   4   0.096  -8.903   0.468
   27   HG13  VAL   4          HG13      VAL   4  -0.001  -7.896  -0.979
   28   HG21  VAL   4          HG21      VAL   4  -1.918  -5.921   1.536
   29   HG22  VAL   4          HG22      VAL   4  -2.011  -6.731  -0.036
   30   HG23  VAL   4          HG23      VAL   4  -1.919  -7.695   1.456
   31    H    GLU   5           H        GLU   5   2.150  -8.755   2.376
   32    HA   GLU   5           HA       GLU   5   1.126  -9.870   4.837
   33    HB2  GLU   5           HB2      GLU   5  -0.166 -11.151   3.200
   34    HB3  GLU   5           HB3      GLU   5   1.250 -11.366   2.174
   35    HG2  GLU   5           HG2      GLU   5   0.791 -13.413   3.411
   36    HG3  GLU   5           HG3      GLU   5   2.341 -12.731   3.897
   37    H    ARG   6           H        ARG   6   2.910 -10.877   5.856
   38    HA   ARG   6           HA       ARG   6   5.586 -10.609   4.621
   39    HB2  ARG   6           HB2      ARG   6   6.300  -9.026   6.331
   40    HB3  ARG   6           HB3      ARG   6   4.888  -8.404   5.469
   41    HG2  ARG   6           HG2      ARG   6   3.448  -9.277   7.417
   42    HG3  ARG   6           HG3      ARG   6   4.955  -9.629   8.260
   43    HD2  ARG   6           HD2      ARG   6   4.128  -7.497   9.016
   44    HD3  ARG   6           HD3      ARG   6   5.592  -7.207   8.059
   45    HE   ARG   6           HE       ARG   6   3.424  -7.000   6.279
   46   HH11  ARG   6          HH11      ARG   6   4.509  -5.274   9.190
   47   HH12  ARG   6          HH12      ARG   6   3.786  -3.776   8.733
   48   HH21  ARG   6          HH21      ARG   6   2.511  -5.055   5.658
   49   HH22  ARG   6          HH22      ARG   6   2.593  -3.644   6.671
   50    H    ASP   7           H        ASP   7   3.504 -12.508   6.451
   51    HA   ASP   7           HA       ASP   7   5.819 -13.904   7.689
   52    HB2  ASP   7           HB2      ASP   7   4.677 -12.734   9.510
   53    HB3  ASP   7           HB3      ASP   7   3.127 -13.407   8.998
   54    H    GLU   8           H        GLU   8   5.761 -16.083   7.388
   55    HA   GLU   8           HA       GLU   8   4.265 -16.854   5.100
   56    HB2  GLU   8           HB2      GLU   8   6.130 -18.462   6.898
   57    HB3  GLU   8           HB3      GLU   8   5.531 -18.989   5.317
   58    HG2  GLU   8           HG2      GLU   8   6.614 -17.027   4.246
   59    HG3  GLU   8           HG3      GLU   8   7.277 -16.543   5.807
   60    H    THR   9           H        THR   9   3.232 -17.068   8.402
   61    HA   THR   9           HA       THR   9   2.129 -19.637   8.585
   62    HB   THR   9           HB       THR   9   0.965 -17.039   9.620
   63    HG1  THR   9           HG1      THR   9   2.986 -17.118  10.307
   64   HG21  THR   9          HG21      THR   9   0.136 -18.473  11.485
   65   HG22  THR   9          HG22      THR   9  -0.594 -18.905   9.934
   66   HG23  THR   9          HG23      THR   9   0.705 -19.914  10.607
   67    H    ARG  10           H        ARG  10   0.570 -16.748   7.031
   68    HA   ARG  10           HA       ARG  10  -1.819 -18.228   6.433
   69    HB2  ARG  10           HB2      ARG  10  -0.649 -15.633   5.397
   70    HB3  ARG  10           HB3      ARG  10  -2.014 -16.375   4.575
   71    HG2  ARG  10           HG2      ARG  10  -2.879 -14.765   6.129
   72    HG3  ARG  10           HG3      ARG  10  -3.355 -16.383   6.620
   73    HD2  ARG  10           HD2      ARG  10  -2.789 -15.082   8.568
   74    HD3  ARG  10           HD3      ARG  10  -1.582 -16.360   8.384
   75    HE   ARG  10           HE       ARG  10  -0.724 -13.991   7.016
   76   HH11  ARG  10          HH11      ARG  10  -1.242 -15.008  10.388
   77   HH12  ARG  10          HH12      ARG  10  -0.123 -13.868  11.033
   78   HH21  ARG  10          HH21      ARG  10   0.808 -12.588   7.822
   79   HH22  ARG  10          HH22      ARG  10   1.023 -12.394   9.538
   80    H    GLU  11           H        GLU  11   1.285 -17.978   4.693
   81    HA   GLU  11           HA       GLU  11   0.235 -19.186   2.274
   82    HB2  GLU  11           HB2      GLU  11   3.092 -18.840   3.268
   83    HB3  GLU  11           HB3      GLU  11   2.632 -19.535   1.709
   84    HG2  GLU  11           HG2      GLU  11   1.374 -17.403   1.192
   85    HG3  GLU  11           HG3      GLU  11   2.048 -16.702   2.665
   86    H    HIS  12           H        HIS  12   1.905 -20.419   5.252
   87    HA   HIS  12           HA       HIS  12   1.959 -23.157   4.360
   88    HB2  HIS  12           HB2      HIS  12   1.816 -21.996   7.175
   89    HB3  HIS  12           HB3      HIS  12   2.104 -23.689   6.796
   90    HD1  HIS  12           HD1      HIS  12   4.471 -23.978   5.068
   91    HD2  HIS  12           HD2      HIS  12   3.965 -20.698   7.650
   92    HE1  HIS  12           HE1      HIS  12   6.797 -23.027   5.468
   93    H    ARG  13           H        ARG  13  -0.526 -21.194   6.098
   94    HA   ARG  13           HA       ARG  13  -2.194 -23.491   6.642
   95    HB2  ARG  13           HB2      ARG  13  -2.853 -20.505   6.521
   96    HB3  ARG  13           HB3      ARG  13  -4.013 -21.748   6.955
   97    HG2  ARG  13           HG2      ARG  13  -1.588 -20.863   8.539
   98    HG3  ARG  13           HG3      ARG  13  -3.279 -20.827   8.996
   99    HD2  ARG  13           HD2      ARG  13  -1.438 -23.218   8.758
  100    HD3  ARG  13           HD3      ARG  13  -2.179 -22.576  10.224
  101    HE   ARG  13           HE       ARG  13  -4.399 -23.182   8.850
  102   HH11  ARG  13          HH11      ARG  13  -1.503 -25.163   9.389
  103   HH12  ARG  13          HH12      ARG  13  -2.297 -26.655   9.059
  104   HH21  ARG  13          HH21      ARG  13  -5.459 -25.130   8.416
  105   HH22  ARG  13          HH22      ARG  13  -4.627 -26.649   8.582
  106    H    ILE  14           H        ILE  14  -2.366 -20.989   4.034
  107    HA   ILE  14           HA       ILE  14  -4.629 -22.185   2.900
  108    HB   ILE  14           HB       ILE  14  -3.687 -19.873   2.558
  109   HG12  ILE  14          HG12      ILE  14  -4.662 -21.402   0.109
  110   HG13  ILE  14          HG13      ILE  14  -5.660 -20.826   1.441
  111   HG21  ILE  14          HG21      ILE  14  -2.116 -21.076   0.246
  112   HG22  ILE  14          HG22      ILE  14  -2.223 -19.367   0.719
  113   HG23  ILE  14          HG23      ILE  14  -1.421 -20.517   1.776
  114   HD11  ILE  14          HD11      ILE  14  -4.148 -19.106  -0.551
  115   HD12  ILE  14          HD12      ILE  14  -5.902 -19.309  -0.396
  116   HD13  ILE  14          HD13      ILE  14  -4.997 -18.476   0.885
  117    H    GLU  15           H        GLU  15  -1.152 -22.833   2.315
  118    HA   GLU  15           HA       GLU  15  -1.371 -24.698   0.198
  119    HB2  GLU  15           HB2      GLU  15   0.713 -23.684   0.979
  120    HB3  GLU  15           HB3      GLU  15   0.545 -24.467   2.546
  121    HG2  GLU  15           HG2      GLU  15   2.185 -25.651   1.278
  122    HG3  GLU  15           HG3      GLU  15   0.773 -26.677   1.503
  123    H    THR  16           H        THR  16  -1.883 -25.121   3.733
  124    HA   THR  16           HA       THR  16  -2.171 -28.045   3.303
  125    HB   THR  16           HB       THR  16  -1.820 -28.186   5.756
  126    HG1  THR  16           HG1      THR  16  -1.053 -25.464   5.582
  127   HG21  THR  16          HG21      THR  16   0.066 -28.462   4.191
  128   HG22  THR  16          HG22      THR  16   0.401 -26.720   4.265
  129   HG23  THR  16          HG23      THR  16   0.576 -27.726   5.719
  130    H    GLU  17           H        GLU  17  -4.268 -25.522   3.251
  131    HA   GLU  17           HA       GLU  17  -6.423 -27.155   4.496
  132    HB2  GLU  17           HB2      GLU  17  -5.446 -25.193   5.792
  133    HB3  GLU  17           HB3      GLU  17  -6.150 -24.127   4.560
  134    HG2  GLU  17           HG2      GLU  17  -8.377 -24.991   5.091
  135    HG3  GLU  17           HG3      GLU  17  -7.671 -26.158   6.223
  136    H    ILE  18           H        ILE  18  -5.579 -24.967   1.771
  137    HA   ILE  18           HA       ILE  18  -8.371 -25.306   0.765
  138    HB   ILE  18           HB       ILE  18  -6.427 -23.000   0.509
  139   HG12  ILE  18          HG12      ILE  18  -8.927 -23.542   2.148
  140   HG13  ILE  18          HG13      ILE  18  -7.340 -23.013   2.698
  141   HG21  ILE  18          HG21      ILE  18  -9.250 -23.186  -0.616
  142   HG22  ILE  18          HG22      ILE  18  -8.171 -21.766  -0.673
  143   HG23  ILE  18          HG23      ILE  18  -7.759 -23.196  -1.580
  144   HD11  ILE  18          HD11      ILE  18  -9.474 -21.352   1.329
  145   HD12  ILE  18          HD12      ILE  18  -8.849 -21.198   2.975
  146   HD13  ILE  18          HD13      ILE  18  -7.820 -20.763   1.600
  147    H    ILE  19           H        ILE  19  -4.939 -25.515  -0.251
  148    HA   ILE  19           HA       ILE  19  -5.949 -26.722  -2.792
  149    HB   ILE  19           HB       ILE  19  -3.962 -25.847  -3.913
  150   HG12  ILE  19          HG12      ILE  19  -2.715 -25.271  -1.703
  151   HG13  ILE  19          HG13      ILE  19  -2.484 -24.324  -3.164
  152   HG21  ILE  19          HG21      ILE  19  -4.899 -23.618  -4.345
  153   HG22  ILE  19          HG22      ILE  19  -6.135 -24.879  -4.289
  154   HG23  ILE  19          HG23      ILE  19  -5.944 -23.772  -2.923
  155   HD11  ILE  19          HD11      ILE  19  -2.674 -22.958  -1.089
  156   HD12  ILE  19          HD12      ILE  19  -3.812 -22.505  -2.364
  157   HD13  ILE  19          HD13      ILE  19  -4.382 -23.443  -0.980
  158    H    VAL  20           H        VAL  20  -5.350 -28.090  -0.293
  159    HA   VAL  20           HA       VAL  20  -2.921 -29.510  -0.383
  160    HB   VAL  20           HB       VAL  20  -4.267 -31.329   0.787
  161   HG11  VAL  20          HG11      VAL  20  -4.400 -28.495   1.867
  162   HG12  VAL  20          HG12      VAL  20  -4.523 -29.986   2.834
  163   HG13  VAL  20          HG13      VAL  20  -3.020 -29.613   1.974
  164   HG21  VAL  20          HG21      VAL  20  -6.534 -30.859  -0.135
  165   HG22  VAL  20          HG22      VAL  20  -6.493 -30.808   1.626
  166   HG23  VAL  20          HG23      VAL  20  -6.551 -29.294   0.714
  167    H    ASP  21           H        ASP  21  -5.861 -29.960  -2.298
  168    HA   ASP  21           HA       ASP  21  -4.995 -32.591  -3.272
  169    HB2  ASP  21           HB2      ASP  21  -7.298 -32.121  -2.419
  170    HB3  ASP  21           HB3      ASP  21  -7.547 -31.019  -3.773
  171    H    ALA  22           H        ALA  22  -3.960 -29.689  -4.193
  172    HA   ALA  22           HA       ALA  22  -4.185 -30.135  -7.136
  173    HB1  ALA  22           HB1      ALA  22  -4.448 -27.622  -7.253
  174    HB2  ALA  22           HB2      ALA  22  -5.840 -28.457  -6.537
  175    HB3  ALA  22           HB3      ALA  22  -4.676 -27.607  -5.498
  176    H    GLU  23           H        GLU  23  -2.298 -29.739  -8.239
  177    HA   GLU  23           HA       GLU  23   0.080 -28.826  -6.661
  178    HB2  GLU  23           HB2      GLU  23  -0.214 -31.290  -8.429
  179    HB3  GLU  23           HB3      GLU  23   1.303 -30.711  -7.732
  180    HG2  GLU  23           HG2      GLU  23   0.331 -30.976  -5.441
  181    HG3  GLU  23           HG3      GLU  23  -1.116 -31.688  -6.161
  182    H    ASP  24           H        ASP  24  -1.791 -28.087  -9.301
  183    HA   ASP  24           HA       ASP  24   0.486 -26.765 -10.693
  184    HB2  ASP  24           HB2      ASP  24  -0.104 -28.751 -12.012
  185    HB3  ASP  24           HB3      ASP  24  -1.813 -28.311 -11.963
  186    H    LYS  25           H        LYS  25  -0.128 -24.755 -11.677
  187    HA   LYS  25           HA       LYS  25  -1.795 -23.183 -10.109
  188    HB2  LYS  25           HB2      LYS  25  -1.478 -21.433 -11.759
  189    HB3  LYS  25           HB3      LYS  25   0.030 -22.319 -11.516
  190    HG2  LYS  25           HG2      LYS  25  -0.478 -23.650 -13.606
  191    HG3  LYS  25           HG3      LYS  25  -1.912 -22.636 -13.853
  192    HD2  LYS  25           HD2      LYS  25  -0.480 -20.632 -14.031
  193    HD3  LYS  25           HD3      LYS  25   0.966 -21.653 -13.803
  194    HE2  LYS  25           HE2      LYS  25   0.304 -23.012 -15.779
  195    HE3  LYS  25           HE3      LYS  25  -1.125 -22.006 -16.003
  196    HZ1  LYS  25           HZ1      LYS  25   0.351 -20.116 -16.429
  197    HZ2  LYS  25           HZ2      LYS  25   1.677 -21.050 -16.220
  198    HZ3  LYS  25           HZ3      LYS  25   0.672 -21.325 -17.471
  199    H    GLU  26           H        GLU  26  -2.761 -25.013 -13.071
  200    HA   GLU  26           HA       GLU  26  -5.264 -23.603 -13.377
  201    HB2  GLU  26           HB2      GLU  26  -4.315 -26.372 -14.259
  202    HB3  GLU  26           HB3      GLU  26  -5.879 -25.692 -14.688
  203    HG2  GLU  26           HG2      GLU  26  -4.722 -23.732 -15.744
  204    HG3  GLU  26           HG3      GLU  26  -3.168 -24.490 -15.409
  205    H    GLU  27           H        GLU  27  -4.260 -26.562 -11.628
  206    HA   GLU  27           HA       GLU  27  -6.897 -27.295 -10.723
  207    HB2  GLU  27           HB2      GLU  27  -4.182 -27.919  -9.489
  208    HB3  GLU  27           HB3      GLU  27  -5.699 -28.777  -9.192
  209    HG2  GLU  27           HG2      GLU  27  -5.727 -29.489 -11.579
  210    HG3  GLU  27           HG3      GLU  27  -4.168 -28.690 -11.826
  211    H    ARG  28           H        ARG  28  -4.206 -25.344  -9.379
  212    HA   ARG  28           HA       ARG  28  -5.526 -24.913  -6.846
  213    HB2  ARG  28           HB2      ARG  28  -3.163 -23.487  -8.164
  214    HB3  ARG  28           HB3      ARG  28  -3.746 -23.195  -6.510
  215    HG2  ARG  28           HG2      ARG  28  -3.514 -25.633  -6.041
  216    HG3  ARG  28           HG3      ARG  28  -2.720 -25.861  -7.591
  217    HD2  ARG  28           HD2      ARG  28  -0.816 -24.573  -6.904
  218    HD3  ARG  28           HD3      ARG  28  -1.686 -23.961  -5.477
  219    HE   ARG  28           HE       ARG  28  -1.505 -26.878  -5.620
  220   HH11  ARG  28          HH11      ARG  28   0.183 -24.019  -4.358
  221   HH12  ARG  28          HH12      ARG  28   0.695 -24.847  -2.901
  222   HH21  ARG  28          HH21      ARG  28  -0.912 -27.880  -3.772
  223   HH22  ARG  28          HH22      ARG  28   0.131 -27.103  -2.590
  224    H    ALA  29           H        ALA  29  -5.712 -23.219  -9.941
  225    HA   ALA  29           HA       ALA  29  -7.071 -20.887  -8.920
  226    HB1  ALA  29           HB1      ALA  29  -6.154 -20.991 -11.235
  227    HB2  ALA  29           HB2      ALA  29  -7.358 -22.232 -11.651
  228    HB3  ALA  29           HB3      ALA  29  -7.881 -20.602 -11.215
  229    H    MET  30           H        MET  30  -8.150 -24.186  -9.978
  230    HA   MET  30           HA       MET  30 -10.928 -23.634  -9.454
  231    HB2  MET  30           HB2      MET  30  -9.476 -26.290  -9.635
  232    HB3  MET  30           HB3      MET  30 -11.226 -26.066  -9.604
  233    HG2  MET  30           HG2      MET  30  -9.342 -24.992 -11.742
  234    HG3  MET  30           HG3      MET  30 -10.364 -26.410 -11.869
  235    HE1  MET  30           HE1      MET  30  -9.951 -22.710 -12.337
  236    HE2  MET  30           HE2      MET  30 -11.575 -22.070 -12.654
  237    HE3  MET  30           HE3      MET  30 -11.053 -22.333 -10.996
  238    H    GLY  31           H        GLY  31  -8.321 -24.952  -7.370
  239    HA2  GLY  31           HA2      GLY  31  -9.937 -25.578  -5.131
  240    HA3  GLY  31           HA3      GLY  31  -8.246 -25.056  -5.063
  241    H    TRP  32           H        TRP  32  -8.226 -22.473  -5.889
  242    HA   TRP  32           HA       TRP  32  -9.280 -20.903  -3.833
  243    HB2  TRP  32           HB2      TRP  32  -8.178 -20.376  -6.580
  244    HB3  TRP  32           HB3      TRP  32  -9.104 -19.099  -5.831
  245    HD1  TRP  32           HD1      TRP  32  -5.757 -20.830  -5.522
  246    HE1  TRP  32           HE1      TRP  32  -4.255 -19.460  -3.969
  247    HE3  TRP  32           HE3      TRP  32  -9.257 -17.574  -3.691
  248    HZ2  TRP  32           HZ2      TRP  32  -4.541 -17.230  -2.137
  249    HZ3  TRP  32           HZ3      TRP  32  -8.620 -15.868  -2.009
  250    HH2  TRP  32           HH2      TRP  32  -6.265 -15.672  -1.244
  251    H    TYR  33           H        TYR  33 -10.581 -21.409  -7.163
  252    HA   TYR  33           HA       TYR  33 -12.760 -19.665  -6.999
  253    HB2  TYR  33           HB2      TYR  33 -11.948 -20.643  -9.087
  254    HB3  TYR  33           HB3      TYR  33 -12.386 -22.260  -8.548
  255    HD1  TYR  33           HD1      TYR  33 -14.806 -22.924  -8.302
  256    HD2  TYR  33           HD2      TYR  33 -13.597 -19.168 -10.035
  257    HE1  TYR  33           HE1      TYR  33 -17.087 -22.588  -9.120
  258    HE2  TYR  33           HE2      TYR  33 -15.831 -18.908 -11.034
  259    HH   TYR  33           HH       TYR  33 -17.916 -19.794 -11.295
  260    H    TYR  34           H        TYR  34 -12.658 -23.189  -6.295
  261    HA   TYR  34           HA       TYR  34 -15.364 -23.596  -5.798
  262    HB2  TYR  34           HB2      TYR  34 -13.933 -25.452  -6.136
  263    HB3  TYR  34           HB3      TYR  34 -12.796 -24.925  -4.903
  264    HD1  TYR  34           HD2      TYR  34 -16.291 -26.211  -5.330
  265    HD2  TYR  34           HD1      TYR  34 -12.918 -25.675  -2.707
  266    HE1  TYR  34           HE2      TYR  34 -17.420 -27.607  -3.619
  267    HE2  TYR  34           HE1      TYR  34 -14.030 -27.070  -0.975
  268    HH   TYR  34           HH       TYR  34 -17.282 -28.533  -1.481
  269    H    TYR  35           H        TYR  35 -12.753 -22.907  -3.320
  270    HA   TYR  35           HA       TYR  35 -14.771 -22.875  -1.265
  271    HB2  TYR  35           HB2      TYR  35 -13.136 -22.748   0.231
  272    HB3  TYR  35           HB3      TYR  35 -12.124 -23.244  -1.107
  273    HD1  TYR  35           HD1      TYR  35 -10.608 -21.592  -2.184
  274    HD2  TYR  35           HD2      TYR  35 -13.080 -20.488   1.168
  275    HE1  TYR  35           HE1      TYR  35  -9.264 -19.536  -1.885
  276    HE2  TYR  35           HE2      TYR  35 -11.758 -18.429   1.483
  277    HH   TYR  35           HH       TYR  35  -9.965 -17.160   0.744
  278    H    LEU  36           H        LEU  36 -13.249 -20.314  -3.265
  279    HA   LEU  36           HA       LEU  36 -14.196 -18.122  -1.755
  280    HB2  LEU  36           HB2      LEU  36 -12.459 -17.882  -3.431
  281    HB3  LEU  36           HB3      LEU  36 -13.562 -18.390  -4.716
  282    HG   LEU  36           HG       LEU  36 -14.903 -16.362  -4.453
  283   HD11  LEU  36          HD11      LEU  36 -12.938 -15.592  -2.247
  284   HD12  LEU  36          HD12      LEU  36 -14.117 -14.494  -2.994
  285   HD13  LEU  36          HD13      LEU  36 -14.687 -15.877  -2.059
  286   HD21  LEU  36          HD21      LEU  36 -12.889 -16.397  -5.918
  287   HD22  LEU  36          HD22      LEU  36 -13.274 -14.787  -5.310
  288   HD23  LEU  36          HD23      LEU  36 -11.929 -15.705  -4.595
  289    H    ASP  37           H        ASP  37 -15.665 -19.683  -4.705
  290    HA   ASP  37           HA       ASP  37 -17.990 -18.055  -4.724
  291    HB2  ASP  37           HB2      ASP  37 -17.301 -19.474  -6.625
  292    HB3  ASP  37           HB3      ASP  37 -17.639 -20.923  -5.675
  293    H    ASP  38           H        ASP  38 -17.325 -21.167  -3.065
  294    HA   ASP  38           HA       ASP  38 -19.910 -21.492  -1.910
  295    HB2  ASP  38           HB2      ASP  38 -18.241 -23.281  -2.026
  296    HB3  ASP  38           HB3      ASP  38 -17.186 -22.402  -0.916
  297    H    THR  39           H        THR  39 -17.319 -19.276  -1.031
  298    HA   THR  39           HA       THR  39 -18.401 -18.853   1.691
  299    HB   THR  39           HB       THR  39 -15.939 -17.727   0.293
  300    HG1  THR  39           HG1      THR  39 -15.685 -19.853   0.632
  301   HG21  THR  39          HG21      THR  39 -16.936 -17.485   3.160
  302   HG22  THR  39          HG22      THR  39 -15.239 -17.217   2.696
  303   HG23  THR  39          HG23      THR  39 -16.516 -16.186   2.036
  304    H    LEU  40           H        LEU  40 -18.201 -17.210  -1.477
  305    HA   LEU  40           HA       LEU  40 -18.915 -14.596  -0.645
  306    HB2  LEU  40           HB2      LEU  40 -19.548 -16.082  -3.214
  307    HB3  LEU  40           HB3      LEU  40 -19.894 -14.373  -2.964
  308    HG   LEU  40           HG       LEU  40 -17.128 -15.611  -2.943
  309   HD11  LEU  40          HD11      LEU  40 -16.826 -14.575  -5.122
  310   HD12  LEU  40          HD12      LEU  40 -18.253 -15.623  -5.166
  311   HD13  LEU  40          HD13      LEU  40 -18.454 -13.866  -5.050
  312   HD21  LEU  40          HD21      LEU  40 -17.962 -12.740  -2.677
  313   HD22  LEU  40          HD22      LEU  40 -16.939 -13.730  -1.579
  314   HD23  LEU  40          HD23      LEU  40 -16.332 -13.253  -3.161
  315    H    GLU  41           H        GLU  41 -20.761 -13.979   0.445
  316    HA   GLU  41           HA       GLU  41 -23.205 -15.572   0.393
  317    HB2  GLU  41           HB2      GLU  41 -22.419 -12.943   1.712
  318    HB3  GLU  41           HB3      GLU  41 -24.026 -13.657   1.878
  319    HG2  GLU  41           HG2      GLU  41 -21.522 -15.225   2.554
  320    HG3  GLU  41           HG3      GLU  41 -22.310 -14.164   3.722
  321    H    PHE  42           H        PHE  42 -22.727 -15.128  -2.094
  322    HA   PHE  42           HA       PHE  42 -23.575 -12.649  -3.209
  323    HB2  PHE  42           HB2      PHE  42 -23.402 -13.728  -5.349
  324    HB3  PHE  42           HB3      PHE  42 -22.066 -14.226  -4.350
  325    HD1  PHE  42           HD1      PHE  42 -25.362 -15.320  -5.756
  326    HD2  PHE  42           HD2      PHE  42 -21.655 -16.577  -3.933
  327    HE1  PHE  42           HE1      PHE  42 -25.907 -17.683  -6.259
  328    HE2  PHE  42           HE2      PHE  42 -22.206 -18.928  -4.440
  329    HZ   PHE  42           HZ       PHE  42 -24.335 -19.497  -5.599
  330    HA   PRO  43           HA       PRO  43 -24.670 -11.954  -5.272
  331    HB2  PRO  43           HB2      PRO  43 -26.657 -10.168  -5.759
  332    HB3  PRO  43           HB3      PRO  43 -26.562 -11.754  -6.584
  333    HG2  PRO  43           HG2      PRO  43 -28.235 -11.019  -4.163
  334    HG3  PRO  43           HG3      PRO  43 -28.753 -11.880  -5.648
  335    HD2  PRO  43           HD2      PRO  43 -28.053 -13.202  -3.352
  336    HD3  PRO  43           HD3      PRO  43 -27.699 -13.876  -4.969
  337    H    PHE  44           H        PHE  44 -23.907  -9.801  -4.920
  338    HA   PHE  44           HA       PHE  44 -24.603  -8.379  -2.435
  339    HB2  PHE  44           HB2      PHE  44 -22.400  -8.328  -1.566
  340    HB3  PHE  44           HB3      PHE  44 -22.895  -9.997  -1.712
  341    HD1  PHE  44           HD1      PHE  44 -21.956 -11.384  -3.715
  342    HD2  PHE  44           HD2      PHE  44 -20.317  -7.610  -2.437
  343    HE1  PHE  44           HE1      PHE  44 -19.798 -11.964  -4.772
  344    HE2  PHE  44           HE2      PHE  44 -18.178  -8.169  -3.546
  345    HZ   PHE  44           HZ       PHE  44 -17.898 -10.360  -4.691
  346    H    MET  45           H        MET  45 -22.558  -6.429  -2.561
  347    HA   MET  45           HA       MET  45 -22.582  -5.545  -5.385
  348    HB2  MET  45           HB2      MET  45 -23.415  -3.433  -4.967
  349    HB3  MET  45           HB3      MET  45 -24.529  -4.511  -4.151
  350    HG2  MET  45           HG2      MET  45 -23.921  -3.786  -2.039
  351    HG3  MET  45           HG3      MET  45 -22.287  -3.350  -2.505
  352    HE1  MET  45           HE1      MET  45 -22.608  -1.358  -5.061
  353    HE2  MET  45           HE2      MET  45 -22.535   0.137  -4.110
  354    HE3  MET  45           HE3      MET  45 -21.499  -1.235  -3.688
  355    H    GLY  46           H        GLY  46 -21.171  -3.733  -5.814
  356    HA2  GLY  46           HA2      GLY  46 -18.994  -3.178  -3.920
  357    HA3  GLY  46           HA3      GLY  46 -18.544  -4.233  -5.274
  358    H    LYS  47           H        LYS  47 -17.157  -2.158  -5.224
  359    HA   LYS  47           HA       LYS  47 -18.231  -0.435  -7.420
  360    HB2  LYS  47           HB2      LYS  47 -17.544   0.690  -5.167
  361    HB3  LYS  47           HB3      LYS  47 -15.898   0.242  -5.583
  362    HG2  LYS  47           HG2      LYS  47 -16.066   2.432  -6.399
  363    HG3  LYS  47           HG3      LYS  47 -16.364   1.467  -7.846
  364    HD2  LYS  47           HD2      LYS  47 -18.035   3.140  -7.898
  365    HD3  LYS  47           HD3      LYS  47 -18.869   1.701  -7.314
  366    HE2  LYS  47           HE2      LYS  47 -18.826   2.495  -5.029
  367    HE3  LYS  47           HE3      LYS  47 -17.749   3.833  -5.453
  368    HZ1  LYS  47           HZ1      LYS  47 -20.120   4.472  -5.242
  369    HZ2  LYS  47           HZ2      LYS  47 -19.502   4.843  -6.702
  370    HZ3  LYS  47           HZ3      LYS  47 -20.494   3.559  -6.555
  371    H    TRP  48           H        TRP  48 -17.355  -0.953  -9.328
  372    HA   TRP  48           HA       TRP  48 -14.924  -2.614  -9.530
  373    HB2  TRP  48           HB2      TRP  48 -16.907  -2.868 -11.053
  374    HB3  TRP  48           HB3      TRP  48 -16.593  -1.265 -11.683
  375    HD1  TRP  48           HD1      TRP  48 -13.233  -2.421 -11.531
  376    HE1  TRP  48           HE1      TRP  48 -12.428  -3.612 -13.593
  377    HE3  TRP  48           HE3      TRP  48 -17.777  -3.277 -13.747
  378    HZ2  TRP  48           HZ2      TRP  48 -13.599  -4.915 -15.912
  379    HZ3  TRP  48           HZ3      TRP  48 -17.885  -4.510 -15.898
  380    HH2  TRP  48           HH2      TRP  48 -15.797  -5.348 -16.969
  381    H    LYS  49           H        LYS  49 -13.125  -1.559  -8.975
  382    HA   LYS  49           HA       LYS  49 -12.800   1.330  -9.237
  383    HB2  LYS  49           HB2      LYS  49 -10.804  -0.798  -8.325
  384    HB3  LYS  49           HB3      LYS  49 -10.749   0.921  -7.956
  385    HG2  LYS  49           HG2      LYS  49 -12.836  -1.065  -6.932
  386    HG3  LYS  49           HG3      LYS  49 -11.408  -0.580  -6.058
  387    HD2  LYS  49           HD2      LYS  49 -13.535   1.435  -6.909
  388    HD3  LYS  49           HD3      LYS  49 -13.584   0.516  -5.402
  389    HE2  LYS  49           HE2      LYS  49 -11.160   1.371  -5.011
  390    HE3  LYS  49           HE3      LYS  49 -11.541   2.592  -6.238
  391    HZ1  LYS  49           HZ1      LYS  49 -13.105   2.108  -3.758
  392    HZ2  LYS  49           HZ2      LYS  49 -11.999   3.306  -3.941
  393    HZ3  LYS  49           HZ3      LYS  49 -13.355   3.345  -4.852
  394    H    LYS  50           H        LYS  50 -13.160   0.618 -11.737
  395    HA   LYS  50           HA       LYS  50 -11.259  -0.974 -13.110
  396    HB2  LYS  50           HB2      LYS  50 -13.519  -0.494 -13.922
  397    HB3  LYS  50           HB3      LYS  50 -13.123   1.216 -14.135
  398    HG2  LYS  50           HG2      LYS  50 -11.494   0.705 -15.862
  399    HG3  LYS  50           HG3      LYS  50 -11.652  -1.034 -15.578
  400    HD2  LYS  50           HD2      LYS  50 -13.884   0.787 -16.596
  401    HD3  LYS  50           HD3      LYS  50 -12.838  -0.207 -17.622
  402    HE2  LYS  50           HE2      LYS  50 -13.624  -2.253 -16.419
  403    HE3  LYS  50           HE3      LYS  50 -14.732  -1.259 -15.469
  404    HZ1  LYS  50           HZ1      LYS  50 -15.857  -2.259 -17.336
  405    HZ2  LYS  50           HZ2      LYS  50 -15.837  -0.640 -17.554
  406    HZ3  LYS  50           HZ3      LYS  50 -14.826  -1.597 -18.412
  407    H    LYS  51           H        LYS  51  -9.142  -0.578 -13.502
  408    HA   LYS  51           HA       LYS  51  -8.166   2.213 -13.473
  409    HB2  LYS  51           HB2      LYS  51  -7.072   0.218 -12.260
  410    HB3  LYS  51           HB3      LYS  51  -6.484  -0.289 -13.850
  411    HG2  LYS  51           HG2      LYS  51  -5.275   1.845 -14.102
  412    HG3  LYS  51           HG3      LYS  51  -5.997   2.461 -12.602
  413    HD2  LYS  51           HD2      LYS  51  -4.822   0.687 -11.322
  414    HD3  LYS  51           HD3      LYS  51  -4.098   0.086 -12.833
  415    HE2  LYS  51           HE2      LYS  51  -3.037   2.308 -13.198
  416    HE3  LYS  51           HE3      LYS  51  -3.757   2.904 -11.701
  417    HZ1  LYS  51           HZ1      LYS  51  -2.449   1.251 -10.490
  418    HZ2  LYS  51           HZ2      LYS  51  -1.782   0.699 -11.878
  419    HZ3  LYS  51           HZ3      LYS  51  -1.470   2.213 -11.366
  420    H    SER  52           H        SER  52  -9.214  -0.050 -15.821
  421    HA   SER  52           HA       SER  52  -7.446   0.245 -17.883
  422    HB2  SER  52           HB2      SER  52 -10.414  -0.270 -18.212
  423    HB3  SER  52           HB3      SER  52  -9.064  -0.990 -19.106
  424    HG   SER  52           HG       SER  52  -9.853  -2.448 -17.570
  425    H    ARG  53           H        ARG  53  -8.664   3.010 -16.901
  426    HA   ARG  53           HA       ARG  53  -9.970   4.184 -19.200
  427    HB2  ARG  53           HB2      ARG  53  -9.971   5.007 -16.776
  428    HB3  ARG  53           HB3      ARG  53  -8.297   5.526 -17.025
  429    HG2  ARG  53           HG2      ARG  53  -9.030   7.081 -18.789
  430    HG3  ARG  53           HG3      ARG  53 -10.711   6.538 -18.605
  431    HD2  ARG  53           HD2      ARG  53 -10.830   7.448 -16.365
  432    HD3  ARG  53           HD3      ARG  53  -9.086   7.617 -16.289
  433    HE   ARG  53           HE       ARG  53  -9.087   9.486 -17.585
  434   HH11  ARG  53          HH12      ARG  53 -12.462   8.273 -17.343
  435   HH12  ARG  53          HH11      ARG  53 -13.148   9.759 -17.902
  436   HH21  ARG  53          HH22      ARG  53 -10.053  11.442 -18.304
  437   HH22  ARG  53          HH21      ARG  53 -11.761  11.582 -18.469
  438    H    LYS  54           H        LYS  54  -8.934   5.630 -20.768
  439    HA   LYS  54           HA       LYS  54  -6.499   4.814 -21.879
  440    HB2  LYS  54           HB2      LYS  54  -8.265   6.163 -23.000
  441    HB3  LYS  54           HB3      LYS  54  -7.802   7.571 -22.032
  442    HG2  LYS  54           HG2      LYS  54  -5.558   7.566 -23.075
  443    HG3  LYS  54           HG3      LYS  54  -5.973   6.095 -23.979
  444    HD2  LYS  54           HD2      LYS  54  -7.777   7.340 -25.164
  445    HD3  LYS  54           HD3      LYS  54  -7.410   8.778 -24.207
  446    HE2  LYS  54           HE2      LYS  54  -6.397   9.072 -26.353
  447    HE3  LYS  54           HE3      LYS  54  -5.110   8.836 -25.170
  448    HZ1  LYS  54           HZ1      LYS  54  -4.916   6.539 -25.946
  449    HZ2  LYS  54           HZ2      LYS  54  -6.134   6.753 -27.019
  450    HZ3  LYS  54           HZ3      LYS  54  -4.737   7.567 -27.194
  451    H    THR  55           H        THR  55  -7.055   7.326 -19.359
  452    HA   THR  55           HA       THR  55  -4.290   8.180 -19.339
  453    HB   THR  55           HB       THR  55  -5.200   9.563 -17.408
  454    HG1  THR  55           HG1      THR  55  -6.930   8.813 -16.573
  455   HG21  THR  55          HG21      THR  55  -6.937   9.657 -19.918
  456   HG22  THR  55          HG22      THR  55  -6.642  10.970 -18.762
  457   HG23  THR  55          HG23      THR  55  -5.315  10.379 -19.780
  458    H    SER  56           H        SER  56  -5.570   5.313 -18.260
  459    HA   SER  56           HA       SER  56  -5.250   3.826 -16.680
  460    HB2  SER  56           HB2      SER  56  -2.584   5.155 -16.115
  461    HB3  SER  56           HB3      SER  56  -3.048   3.480 -15.788
  462    HG   SER  56           HG       SER  56  -1.831   3.706 -17.727
  463    H    THR  57           H        THR  57  -6.279   6.712 -15.840
  464    HA   THR  57           HA       THR  57  -5.892   6.730 -12.975
  465    HB   THR  57           HB       THR  57  -8.273   7.927 -14.386
  466    HG1  THR  57           HG1      THR  57  -5.641   8.974 -14.519
  467   HG21  THR  57          HG21      THR  57  -7.841   9.836 -12.882
  468   HG22  THR  57          HG22      THR  57  -8.095   8.333 -11.986
  469   HG23  THR  57          HG23      THR  57  -6.448   8.974 -12.187
  470    H    ILE  58           H        ILE  58  -7.340   5.983 -11.395
  471    HA   ILE  58           HA       ILE  58  -8.996   3.695 -11.967
  472    HB   ILE  58           HB       ILE  58  -8.709   5.559  -9.594
  473   HG12  ILE  58          HG12      ILE  58  -6.692   4.182 -10.126
  474   HG13  ILE  58          HG13      ILE  58  -7.372   3.890  -8.537
  475   HG21  ILE  58          HG21      ILE  58 -10.909   4.612  -9.354
  476   HG22  ILE  58          HG22      ILE  58 -10.329   2.986  -9.758
  477   HG23  ILE  58          HG23      ILE  58  -9.843   3.764  -8.233
  478   HD11  ILE  58          HD11      ILE  58  -7.870   2.078 -10.934
  479   HD12  ILE  58          HD12      ILE  58  -6.611   1.825  -9.711
  480   HD13  ILE  58          HD13      ILE  58  -8.315   1.765  -9.241
  481    H    GLU  59           H        GLU  59 -11.157   3.587 -12.261
  482    HA   GLU  59           HA       GLU  59 -12.869   6.005 -12.103
  483    HB2  GLU  59           HB2      GLU  59 -13.041   3.738 -14.152
  484    HB3  GLU  59           HB3      GLU  59 -14.207   5.053 -13.949
  485    HG2  GLU  59           HG2      GLU  59 -12.353   6.687 -14.474
  486    HG3  GLU  59           HG3      GLU  59 -11.321   5.314 -14.882
  487    H    GLU  60           H        GLU  60 -15.038   5.386 -11.353
  488    HA   GLU  60           HA       GLU  60 -15.012   2.847  -9.772
  489    HB2  GLU  60           HB2      GLU  60 -15.711   5.685  -8.913
  490    HB3  GLU  60           HB3      GLU  60 -16.049   4.237  -7.968
  491    HG2  GLU  60           HG2      GLU  60 -13.582   3.691  -8.022
  492    HG3  GLU  60           HG3      GLU  60 -13.303   5.262  -8.781
  493    H    LYS  61           H        LYS  61 -16.521   1.634 -10.765
  494    HA   LYS  61           HA       LYS  61 -19.143   2.895 -11.509
  495    HB2  LYS  61           HB2      LYS  61 -17.908   1.916 -13.382
  496    HB3  LYS  61           HB3      LYS  61 -17.741   0.384 -12.508
  497    HG2  LYS  61           HG2      LYS  61 -20.129  -0.005 -12.564
  498    HG3  LYS  61           HG3      LYS  61 -20.425   1.570 -13.296
  499    HD2  LYS  61           HD2      LYS  61 -18.627  -0.518 -14.611
  500    HD3  LYS  61           HD3      LYS  61 -20.364  -0.590 -14.805
  501    HE2  LYS  61           HE2      LYS  61 -18.611   1.779 -15.594
  502    HE3  LYS  61           HE3      LYS  61 -19.241   0.550 -16.695
  503    HZ1  LYS  61           HZ1      LYS  61 -20.623   2.522 -16.728
  504    HZ2  LYS  61           HZ2      LYS  61 -21.501   1.271 -16.123
  505    HZ3  LYS  61           HZ3      LYS  61 -20.918   2.409 -15.119
  506    H    THR  62           H        THR  62 -20.761   2.471 -10.036
  507    HA   THR  62           HA       THR  62 -20.475   0.460  -8.012
  508    HB   THR  62           HB       THR  62 -23.056   1.814  -8.880
  509    HG1  THR  62           HG1      THR  62 -22.390   3.640  -8.010
  510   HG21  THR  62          HG21      THR  62 -21.920   1.084  -6.139
  511   HG22  THR  62          HG22      THR  62 -23.527   1.779  -6.462
  512   HG23  THR  62          HG23      THR  62 -23.143   0.140  -7.013
  513    H    VAL  63           H        VAL  63 -21.048  -1.641  -8.045
  514    HA   VAL  63           HA       VAL  63 -22.736  -2.648 -10.292
  515    HB   VAL  63           HB       VAL  63 -21.120  -4.542 -10.517
  516   HG11  VAL  63          HG11      VAL  63 -21.157  -2.625 -12.123
  517   HG12  VAL  63          HG12      VAL  63 -19.839  -1.867 -11.203
  518   HG13  VAL  63          HG13      VAL  63 -19.584  -3.427 -11.998
  519   HG21  VAL  63          HG21      VAL  63 -18.800  -4.323  -9.798
  520   HG22  VAL  63          HG22      VAL  63 -19.150  -2.786  -8.988
  521   HG23  VAL  63          HG23      VAL  63 -19.859  -4.299  -8.383
  522    H    GLU  64           H        GLU  64 -23.853  -4.552  -9.930
  523    HA   GLU  64           HA       GLU  64 -24.037  -5.478  -7.088
  524    HB2  GLU  64           HB2      GLU  64 -26.189  -4.844  -8.139
  525    HB3  GLU  64           HB3      GLU  64 -25.875  -5.948  -9.482
  526    HG2  GLU  64           HG2      GLU  64 -25.886  -7.865  -7.895
  527    HG3  GLU  64           HG3      GLU  64 -26.149  -6.747  -6.553
  528    H    VAL  65           H        VAL  65 -23.004  -7.410  -6.727
  529    HA   VAL  65           HA       VAL  65 -21.677  -8.723  -9.035
  530    HB   VAL  65           HB       VAL  65 -21.033  -9.034  -6.080
  531   HG11  VAL  65          HG11      VAL  65 -19.476  -9.565  -8.656
  532   HG12  VAL  65          HG12      VAL  65 -18.833  -9.787  -7.018
  533   HG13  VAL  65          HG13      VAL  65 -20.168 -10.801  -7.581
  534   HG21  VAL  65          HG21      VAL  65 -19.139  -7.469  -6.443
  535   HG22  VAL  65          HG22      VAL  65 -19.781  -7.063  -8.047
  536   HG23  VAL  65          HG23      VAL  65 -20.693  -6.655  -6.580
  537    H    LEU  66           H        LEU  66 -22.724 -10.431  -9.793
  538    HA   LEU  66           HA       LEU  66 -25.057 -11.465  -8.415
  539    HB2  LEU  66           HB2      LEU  66 -23.673 -12.106 -11.048
  540    HB3  LEU  66           HB3      LEU  66 -25.000 -13.082 -10.439
  541    HG   LEU  66           HG       LEU  66 -26.495 -11.112 -10.404
  542   HD11  LEU  66          HD11      LEU  66 -24.954  -9.232 -10.238
  543   HD12  LEU  66          HD12      LEU  66 -24.170  -9.685 -11.772
  544   HD13  LEU  66          HD13      LEU  66 -25.849  -9.102 -11.744
  545   HD21  LEU  66          HD21      LEU  66 -26.761 -11.012 -12.874
  546   HD22  LEU  66          HD22      LEU  66 -25.150 -11.744 -13.065
  547   HD23  LEU  66          HD23      LEU  66 -26.465 -12.661 -12.306
  548    H    GLY  67           H        GLY  67 -21.713 -12.576  -8.879
  549    HA2  GLY  67           HA2      GLY  67 -21.370 -14.416  -6.935
  550    HA3  GLY  67           HA3      GLY  67 -22.231 -15.330  -8.198
  551    H    MET  68           H        MET  68 -19.876 -16.321  -7.983
  552    HA   MET  68           HA       MET  68 -17.792 -15.020  -9.533
  553    HB2  MET  68           HB2      MET  68 -18.191 -17.951  -8.830
  554    HB3  MET  68           HB3      MET  68 -16.834 -17.282  -9.730
  555    HG2  MET  68           HG2      MET  68 -16.717 -15.605  -7.635
  556    HG3  MET  68           HG3      MET  68 -17.521 -16.953  -6.836
  557    HE1  MET  68           HE1      MET  68 -13.270 -16.934  -8.651
  558    HE2  MET  68           HE2      MET  68 -14.699 -16.824  -9.682
  559    HE3  MET  68           HE3      MET  68 -14.349 -15.526  -8.521
  560    H    ALA  69           H        ALA  69 -17.136 -15.519 -11.625
  561    HA   ALA  69           HA       ALA  69 -19.229 -15.899 -13.606
  562    HB1  ALA  69           HB1      ALA  69 -16.198 -15.912 -13.896
  563    HB2  ALA  69           HB2      ALA  69 -17.374 -15.561 -15.169
  564    HB3  ALA  69           HB3      ALA  69 -17.175 -14.424 -13.838
  565    HA   PRO  70           HA       PRO  70 -18.874 -20.322 -14.364
  566    HB2  PRO  70           HB2      PRO  70 -17.588 -19.660 -17.027
  567    HB3  PRO  70           HB3      PRO  70 -18.848 -20.883 -16.660
  568    HG2  PRO  70           HG2      PRO  70 -19.563 -18.510 -17.740
  569    HG3  PRO  70           HG3      PRO  70 -20.514 -19.177 -16.372
  570    HD2  PRO  70           HD2      PRO  70 -18.360 -17.064 -16.316
  571    HD3  PRO  70           HD3      PRO  70 -19.944 -17.067 -15.479
  572    H    ASP  71           H        ASP  71 -17.376 -21.824 -13.774
  573    HA   ASP  71           HA       ASP  71 -14.835 -21.086 -12.874
  574    HB2  ASP  71           HB2      ASP  71 -14.485 -23.337 -12.334
  575    HB3  ASP  71           HB3      ASP  71 -16.214 -23.089 -12.154
  576    H    ASP  72           H        ASP  72 -15.835 -22.266 -16.052
  577    HA   ASP  72           HA       ASP  72 -13.347 -23.051 -17.113
  578    HB2  ASP  72           HB2      ASP  72 -15.501 -23.521 -18.178
  579    HB3  ASP  72           HB3      ASP  72 -15.766 -21.798 -18.465
  580    H    GLU  73           H        GLU  73 -14.623 -19.775 -16.574
  581    HA   GLU  73           HA       GLU  73 -12.487 -18.559 -18.236
  582    HB2  GLU  73           HB2      GLU  73 -14.696 -17.331 -16.522
  583    HB3  GLU  73           HB3      GLU  73 -13.483 -16.420 -17.433
  584    HG2  GLU  73           HG2      GLU  73 -14.260 -17.597 -19.534
  585    HG3  GLU  73           HG3      GLU  73 -15.574 -18.311 -18.596
  586    H    CYS  74           H        CYS  74 -13.125 -19.518 -14.943
  587    HA   CYS  74           HA       CYS  74 -11.280 -17.577 -13.793
  588    HB2  CYS  74           HB2      CYS  74 -12.968 -19.734 -12.468
  589    HB3  CYS  74           HB3      CYS  74 -12.076 -18.435 -11.651
  590    HG   CYS  74           HG       CYS  74 -14.618 -18.251 -13.774
  591    H    LEU  75           H        LEU  75 -10.259 -19.811 -15.509
  592    HA   LEU  75           HA       LEU  75  -8.719 -21.592 -13.800
  593    HB2  LEU  75           HB2      LEU  75  -9.021 -21.061 -16.747
  594    HB3  LEU  75           HB3      LEU  75  -7.446 -21.614 -16.255
  595    HG   LEU  75           HG       LEU  75  -8.755 -23.466 -16.989
  596   HD11  LEU  75          HD11      LEU  75  -8.469 -23.735 -13.966
  597   HD12  LEU  75          HD12      LEU  75  -8.377 -25.003 -15.196
  598   HD13  LEU  75          HD13      LEU  75  -7.117 -23.760 -15.115
  599   HD21  LEU  75          HD21      LEU  75 -10.721 -22.887 -14.751
  600   HD22  LEU  75          HD22      LEU  75 -11.010 -22.656 -16.480
  601   HD23  LEU  75          HD23      LEU  75 -10.747 -24.285 -15.840
  602    H    LYS  76           H        LYS  76  -8.460 -18.310 -14.442
  603    HA   LYS  76           HA       LYS  76  -5.528 -18.260 -13.940
  604    HB2  LYS  76           HB2      LYS  76  -5.336 -16.530 -15.695
  605    HB3  LYS  76           HB3      LYS  76  -5.883 -18.083 -16.325
  606    HG2  LYS  76           HG2      LYS  76  -8.269 -17.184 -16.256
  607    HG3  LYS  76           HG3      LYS  76  -7.593 -15.601 -15.836
  608    HD2  LYS  76           HD2      LYS  76  -6.335 -15.559 -17.942
  609    HD3  LYS  76           HD3      LYS  76  -6.906 -17.178 -18.363
  610    HE2  LYS  76           HE2      LYS  76  -8.697 -14.739 -17.942
  611    HE3  LYS  76           HE3      LYS  76  -8.129 -15.306 -19.510
  612    HZ1  LYS  76           HZ1      LYS  76  -9.319 -17.386 -19.136
  613    HZ2  LYS  76           HZ2      LYS  76  -9.906 -16.860 -17.692
  614    HZ3  LYS  76           HZ3      LYS  76 -10.332 -16.115 -19.083
  615    H    ASP  77           H        ASP  77  -8.702 -16.661 -13.493
  616    HA   ASP  77           HA       ASP  77  -7.540 -14.977 -11.372
  617    HB2  ASP  77           HB2      ASP  77  -7.206 -13.603 -13.400
  618    HB3  ASP  77           HB3      ASP  77  -8.886 -13.840 -13.863
  619    H    MET  78           H        MET  78  -9.245 -14.277  -9.933
  620    HA   MET  78           HA       MET  78 -11.629 -15.959 -10.020
  621    HB2  MET  78           HB2      MET  78 -10.731 -13.785  -8.086
  622    HB3  MET  78           HB3      MET  78 -12.133 -14.824  -7.858
  623    HG2  MET  78           HG2      MET  78  -9.230 -15.737  -7.996
  624    HG3  MET  78           HG3      MET  78 -10.209 -15.564  -6.554
  625    HE1  MET  78           HE1      MET  78  -9.969 -19.216  -9.278
  626    HE2  MET  78           HE2      MET  78 -10.088 -17.626 -10.048
  627    HE3  MET  78           HE3      MET  78  -8.735 -17.982  -8.948
  628    H    TYR  79           H        TYR  79 -12.627 -15.198 -12.020
  629    HA   TYR  79           HA       TYR  79 -13.479 -12.419 -12.221
  630    HB2  TYR  79           HB2      TYR  79 -14.181 -14.916 -13.798
  631    HB3  TYR  79           HB3      TYR  79 -14.836 -13.331 -14.146
  632    HD1  TYR  79           HD2      TYR  79 -13.338 -11.463 -14.905
  633    HD2  TYR  79           HD1      TYR  79 -11.971 -15.534 -14.529
  634    HE1  TYR  79           HE2      TYR  79 -11.436 -10.952 -16.400
  635    HE2  TYR  79           HE1      TYR  79 -10.046 -15.029 -15.986
  636    HH   TYR  79           HH       TYR  79  -9.503 -11.777 -17.425
  637    H    VAL  80           H        VAL  80 -15.618 -11.642 -12.099
  638    HA   VAL  80           HA       VAL  80 -17.689 -13.391 -10.864
  639    HB   VAL  80           HB       VAL  80 -18.323 -11.366  -9.515
  640   HG11  VAL  80          HG11      VAL  80 -16.664 -11.751  -7.728
  641   HG12  VAL  80          HG12      VAL  80 -17.250 -13.252  -8.431
  642   HG13  VAL  80          HG13      VAL  80 -15.637 -12.647  -8.870
  643   HG21  VAL  80          HG21      VAL  80 -16.968  -9.647 -10.739
  644   HG22  VAL  80          HG22      VAL  80 -16.679  -9.652  -8.995
  645   HG23  VAL  80          HG23      VAL  80 -15.490 -10.383 -10.088
  646    H    GLU  81           H        GLU  81 -19.838 -12.851 -11.404
  647    HA   GLU  81           HA       GLU  81 -20.123 -11.295 -13.932
  648    HB2  GLU  81           HB2      GLU  81 -21.955 -13.159 -12.375
  649    HB3  GLU  81           HB3      GLU  81 -22.564 -12.064 -13.629
  650    HG2  GLU  81           HG2      GLU  81 -21.008 -13.049 -15.278
  651    HG3  GLU  81           HG3      GLU  81 -20.409 -14.165 -14.056
  652    H    VAL  82           H        VAL  82 -21.239  -9.371 -13.997
  653    HA   VAL  82           HA       VAL  82 -22.110  -8.198 -11.435
  654    HB   VAL  82           HB       VAL  82 -20.786  -6.141 -12.035
  655   HG11  VAL  82          HG11      VAL  82 -20.091  -7.700 -10.252
  656   HG12  VAL  82          HG12      VAL  82 -19.091  -8.591 -11.418
  657   HG13  VAL  82          HG13      VAL  82 -18.723  -6.899 -11.031
  658   HG21  VAL  82          HG21      VAL  82 -20.251  -6.681 -14.413
  659   HG22  VAL  82          HG22      VAL  82 -18.834  -6.275 -13.449
  660   HG23  VAL  82          HG23      VAL  82 -19.166  -7.973 -13.853
  661    H    ALA  83           H        ALA  83 -23.637  -6.621 -11.618
  662    HA   ALA  83           HA       ALA  83 -24.635  -5.983 -14.372
  663    HB1  ALA  83           HB1      ALA  83 -26.176  -6.042 -11.749
  664    HB2  ALA  83           HB2      ALA  83 -26.819  -5.570 -13.340
  665    HB3  ALA  83           HB3      ALA  83 -26.291  -7.238 -13.059
  666    H    ASP  84           H        ASP  84 -24.745  -3.848 -14.896
  667    HA   ASP  84           HA       ASP  84 -23.097  -2.048 -13.298
  668    HB2  ASP  84           HB2      ASP  84 -22.791  -2.256 -15.712
  669    HB3  ASP  84           HB3      ASP  84 -24.452  -1.706 -15.985
  670    H    ILE  85           H        ILE  85 -24.873  -2.233 -11.559
  671    HA   ILE  85           HA       ILE  85 -27.268  -0.727 -11.813
  672    HB   ILE  85           HB       ILE  85 -27.333  -0.672  -9.390
  673   HG12  ILE  85          HG12      ILE  85 -24.553  -1.868  -9.386
  674   HG13  ILE  85          HG13      ILE  85 -24.927  -0.206  -8.940
  675   HG21  ILE  85          HG21      ILE  85 -26.334  -3.394 -10.332
  676   HG22  ILE  85          HG22      ILE  85 -27.520  -3.046  -9.055
  677   HG23  ILE  85          HG23      ILE  85 -27.928  -2.723 -10.736
  678   HD11  ILE  85          HD11      ILE  85 -26.326  -1.005  -7.063
  679   HD12  ILE  85          HD12      ILE  85 -25.912  -2.686  -7.469
  680   HD13  ILE  85          HD13      ILE  85 -24.650  -1.579  -6.940
  681    H    GLY  86           H        GLY  86 -24.009   0.424 -11.696
  682    HA2  GLY  86           HA2      GLY  86 -24.671   3.143 -10.839
  683    HA3  GLY  86           HA3      GLY  86 -23.115   2.513 -11.401
  684    H    GLY  87           H        GLY  87 -25.132   1.419 -13.769
  685    HA2  GLY  87           HA2      GLY  87 -25.328   3.922 -15.348
  686    HA3  GLY  87           HA3      GLY  87 -24.183   2.678 -15.864
  687    H    LYS  88           H        LYS  88 -24.950   0.769 -16.819
  688    HA   LYS  88           HA       LYS  88 -27.311   1.123 -18.334
  689    HB2  LYS  88           HB2      LYS  88 -25.859  -1.507 -17.805
  690    HB3  LYS  88           HB3      LYS  88 -26.975  -1.189 -19.122
  691    HG2  LYS  88           HG2      LYS  88 -24.254   0.128 -18.736
  692    HG3  LYS  88           HG3      LYS  88 -24.659  -1.142 -19.881
  693    HD2  LYS  88           HD2      LYS  88 -26.273   0.405 -21.009
  694    HD3  LYS  88           HD3      LYS  88 -25.763   1.701 -19.901
  695    HE2  LYS  88           HE2      LYS  88 -23.425   1.465 -20.696
  696    HE3  LYS  88           HE3      LYS  88 -23.925   0.178 -21.801
  697    HZ1  LYS  88           HZ1      LYS  88 -25.320   1.797 -22.951
  698    HZ2  LYS  88           HZ2      LYS  88 -24.858   2.989 -21.930
  699    HZ3  LYS  88           HZ3      LYS  88 -23.773   2.302 -22.930
  700    H    ASP  89           H        ASP  89 -26.873  -0.596 -15.325
  701    HA   ASP  89           HA       ASP  89 -28.100  -1.589 -13.826
  702    HB2  ASP  89           HB2      ASP  89 -29.084   0.616 -13.692
  703    HB3  ASP  89           HB3      ASP  89 -30.274   0.206 -14.928
  704    H    ASP  90           H        ASP  90 -29.531  -1.952 -17.001
  705    HA   ASP  90           HA       ASP  90 -31.189  -4.235 -16.111
  706    HB2  ASP  90           HB2      ASP  90 -32.158  -2.229 -17.256
  707    HB3  ASP  90           HB3      ASP  90 -31.161  -2.599 -18.666
  708    H    ASP  91           H        ASP  91 -28.115  -4.055 -17.042
  709    HA   ASP  91           HA       ASP  91 -28.224  -6.582 -18.577
  710    HB2  ASP  91           HB2      ASP  91 -27.965  -4.575 -20.158
  711    HB3  ASP  91           HB3      ASP  91 -26.366  -4.356 -19.430
  712    H    VAL  92           H        VAL  92 -26.050  -7.585 -18.722
  713    HA   VAL  92           HA       VAL  92 -24.578  -7.295 -16.152
  714    HB   VAL  92           HB       VAL  92 -25.592  -9.885 -17.387
  715   HG11  VAL  92          HG11      VAL  92 -25.035 -10.944 -15.277
  716   HG12  VAL  92          HG12      VAL  92 -23.594 -10.167 -15.914
  717   HG13  VAL  92          HG13      VAL  92 -24.496  -9.400 -14.586
  718   HG21  VAL  92          HG21      VAL  92 -27.575  -8.714 -16.615
  719   HG22  VAL  92          HG22      VAL  92 -27.202  -9.990 -15.463
  720   HG23  VAL  92          HG23      VAL  92 -26.789  -8.306 -15.075
  721    H    TYR  93           H        TYR  93 -22.468  -7.974 -16.193
  722    HA   TYR  93           HA       TYR  93 -21.113  -8.729 -18.718
  723    HB2  TYR  93           HB2      TYR  93 -20.378  -6.395 -16.886
  724    HB3  TYR  93           HB3      TYR  93 -19.453  -6.934 -18.276
  725    HD1  TYR  93           HD2      TYR  93 -20.204  -6.498 -20.580
  726    HD2  TYR  93           HD1      TYR  93 -22.452  -5.085 -17.175
  727    HE1  TYR  93           HE2      TYR  93 -21.481  -4.976 -22.058
  728    HE2  TYR  93           HE1      TYR  93 -23.751  -3.582 -18.643
  729    HH   TYR  93           HH       TYR  93 -24.100  -2.847 -20.844
  730    H    THR  94           H        THR  94 -18.543  -8.760 -17.790
  731    HA   THR  94           HA       THR  94 -18.548 -10.253 -15.218
  732    HB   THR  94           HB       THR  94 -16.925 -10.920 -17.706
  733    HG1  THR  94           HG1      THR  94 -19.084 -11.517 -17.921
  734   HG21  THR  94          HG21      THR  94 -16.328 -12.994 -16.457
  735   HG22  THR  94          HG22      THR  94 -15.697 -11.539 -15.679
  736   HG23  THR  94          HG23      THR  94 -17.135 -12.341 -15.014
  737    H    ALA  95           H        ALA  95 -16.742  -9.843 -13.929
  738    HA   ALA  95           HA       ALA  95 -14.788  -7.801 -14.817
  739    HB1  ALA  95           HB1      ALA  95 -16.469  -7.653 -12.272
  740    HB2  ALA  95           HB2      ALA  95 -15.094  -6.593 -12.649
  741    HB3  ALA  95           HB3      ALA  95 -16.549  -6.537 -13.654
  742    H    LYS  96           H        LYS  96 -12.908  -7.753 -13.453
  743    HA   LYS  96           HA       LYS  96 -12.123 -10.395 -12.398
  744    HB2  LYS  96           HB2      LYS  96 -10.638  -7.726 -12.272
  745    HB3  LYS  96           HB3      LYS  96 -10.013  -9.302 -11.864
  746    HG2  LYS  96           HG2      LYS  96  -9.057  -8.694 -13.920
  747    HG3  LYS  96           HG3      LYS  96 -10.169 -10.012 -14.227
  748    HD2  LYS  96           HD2      LYS  96 -10.140  -8.250 -15.999
  749    HD3  LYS  96           HD3      LYS  96 -11.723  -8.570 -15.340
  750    HE2  LYS  96           HE2      LYS  96 -11.601  -6.221 -15.605
  751    HE3  LYS  96           HE3      LYS  96 -11.476  -6.505 -13.871
  752    HZ1  LYS  96           HZ1      LYS  96  -9.293  -5.763 -15.721
  753    HZ2  LYS  96           HZ2      LYS  96  -9.899  -4.893 -14.464
  754    HZ3  LYS  96           HZ3      LYS  96  -9.006  -6.241 -14.183
  755    H    LEU  97           H        LEU  97 -12.445 -10.918 -10.163
  756    HA   LEU  97           HA       LEU  97 -13.613  -9.019  -8.354
  757    HB2  LEU  97           HB2      LEU  97 -13.681 -11.491  -8.032
  758    HB3  LEU  97           HB3      LEU  97 -11.928 -11.490  -7.779
  759    HG   LEU  97           HG       LEU  97 -12.219 -10.098  -5.742
  760   HD11  LEU  97          HD11      LEU  97 -14.561  -9.870  -4.806
  761   HD12  LEU  97          HD12      LEU  97 -14.285  -8.889  -6.237
  762   HD13  LEU  97          HD13      LEU  97 -15.198 -10.409  -6.365
  763   HD21  LEU  97          HD21      LEU  97 -13.962 -12.585  -5.719
  764   HD22  LEU  97          HD22      LEU  97 -12.182 -12.600  -5.717
  765   HD23  LEU  97          HD23      LEU  97 -13.045 -11.888  -4.362
  766    H    SER  98           H        SER  98 -10.314  -9.896  -9.242
  767    HA   SER  98           HA       SER  98  -8.701  -8.528  -7.509
  768    HB2  SER  98           HB2      SER  98  -8.314  -8.740 -10.513
  769    HB3  SER  98           HB3      SER  98  -7.080  -8.810  -9.248
  770    HG   SER  98           HG       SER  98  -7.985 -10.892 -10.276
  771    H    ASP  99           H        ASP  99 -11.004  -7.050  -9.628
  772    HA   ASP  99           HA       ASP  99  -9.624  -4.427  -9.509
  773    HB2  ASP  99           HB2      ASP  99  -9.724  -5.707 -11.723
  774    HB3  ASP  99           HB3      ASP  99 -11.470  -5.460 -11.689
  775    H    ILE 100           H        ILE 100 -11.783  -5.937  -7.876
  776    HA   ILE 100           HA       ILE 100 -13.798  -3.740  -7.804
  777    HB   ILE 100           HB       ILE 100 -14.076  -6.687  -8.020
  778   HG12  ILE 100          HG12      ILE 100 -15.964  -4.378  -8.625
  779   HG13  ILE 100          HG13      ILE 100 -14.711  -4.966  -9.740
  780   HG21  ILE 100          HG21      ILE 100 -14.942  -6.454  -5.705
  781   HG22  ILE 100          HG22      ILE 100 -16.119  -5.250  -6.288
  782   HG23  ILE 100          HG23      ILE 100 -16.176  -6.931  -6.851
  783   HD11  ILE 100          HD11      ILE 100 -15.864  -7.205  -9.732
  784   HD12  ILE 100          HD12      ILE 100 -17.194  -6.443  -8.812
  785   HD13  ILE 100          HD13      ILE 100 -16.794  -5.861 -10.433
  786    H    GLU 101           H        GLU 101 -14.703  -3.266  -5.886
  787    HA   GLU 101           HA       GLU 101 -13.301  -4.073  -3.378
  788    HB2  GLU 101           HB2      GLU 101 -12.670  -1.799  -4.031
  789    HB3  GLU 101           HB3      GLU 101 -14.371  -1.356  -4.263
  790    HG2  GLU 101           HG2      GLU 101 -14.826  -1.561  -1.892
  791    HG3  GLU 101           HG3      GLU 101 -13.247  -2.293  -1.601
  792    H    ALA 102           H        ALA 102 -14.728  -5.146  -2.091
  793    HA   ALA 102           HA       ALA 102 -17.544  -5.315  -2.873
  794    HB1  ALA 102           HB1      ALA 102 -16.111  -6.494  -0.448
  795    HB2  ALA 102           HB2      ALA 102 -17.701  -6.960  -1.096
  796    HB3  ALA 102           HB3      ALA 102 -16.234  -7.263  -2.046
  797    H    ILE 103           H        ILE 103 -19.258  -4.419  -1.836
  798    HA   ILE 103           HA       ILE 103 -18.787  -2.640   0.521
  799    HB   ILE 103           HB       ILE 103 -20.259  -2.161  -2.080
  800   HG12  ILE 103          HG12      ILE 103 -18.115  -0.516  -0.655
  801   HG13  ILE 103          HG13      ILE 103 -17.782  -1.670  -1.945
  802   HG21  ILE 103          HG21      ILE 103 -21.759  -1.373  -0.282
  803   HG22  ILE 103          HG22      ILE 103 -20.431  -0.422   0.423
  804   HG23  ILE 103          HG23      ILE 103 -21.107  -0.021  -1.171
  805   HD11  ILE 103          HD11      ILE 103 -19.402   0.867  -2.238
  806   HD12  ILE 103          HD12      ILE 103 -17.802   0.498  -2.894
  807   HD13  ILE 103          HD13      ILE 103 -19.224  -0.395  -3.488
  808    H    ASP 104           H        ASP 104 -20.253  -2.757   2.110
  809    HA   ASP 104           HA       ASP 104 -21.923  -3.461   3.404
  810    HB2  ASP 104           HB2      ASP 104 -23.025  -1.814   1.934
  811    HB3  ASP 104           HB3      ASP 104 -23.582  -3.121   0.889
  812    H    VAL 105           H        VAL 105 -20.404  -5.621   2.368
  813    HA   VAL 105           HA       VAL 105 -22.439  -7.779   2.165
  814    HB   VAL 105           HB       VAL 105 -20.711  -7.378   0.340
  815   HG11  VAL 105          HG11      VAL 105 -18.522  -8.401   0.559
  816   HG12  VAL 105          HG12      VAL 105 -18.693  -7.057   1.698
  817   HG13  VAL 105          HG13      VAL 105 -18.812  -8.732   2.272
  818   HG21  VAL 105          HG21      VAL 105 -20.597  -9.660  -0.218
  819   HG22  VAL 105          HG22      VAL 105 -20.851 -10.178   1.460
  820   HG23  VAL 105          HG23      VAL 105 -22.149  -9.372   0.576
  821    H    ASP 106           H        ASP 106 -21.648  -9.934   3.166
  822    HA   ASP 106           HA       ASP 106 -21.453  -9.583   6.008
  823    HB2  ASP 106           HB2      ASP 106 -22.612 -11.489   4.937
  824    HB3  ASP 106           HB3      ASP 106 -21.061 -12.046   4.279
  825    H    ASP 107           H        ASP 107 -19.785 -10.336   7.366
  826    HA   ASP 107           HA       ASP 107 -17.210  -9.330   6.783
  827    HB2  ASP 107           HB2      ASP 107 -18.090  -9.549   9.053
  828    HB3  ASP 107           HB3      ASP 107 -18.130 -11.308   8.900
  829    H    ASP 108           H        ASP 108 -18.428 -12.749   6.563
  830    HA   ASP 108           HA       ASP 108 -15.726 -13.726   6.178
  831    HB2  ASP 108           HB2      ASP 108 -17.807 -15.011   7.065
  832    HB3  ASP 108           HB3      ASP 108 -18.227 -15.222   5.355
  833    H    THR 109           H        THR 109 -18.206 -12.421   4.095
  834    HA   THR 109           HA       THR 109 -17.110 -13.449   1.562
  835    HB   THR 109           HB       THR 109 -19.090 -11.199   2.182
  836    HG1  THR 109           HG1      THR 109 -19.636 -13.458   2.721
  837   HG21  THR 109          HG21      THR 109 -18.164 -12.486  -0.373
  838   HG22  THR 109          HG22      THR 109 -19.773 -11.772  -0.258
  839   HG23  THR 109          HG23      THR 109 -18.324 -10.769  -0.009
  840    H    GLN 110           H        GLN 110 -17.144 -10.314   3.398
  841    HA   GLN 110           HA       GLN 110 -15.464  -8.940   1.624
  842    HB2  GLN 110           HB2      GLN 110 -16.889  -8.184   3.736
  843    HB3  GLN 110           HB3      GLN 110 -15.377  -8.401   4.608
  844    HG2  GLN 110           HG2      GLN 110 -15.868  -6.598   2.188
  845    HG3  GLN 110           HG3      GLN 110 -15.757  -6.066   3.858
  846   HE21  GLN 110          HE22      GLN 110 -13.959  -6.525   0.988
  847   HE22  GLN 110          HE21      GLN 110 -12.360  -6.449   1.679
  848    H    GLU 111           H        GLU 111 -14.597 -10.911   4.538
  849    HA   GLU 111           HA       GLU 111 -11.802 -10.474   4.348
  850    HB2  GLU 111           HB2      GLU 111 -13.485 -12.693   5.567
  851    HB3  GLU 111           HB3      GLU 111 -11.729 -12.680   5.688
  852    HG2  GLU 111           HG2      GLU 111 -13.461 -10.357   6.653
  853    HG3  GLU 111           HG3      GLU 111 -12.973 -11.707   7.669
  854    H    ALA 112           H        ALA 112 -13.871 -12.975   2.747
  855    HA   ALA 112           HA       ALA 112 -11.650 -14.497   1.739
  856    HB1  ALA 112           HB1      ALA 112 -14.465 -14.198   0.595
  857    HB2  ALA 112           HB2      ALA 112 -13.286 -15.463   0.189
  858    HB3  ALA 112           HB3      ALA 112 -13.951 -15.377   1.826
  859    H    ILE 113           H        ILE 113 -13.543 -11.760   0.409
  860    HA   ILE 113           HA       ILE 113 -12.203 -11.655  -2.120
  861    HB   ILE 113           HB       ILE 113 -13.800  -9.623  -0.505
  862   HG12  ILE 113          HG12      ILE 113 -14.602 -11.256  -2.960
  863   HG13  ILE 113          HG13      ILE 113 -14.936 -11.764  -1.326
  864   HG21  ILE 113          HG21      ILE 113 -14.027  -8.350  -2.676
  865   HG22  ILE 113          HG22      ILE 113 -12.406  -8.324  -2.000
  866   HG23  ILE 113          HG23      ILE 113 -12.764  -9.397  -3.361
  867   HD11  ILE 113          HD11      ILE 113 -16.909 -10.763  -2.112
  868   HD12  ILE 113          HD12      ILE 113 -16.202  -9.602  -0.972
  869   HD13  ILE 113          HD13      ILE 113 -16.059  -9.346  -2.736
  870    H    ALA 114           H        ALA 114 -11.692  -9.880   0.981
  871    HA   ALA 114           HA       ALA 114  -9.509  -8.300   0.134
  872    HB1  ALA 114           HB1      ALA 114 -10.746  -7.948   2.255
  873    HB2  ALA 114           HB2      ALA 114 -10.077  -9.466   2.897
  874    HB3  ALA 114           HB3      ALA 114  -9.002  -8.104   2.530
  875    H    ASP 115           H        ASP 115  -9.598 -11.636   1.495
  876    HA   ASP 115           HA       ASP 115  -6.765 -11.892   1.645
  877    HB2  ASP 115           HB2      ASP 115  -8.354 -13.303   2.908
  878    HB3  ASP 115           HB3      ASP 115  -8.842 -14.093   1.401
  879    H    TRP 116           H        TRP 116  -9.063 -12.650  -1.032
  880    HA   TRP 116           HA       TRP 116  -7.098 -13.832  -2.772
  881    HB2  TRP 116           HB2      TRP 116  -9.388 -14.082  -3.395
  882    HB3  TRP 116           HB3      TRP 116  -9.700 -12.359  -3.264
  883    HD1  TRP 116           HD1      TRP 116  -9.666 -11.030  -5.407
  884    HE1  TRP 116           HE1      TRP 116  -8.708 -11.281  -7.780
  885    HE3  TRP 116           HE3      TRP 116  -7.183 -15.483  -4.854
  886    HZ2  TRP 116           HZ2      TRP 116  -7.106 -13.147  -9.242
  887    HZ3  TRP 116           HZ3      TRP 116  -5.930 -16.458  -6.746
  888    HH2  TRP 116           HH2      TRP 116  -5.880 -15.305  -8.950
  889    H    LEU 117           H        LEU 117  -8.156 -10.424  -2.267
  890    HA   LEU 117           HA       LEU 117  -6.469  -9.318  -4.282
  891    HB2  LEU 117           HB2      LEU 117  -7.657  -8.143  -1.737
  892    HB3  LEU 117           HB3      LEU 117  -6.766  -7.178  -2.901
  893    HG   LEU 117           HG       LEU 117  -9.185  -8.820  -3.757
  894   HD11  LEU 117          HD11      LEU 117  -9.939  -7.378  -1.937
  895   HD12  LEU 117          HD12      LEU 117  -9.179  -5.963  -2.701
  896   HD13  LEU 117          HD13      LEU 117 -10.550  -6.782  -3.486
  897   HD21  LEU 117          HD21      LEU 117  -7.895  -6.309  -4.910
  898   HD22  LEU 117          HD22      LEU 117  -7.704  -7.953  -5.548
  899   HD23  LEU 117          HD23      LEU 117  -9.297  -7.175  -5.572
  900    H    TYR 118           H        TYR 118  -5.933  -9.796  -0.749
  901    HA   TYR 118           HA       TYR 118  -3.323  -8.682  -0.680
  902    HB2  TYR 118           HB2      TYR 118  -4.509 -10.889   1.045
  903    HB3  TYR 118           HB3      TYR 118  -3.060  -9.971   1.416
  904    HD1  TYR 118           HD2      TYR 118  -4.547  -7.206   0.406
  905    HD2  TYR 118           HD1      TYR 118  -5.376 -10.344   3.260
  906    HE1  TYR 118           HE2      TYR 118  -5.882  -5.632   1.738
  907    HE2  TYR 118           HE1      TYR 118  -6.724  -8.764   4.602
  908    HH   TYR 118           HH       TYR 118  -7.186  -5.326   3.647
  909    H    TRP 119           H        TRP 119  -4.391 -12.105  -1.240
  910    HA   TRP 119           HA       TRP 119  -1.793 -13.226  -1.415
  911    HB2  TRP 119           HB2      TRP 119  -3.660 -14.693  -1.268
  912    HB3  TRP 119           HB3      TRP 119  -4.491 -13.923  -2.613
  913    HD1  TRP 119           HD1      TRP 119  -4.035 -14.732  -5.000
  914    HE1  TRP 119           HE1      TRP 119  -2.655 -16.617  -6.080
  915    HE3  TRP 119           HE3      TRP 119  -1.332 -16.165  -0.894
  916    HZ2  TRP 119           HZ2      TRP 119  -0.723 -18.584  -5.203
  917    HZ3  TRP 119           HZ3      TRP 119   0.282 -18.043  -1.049
  918    HH2  TRP 119           HH2      TRP 119   0.590 -19.258  -3.196
  919    H    LEU 120           H        LEU 120  -3.907 -11.763  -3.952
  920    HA   LEU 120           HA       LEU 120  -2.192 -12.435  -6.082
  921    HB2  LEU 120           HB2      LEU 120  -4.620 -11.764  -6.230
  922    HB3  LEU 120           HB3      LEU 120  -4.151 -10.101  -5.868
  923    HG   LEU 120           HG       LEU 120  -2.749 -10.084  -7.963
  924   HD11  LEU 120          HD11      LEU 120  -2.317 -12.493  -8.224
  925   HD12  LEU 120          HD12      LEU 120  -4.051 -12.815  -8.417
  926   HD13  LEU 120          HD13      LEU 120  -3.163 -11.886  -9.647
  927   HD21  LEU 120          HD21      LEU 120  -5.684 -10.814  -8.332
  928   HD22  LEU 120          HD22      LEU 120  -5.046  -9.201  -7.945
  929   HD23  LEU 120          HD23      LEU 120  -4.668  -9.948  -9.506
  930    H    ALA 121           H        ALA 121  -2.426  -9.498  -4.065
  931    HA   ALA 121           HA       ALA 121  -0.366  -8.005  -5.374
  932    HB1  ALA 121           HB1      ALA 121  -2.074  -6.957  -4.005
  933    HB2  ALA 121           HB2      ALA 121  -1.605  -7.913  -2.592
  934    HB3  ALA 121           HB3      ALA 121  -0.495  -6.670  -3.237
  935    H    ARG 122           H        ARG 122  -0.306 -10.324  -2.612
  936    HA   ARG 122           HA       ARG 122   2.438  -9.919  -1.932
  937    HB2  ARG 122           HB2      ARG 122   0.726 -10.979  -0.466
  938    HB3  ARG 122           HB3      ARG 122   0.619 -12.345  -1.564
  939    HG2  ARG 122           HG2      ARG 122   1.868 -12.903   0.417
  940    HG3  ARG 122           HG3      ARG 122   2.902 -13.046  -0.990
  941    HD2  ARG 122           HD2      ARG 122   2.894 -10.485   0.652
  942    HD3  ARG 122           HD3      ARG 122   3.763 -11.919   1.224
  943    HE   ARG 122           HE       ARG 122   4.443 -11.368  -1.503
  944   HH11  ARG 122          HH11      ARG 122   5.078 -10.152   1.789
  945   HH12  ARG 122          HH12      ARG 122   6.750  -9.812   1.475
  946   HH21  ARG 122          HH21      ARG 122   6.612 -10.823  -1.932
  947   HH22  ARG 122          HH22      ARG 122   7.633 -10.183  -0.703
  948    H    GLY 123           H        GLY 123   0.923 -11.718  -4.546
  949    HA2  GLY 123           HA2      GLY 123   2.929 -11.896  -6.246
  950    HA3  GLY 123           HA3      GLY 123   3.379 -13.242  -5.186
  951    H    TYR 124           H        TYR 124   1.909 -12.654  -8.024
  952    HA   TYR 124           HA       TYR 124  -0.357 -14.469  -7.882
  953    HB2  TYR 124           HB2      TYR 124  -0.297 -12.549  -9.412
  954    HB3  TYR 124           HB3      TYR 124   1.151 -13.169 -10.181
  955    HD1  TYR 124           HD2      TYR 124  -2.254 -14.611  -9.288
  956    HD2  TYR 124           HD1      TYR 124   0.763 -14.002 -12.320
  957    HE1  TYR 124           HE2      TYR 124  -3.710 -15.704 -10.938
  958    HE2  TYR 124           HE1      TYR 124  -0.675 -15.141 -13.978
  959    HH   TYR 124           HH       TYR 124  -4.013 -16.184 -13.190
  960    H    LYS 125           H        LYS 125   1.075 -16.156  -6.746
  961    HA   LYS 125           HA       LYS 125   3.040 -17.596  -8.350
  962    HB2  LYS 125           HB2      LYS 125   1.557 -18.332  -5.783
  963    HB3  LYS 125           HB3      LYS 125   2.853 -19.280  -6.514
  964    HG2  LYS 125           HG2      LYS 125   4.426 -17.394  -6.237
  965    HG3  LYS 125           HG3      LYS 125   3.144 -16.410  -5.507
  966    HD2  LYS 125           HD2      LYS 125   2.934 -18.005  -3.641
  967    HD3  LYS 125           HD3      LYS 125   4.177 -19.045  -4.376
  968    HE2  LYS 125           HE2      LYS 125   5.810 -17.171  -4.233
  969    HE3  LYS 125           HE3      LYS 125   4.580 -16.154  -3.471
  970    HZ1  LYS 125           HZ1      LYS 125   4.555 -17.639  -1.578
  971    HZ2  LYS 125           HZ2      LYS 125   5.597 -18.683  -2.310
  972    HZ3  LYS 125           HZ3      LYS 125   6.093 -17.194  -1.875
  973    H    PHE 126           H        PHE 126  -0.426 -17.826  -7.578
  974    HA   PHE 126           HA       PHE 126  -1.103 -19.132  -9.981
  975    HB2  PHE 126           HB2      PHE 126  -2.280 -21.070  -8.845
  976    HB3  PHE 126           HB3      PHE 126  -0.546 -21.213  -8.993
  977    HD1  PHE 126           HD1      PHE 126  -3.321 -20.623  -6.584
  978    HD2  PHE 126           HD2      PHE 126   0.902 -21.353  -7.059
  979    HE1  PHE 126           HE1      PHE 126  -3.137 -21.197  -4.172
  980    HE2  PHE 126           HE2      PHE 126   1.094 -21.845  -4.637
  981    HZ   PHE 126           HZ       PHE 126  -0.937 -21.788  -3.188
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   4.601  -6.080  -4.195
    2    H2   MET   1           H2       MET   1   3.001  -6.339  -3.996
    3    H3   MET   1           H3       MET   1   3.585  -4.804  -4.077
    4    HA   MET   1           HA       MET   1   4.845  -5.135  -2.039
    5    HB2  MET   1           HB2      MET   1   2.637  -4.041  -1.937
    6    HB3  MET   1           HB3      MET   1   1.845  -5.609  -1.753
    7    HG2  MET   1           HG2      MET   1   3.085  -5.956   0.388
    8    HG3  MET   1           HG3      MET   1   3.848  -4.374   0.187
    9    HE1  MET   1           HE1      MET   1   1.371  -3.944   3.233
   10    HE2  MET   1           HE2      MET   1   2.230  -5.435   2.795
   11    HE3  MET   1           HE3      MET   1   3.063  -3.864   2.696
   12    H    ALA   2           H        ALA   2   6.228  -7.006  -1.958
   13    HA   ALA   2           HA       ALA   2   5.121  -9.658  -1.632
   14    HB1  ALA   2           HB1      ALA   2   7.449 -10.300  -1.167
   15    HB2  ALA   2           HB2      ALA   2   7.360  -9.260  -2.600
   16    HB3  ALA   2           HB3      ALA   2   7.918  -8.593  -1.045
   17    H    SER   3           H        SER   3   5.816  -7.029   0.600
   18    HA   SER   3           HA       SER   3   6.555  -8.281   2.860
   19    HB2  SER   3           HB2      SER   3   4.647  -5.934   2.887
   20    HB3  SER   3           HB3      SER   3   6.023  -6.260   3.956
   21    HG   SER   3           HG       SER   3   6.549  -4.678   2.399
   22    H    VAL   4           H        VAL   4   3.269  -8.498   1.583
   23    HA   VAL   4           HA       VAL   4   1.921  -8.963   4.060
   24    HB   VAL   4           HB       VAL   4   0.160  -9.977   2.652
   25   HG11  VAL   4          HG11      VAL   4  -0.407  -7.980   1.386
   26   HG12  VAL   4          HG12      VAL   4   0.315  -7.508   2.930
   27   HG13  VAL   4          HG13      VAL   4   1.268  -7.408   1.433
   28   HG21  VAL   4          HG21      VAL   4   1.572 -11.114   0.963
   29   HG22  VAL   4          HG22      VAL   4   0.379 -10.049   0.215
   30   HG23  VAL   4          HG23      VAL   4   2.069  -9.535   0.307
   31    H    GLU   5           H        GLU   5   4.171 -10.947   2.303
   32    HA   GLU   5           HA       GLU   5   3.444 -13.539   3.152
   33    HB2  GLU   5           HB2      GLU   5   5.103 -12.839   1.430
   34    HB3  GLU   5           HB3      GLU   5   6.207 -12.337   2.715
   35    HG2  GLU   5           HG2      GLU   5   6.525 -14.591   3.447
   36    HG3  GLU   5           HG3      GLU   5   5.125 -15.171   2.534
   37    H    ARG   6           H        ARG   6   4.636 -10.855   5.047
   38    HA   ARG   6           HA       ARG   6   5.873 -12.190   7.205
   39    HB2  ARG   6           HB2      ARG   6   5.392 -10.217   8.488
   40    HB3  ARG   6           HB3      ARG   6   5.783  -9.725   6.841
   41    HG2  ARG   6           HG2      ARG   6   3.211  -9.641   6.439
   42    HG3  ARG   6           HG3      ARG   6   3.049  -9.790   8.195
   43    HD2  ARG   6           HD2      ARG   6   4.382  -7.740   8.510
   44    HD3  ARG   6           HD3      ARG   6   4.639  -7.630   6.755
   45    HE   ARG   6           HE       ARG   6   1.833  -7.727   7.486
   46   HH11  ARG   6          HH11      ARG   6   4.599  -5.524   7.184
   47   HH12  ARG   6          HH12      ARG   6   3.638  -4.121   6.900
   48   HH21  ARG   6          HH21      ARG   6   0.544  -5.858   7.109
   49   HH22  ARG   6          HH22      ARG   6   1.278  -4.320   6.869
   50    H    ASP   7           H        ASP   7   2.490 -12.216   6.231
   51    HA   ASP   7           HA       ASP   7   1.553 -13.169   8.820
   52    HB2  ASP   7           HB2      ASP   7   0.157 -11.770   7.304
   53    HB3  ASP   7           HB3      ASP   7   0.057 -13.127   6.181
   54    H    GLU   8           H        GLU   8   3.341 -14.801   8.788
   55    HA   GLU   8           HA       GLU   8   3.296 -17.030   7.051
   56    HB2  GLU   8           HB2      GLU   8   4.682 -18.152   8.694
   57    HB3  GLU   8           HB3      GLU   8   5.219 -16.492   8.427
   58    HG2  GLU   8           HG2      GLU   8   4.094 -15.796  10.547
   59    HG3  GLU   8           HG3      GLU   8   3.580 -17.463  10.814
   60    H    THR   9           H        THR   9   1.210 -16.302   9.834
   61    HA   THR   9           HA       THR   9   0.161 -18.935  10.236
   62    HB   THR   9           HB       THR   9  -1.292 -16.300  10.560
   63    HG1  THR   9           HG1      THR   9   0.647 -17.486  12.258
   64   HG21  THR   9          HG21      THR   9  -2.659 -18.286  10.962
   65   HG22  THR   9          HG22      THR   9  -1.448 -18.923  12.097
   66   HG23  THR   9          HG23      THR   9  -2.347 -17.434  12.482
   67    H    ARG  10           H        ARG  10  -0.893 -16.202   8.078
   68    HA   ARG  10           HA       ARG  10  -3.019 -17.711   6.953
   69    HB2  ARG  10           HB2      ARG  10  -2.886 -15.263   6.789
   70    HB3  ARG  10           HB3      ARG  10  -1.434 -15.378   5.787
   71    HG2  ARG  10           HG2      ARG  10  -3.415 -14.875   4.461
   72    HG3  ARG  10           HG3      ARG  10  -2.718 -16.426   3.984
   73    HD2  ARG  10           HD2      ARG  10  -4.439 -17.622   5.292
   74    HD3  ARG  10           HD3      ARG  10  -5.123 -16.074   5.833
   75    HE   ARG  10           HE       ARG  10  -5.248 -15.790   3.151
   76   HH11  ARG  10          HH11      ARG  10  -6.450 -18.284   5.381
   77   HH12  ARG  10          HH12      ARG  10  -7.727 -18.797   4.350
   78   HH21  ARG  10          HH21      ARG  10  -6.847 -16.525   1.739
   79   HH22  ARG  10          HH22      ARG  10  -7.941 -17.806   2.172
   80    H    GLU  11           H        GLU  11   0.433 -17.377   5.957
   81    HA   GLU  11           HA       GLU  11   0.240 -18.912   3.579
   82    HB2  GLU  11           HB2      GLU  11   2.508 -18.671   5.606
   83    HB3  GLU  11           HB3      GLU  11   2.672 -19.501   4.067
   84    HG2  GLU  11           HG2      GLU  11   1.885 -16.567   4.307
   85    HG3  GLU  11           HG3      GLU  11   3.539 -17.140   4.121
   86    H    HIS  12           H        HIS  12   0.906 -19.994   6.931
   87    HA   HIS  12           HA       HIS  12   0.965 -22.768   6.411
   88    HB2  HIS  12           HB2      HIS  12   1.823 -22.093   8.470
   89    HB3  HIS  12           HB3      HIS  12   0.489 -20.999   8.800
   90    HD1  HIS  12           HD1      HIS  12   0.669 -24.899   8.492
   91    HD2  HIS  12           HD2      HIS  12  -1.028 -21.704  10.643
   92    HE1  HIS  12           HE1      HIS  12  -0.806 -25.955  10.276
   93    H    ARG  13           H        ARG  13  -1.898 -20.662   7.268
   94    HA   ARG  13           HA       ARG  13  -3.609 -22.995   7.409
   95    HB2  ARG  13           HB2      ARG  13  -4.320 -20.032   7.173
   96    HB3  ARG  13           HB3      ARG  13  -5.480 -21.332   7.410
   97    HG2  ARG  13           HG2      ARG  13  -3.427 -20.299   9.374
   98    HG3  ARG  13           HG3      ARG  13  -5.171 -20.396   9.547
   99    HD2  ARG  13           HD2      ARG  13  -3.182 -22.682   9.547
  100    HD3  ARG  13           HD3      ARG  13  -4.055 -22.057  10.949
  101    HE   ARG  13           HE       ARG  13  -6.069 -22.847   9.252
  102   HH11  ARG  13          HH11      ARG  13  -3.185 -24.490  10.548
  103   HH12  ARG  13          HH12      ARG  13  -3.921 -26.055  10.545
  104   HH21  ARG  13          HH21      ARG  13  -7.000 -24.903   9.166
  105   HH22  ARG  13          HH22      ARG  13  -6.144 -26.306   9.743
  106    H    ILE  14           H        ILE  14  -3.029 -20.580   4.781
  107    HA   ILE  14           HA       ILE  14  -5.089 -21.674   3.181
  108    HB   ILE  14           HB       ILE  14  -3.904 -19.426   2.975
  109   HG12  ILE  14          HG12      ILE  14  -4.631 -21.114   0.562
  110   HG13  ILE  14          HG13      ILE  14  -5.680 -20.094   1.532
  111   HG21  ILE  14          HG21      ILE  14  -1.975 -20.908   1.148
  112   HG22  ILE  14          HG22      ILE  14  -2.056 -19.160   1.453
  113   HG23  ILE  14          HG23      ILE  14  -1.581 -20.243   2.747
  114   HD11  ILE  14          HD11      ILE  14  -4.347 -18.079   0.700
  115   HD12  ILE  14          HD12      ILE  14  -3.569 -19.188  -0.462
  116   HD13  ILE  14          HD13      ILE  14  -5.318 -18.960  -0.487
  117    H    GLU  15           H        GLU  15  -1.605 -22.470   3.461
  118    HA   GLU  15           HA       GLU  15  -1.507 -24.464   1.464
  119    HB2  GLU  15           HB2      GLU  15   0.449 -23.398   2.427
  120    HB3  GLU  15           HB3      GLU  15   0.083 -24.046   4.032
  121    HG2  GLU  15           HG2      GLU  15   0.511 -26.313   3.290
  122    HG3  GLU  15           HG3      GLU  15   0.692 -25.781   1.611
  123    H    THR  16           H        THR  16  -2.469 -24.716   4.939
  124    HA   THR  16           HA       THR  16  -2.616 -27.642   4.644
  125    HB   THR  16           HB       THR  16  -2.987 -27.583   7.113
  126    HG1  THR  16           HG1      THR  16  -2.240 -24.862   6.910
  127   HG21  THR  16          HG21      THR  16  -0.676 -27.013   7.674
  128   HG22  THR  16          HG22      THR  16  -0.747 -27.916   6.154
  129   HG23  THR  16          HG23      THR  16  -0.476 -26.163   6.123
  130    H    GLU  17           H        GLU  17  -4.877 -25.092   4.303
  131    HA   GLU  17           HA       GLU  17  -7.112 -26.965   4.914
  132    HB2  GLU  17           HB2      GLU  17  -6.457 -25.036   6.509
  133    HB3  GLU  17           HB3      GLU  17  -7.099 -23.951   5.264
  134    HG2  GLU  17           HG2      GLU  17  -9.274 -25.148   5.397
  135    HG3  GLU  17           HG3      GLU  17  -8.599 -26.188   6.661
  136    H    ILE  18           H        ILE  18  -5.921 -24.511   2.567
  137    HA   ILE  18           HA       ILE  18  -8.555 -24.672   1.189
  138    HB   ILE  18           HB       ILE  18  -6.471 -22.508   1.452
  139   HG12  ILE  18          HG12      ILE  18  -9.466 -22.555   2.068
  140   HG13  ILE  18          HG13      ILE  18  -8.237 -22.936   3.265
  141   HG21  ILE  18          HG21      ILE  18  -7.856 -21.080  -0.017
  142   HG22  ILE  18          HG22      ILE  18  -7.217 -22.444  -0.899
  143   HG23  ILE  18          HG23      ILE  18  -8.908 -22.475  -0.369
  144   HD11  ILE  18          HD11      ILE  18  -7.286 -20.692   3.094
  145   HD12  ILE  18          HD12      ILE  18  -8.536 -20.236   1.908
  146   HD13  ILE  18          HD13      ILE  18  -8.998 -20.670   3.558
  147    H    ILE  19           H        ILE  19  -5.019 -24.963   0.506
  148    HA   ILE  19           HA       ILE  19  -5.876 -26.343  -2.002
  149    HB   ILE  19           HB       ILE  19  -3.916 -25.584  -3.164
  150   HG12  ILE  19          HG12      ILE  19  -2.569 -25.055  -0.992
  151   HG13  ILE  19          HG13      ILE  19  -2.282 -24.176  -2.484
  152   HG21  ILE  19          HG21      ILE  19  -4.647 -23.310  -3.664
  153   HG22  ILE  19          HG22      ILE  19  -6.008 -24.430  -3.510
  154   HG23  ILE  19          HG23      ILE  19  -5.650 -23.286  -2.210
  155   HD11  ILE  19          HD11      ILE  19  -2.361 -22.784  -0.367
  156   HD12  ILE  19          HD12      ILE  19  -3.389 -22.219  -1.701
  157   HD13  ILE  19          HD13      ILE  19  -4.110 -23.084  -0.338
  158    H    VAL  20           H        VAL  20  -5.187 -27.278   0.815
  159    HA   VAL  20           HA       VAL  20  -2.749 -28.631   0.814
  160    HB   VAL  20           HB       VAL  20  -4.352 -28.194   2.657
  161   HG11  VAL  20          HG11      VAL  20  -5.824 -30.706   1.841
  162   HG12  VAL  20          HG12      VAL  20  -6.083 -29.731   3.296
  163   HG13  VAL  20          HG13      VAL  20  -6.450 -29.043   1.713
  164   HG21  VAL  20          HG21      VAL  20  -3.344 -31.059   2.534
  165   HG22  VAL  20          HG22      VAL  20  -2.378 -29.634   2.975
  166   HG23  VAL  20          HG23      VAL  20  -3.728 -30.140   4.005
  167    H    ASP  21           H        ASP  21  -5.833 -29.593  -0.580
  168    HA   ASP  21           HA       ASP  21  -5.043 -32.287  -1.281
  169    HB2  ASP  21           HB2      ASP  21  -7.368 -31.605  -0.811
  170    HB3  ASP  21           HB3      ASP  21  -7.354 -30.547  -2.224
  171    H    ALA  22           H        ALA  22  -4.370 -29.229  -2.776
  172    HA   ALA  22           HA       ALA  22  -4.653 -30.100  -5.540
  173    HB1  ALA  22           HB1      ALA  22  -3.283 -27.641  -4.361
  174    HB2  ALA  22           HB2      ALA  22  -3.670 -27.899  -6.062
  175    HB3  ALA  22           HB3      ALA  22  -4.987 -27.731  -4.880
  176    H    GLU  23           H        GLU  23  -3.082 -30.697  -6.954
  177    HA   GLU  23           HA       GLU  23  -0.216 -30.632  -6.137
  178    HB2  GLU  23           HB2      GLU  23  -1.697 -32.798  -7.689
  179    HB3  GLU  23           HB3      GLU  23   0.050 -32.708  -7.540
  180    HG2  GLU  23           HG2      GLU  23  -1.923 -33.123  -5.255
  181    HG3  GLU  23           HG3      GLU  23  -0.920 -34.355  -6.005
  182    H    ASP  24           H        ASP  24  -2.718 -29.973  -8.546
  183    HA   ASP  24           HA       ASP  24  -0.640 -28.871 -10.396
  184    HB2  ASP  24           HB2      ASP  24  -1.965 -30.744 -11.314
  185    HB3  ASP  24           HB3      ASP  24  -3.459 -29.873 -10.952
  186    H    LYS  25           H        LYS  25  -0.962 -26.786 -11.237
  187    HA   LYS  25           HA       LYS  25  -2.053 -24.909  -9.544
  188    HB2  LYS  25           HB2      LYS  25  -1.505 -23.239 -11.042
  189    HB3  LYS  25           HB3      LYS  25  -0.309 -24.486 -11.303
  190    HG2  LYS  25           HG2      LYS  25  -2.751 -24.016 -13.079
  191    HG3  LYS  25           HG3      LYS  25  -1.167 -23.332 -13.383
  192    HD2  LYS  25           HD2      LYS  25  -0.208 -25.370 -14.020
  193    HD3  LYS  25           HD3      LYS  25  -1.377 -26.320 -13.121
  194    HE2  LYS  25           HE2      LYS  25  -3.084 -25.133 -14.834
  195    HE3  LYS  25           HE3      LYS  25  -1.646 -25.129 -15.855
  196    HZ1  LYS  25           HZ1      LYS  25  -1.581 -27.493 -15.732
  197    HZ2  LYS  25           HZ2      LYS  25  -2.598 -27.554 -14.439
  198    HZ3  LYS  25           HZ3      LYS  25  -3.199 -27.155 -15.894
  199    H    GLU  26           H        GLU  26  -3.890 -26.690 -12.011
  200    HA   GLU  26           HA       GLU  26  -6.102 -24.790 -12.071
  201    HB2  GLU  26           HB2      GLU  26  -5.827 -27.741 -12.770
  202    HB3  GLU  26           HB3      GLU  26  -7.365 -26.881 -12.883
  203    HG2  GLU  26           HG2      GLU  26  -6.544 -25.354 -14.530
  204    HG3  GLU  26           HG3      GLU  26  -4.876 -25.825 -14.250
  205    H    GLU  27           H        GLU  27  -5.257 -27.644 -10.078
  206    HA   GLU  27           HA       GLU  27  -7.731 -27.709  -8.603
  207    HB2  GLU  27           HB2      GLU  27  -4.976 -28.719  -7.813
  208    HB3  GLU  27           HB3      GLU  27  -6.506 -29.185  -7.073
  209    HG2  GLU  27           HG2      GLU  27  -7.242 -30.232  -9.174
  210    HG3  GLU  27           HG3      GLU  27  -5.751 -29.730  -9.983
  211    H    ARG  28           H        ARG  28  -4.565 -26.107  -8.133
  212    HA   ARG  28           HA       ARG  28  -5.093 -24.888  -5.617
  213    HB2  ARG  28           HB2      ARG  28  -2.906 -24.808  -6.401
  214    HB3  ARG  28           HB3      ARG  28  -3.347 -24.239  -7.980
  215    HG2  ARG  28           HG2      ARG  28  -3.384 -22.523  -5.469
  216    HG3  ARG  28           HG3      ARG  28  -2.066 -22.650  -6.616
  217    HD2  ARG  28           HD2      ARG  28  -4.713 -21.265  -7.012
  218    HD3  ARG  28           HD3      ARG  28  -3.080 -20.631  -7.142
  219    HE   ARG  28           HE       ARG  28  -3.859 -22.748  -9.060
  220   HH11  ARG  28          HH21      ARG  28  -3.406 -19.232  -8.687
  221   HH12  ARG  28          HH22      ARG  28  -3.476 -18.970 -10.409
  222   HH21  ARG  28          HH11      ARG  28  -4.124 -22.316 -11.210
  223   HH22  ARG  28          HH12      ARG  28  -3.916 -20.709 -11.843
  224    H    ALA  29           H        ALA  29  -6.099 -23.868  -8.913
  225    HA   ALA  29           HA       ALA  29  -7.154 -21.341  -7.976
  226    HB1  ALA  29           HB1      ALA  29  -6.511 -21.794 -10.354
  227    HB2  ALA  29           HB2      ALA  29  -7.901 -22.895 -10.490
  228    HB3  ALA  29           HB3      ALA  29  -8.153 -21.167 -10.164
  229    H    MET  30           H        MET  30  -8.520 -24.630  -8.521
  230    HA   MET  30           HA       MET  30 -11.199 -23.905  -7.833
  231    HB2  MET  30           HB2      MET  30  -9.803 -26.589  -7.663
  232    HB3  MET  30           HB3      MET  30 -11.540 -26.322  -7.494
  233    HG2  MET  30           HG2      MET  30  -9.906 -25.679  -9.977
  234    HG3  MET  30           HG3      MET  30 -10.911 -27.092  -9.733
  235    HE1  MET  30           HE1      MET  30 -12.191 -22.984 -11.215
  236    HE2  MET  30           HE2      MET  30 -11.800 -22.888  -9.502
  237    HE3  MET  30           HE3      MET  30 -10.578 -23.466 -10.654
  238    H    GLY  31           H        GLY  31  -8.469 -25.019  -5.752
  239    HA2  GLY  31           HA2      GLY  31  -9.914 -25.205  -3.341
  240    HA3  GLY  31           HA3      GLY  31  -8.207 -24.759  -3.490
  241    H    TRP  32           H        TRP  32  -8.136 -22.341  -4.657
  242    HA   TRP  32           HA       TRP  32  -8.993 -20.437  -2.780
  243    HB2  TRP  32           HB2      TRP  32  -8.105 -20.318  -5.660
  244    HB3  TRP  32           HB3      TRP  32  -8.788 -18.892  -4.912
  245    HD1  TRP  32           HD1      TRP  32  -5.655 -21.057  -4.763
  246    HE1  TRP  32           HE1      TRP  32  -3.793 -19.731  -3.628
  247    HE3  TRP  32           HE3      TRP  32  -8.445 -17.141  -3.016
  248    HZ2  TRP  32           HZ2      TRP  32  -3.541 -17.226  -2.152
  249    HZ3  TRP  32           HZ3      TRP  32  -7.389 -15.360  -1.660
  250    HH2  TRP  32           HH2      TRP  32  -4.952 -15.384  -1.231
  251    H    TYR  33           H        TYR  33 -10.550 -21.372  -5.912
  252    HA   TYR  33           HA       TYR  33 -12.712 -19.601  -5.783
  253    HB2  TYR  33           HB2      TYR  33 -12.163 -20.847  -7.792
  254    HB3  TYR  33           HB3      TYR  33 -12.479 -22.376  -6.990
  255    HD1  TYR  33           HD2      TYR  33 -14.807 -23.058  -6.360
  256    HD2  TYR  33           HD1      TYR  33 -13.983 -19.581  -8.764
  257    HE1  TYR  33           HE2      TYR  33 -17.183 -22.959  -7.006
  258    HE2  TYR  33           HE1      TYR  33 -16.306 -19.595  -9.587
  259    HH   TYR  33           HH       TYR  33 -18.777 -21.913  -8.365
  260    H    TYR  34           H        TYR  34 -12.471 -22.941  -4.370
  261    HA   TYR  34           HA       TYR  34 -15.239 -23.095  -3.769
  262    HB2  TYR  34           HB2      TYR  34 -12.870 -24.523  -2.493
  263    HB3  TYR  34           HB3      TYR  34 -14.550 -24.915  -2.171
  264    HD1  TYR  34           HD2      TYR  34 -15.791 -24.887  -4.902
  265    HD2  TYR  34           HD1      TYR  34 -12.031 -26.478  -3.494
  266    HE1  TYR  34           HE2      TYR  34 -15.795 -26.514  -6.751
  267    HE2  TYR  34           HE1      TYR  34 -12.045 -28.136  -5.329
  268    HH   TYR  34           HH       TYR  34 -14.675 -28.284  -7.778
  269    H    TYR  35           H        TYR  35 -12.437 -22.188  -1.609
  270    HA   TYR  35           HA       TYR  35 -14.274 -21.771   0.572
  271    HB2  TYR  35           HB2      TYR  35 -12.520 -21.361   1.885
  272    HB3  TYR  35           HB3      TYR  35 -11.627 -22.132   0.590
  273    HD1  TYR  35           HD1      TYR  35 -10.299 -20.722  -0.992
  274    HD2  TYR  35           HD2      TYR  35 -12.335 -18.986   2.380
  275    HE1  TYR  35           HE1      TYR  35  -9.006 -18.640  -1.300
  276    HE2  TYR  35           HE2      TYR  35 -11.084 -16.877   2.067
  277    HH   TYR  35           HH       TYR  35  -9.529 -15.730   0.765
  278    H    LEU  36           H        LEU  36 -12.906 -19.593  -1.956
  279    HA   LEU  36           HA       LEU  36 -13.825 -17.194  -0.771
  280    HB2  LEU  36           HB2      LEU  36 -12.167 -17.241  -2.575
  281    HB3  LEU  36           HB3      LEU  36 -13.366 -17.896  -3.697
  282    HG   LEU  36           HG       LEU  36 -14.690 -15.811  -3.535
  283   HD11  LEU  36          HD11      LEU  36 -12.415 -14.802  -1.762
  284   HD12  LEU  36          HD12      LEU  36 -13.693 -13.789  -2.466
  285   HD13  LEU  36          HD13      LEU  36 -14.115 -15.020  -1.277
  286   HD21  LEU  36          HD21      LEU  36 -13.149 -14.382  -4.778
  287   HD22  LEU  36          HD22      LEU  36 -11.757 -15.325  -4.193
  288   HD23  LEU  36          HD23      LEU  36 -12.965 -16.067  -5.266
  289    H    ASP  37           H        ASP  37 -15.385 -19.311  -3.263
  290    HA   ASP  37           HA       ASP  37 -17.755 -17.794  -3.571
  291    HB2  ASP  37           HB2      ASP  37 -17.089 -19.608  -5.099
  292    HB3  ASP  37           HB3      ASP  37 -17.299 -20.795  -3.812
  293    H    ASP  38           H        ASP  38 -16.961 -20.470  -1.309
  294    HA   ASP  38           HA       ASP  38 -19.487 -20.557   0.003
  295    HB2  ASP  38           HB2      ASP  38 -17.813 -22.341   0.146
  296    HB3  ASP  38           HB3      ASP  38 -16.713 -21.272   1.020
  297    H    THR  39           H        THR  39 -16.852 -18.237   0.348
  298    HA   THR  39           HA       THR  39 -17.774 -17.384   3.026
  299    HB   THR  39           HB       THR  39 -15.401 -16.510   1.328
  300    HG1  THR  39           HG1      THR  39 -15.114 -18.552   1.975
  301   HG21  THR  39          HG21      THR  39 -15.867 -14.712   2.840
  302   HG22  THR  39          HG22      THR  39 -16.241 -15.817   4.171
  303   HG23  THR  39          HG23      THR  39 -14.568 -15.649   3.592
  304    H    LEU  40           H        LEU  40 -17.648 -16.188  -0.353
  305    HA   LEU  40           HA       LEU  40 -18.276 -13.473   0.186
  306    HB2  LEU  40           HB2      LEU  40 -18.842 -15.262  -2.212
  307    HB3  LEU  40           HB3      LEU  40 -19.261 -13.554  -2.193
  308    HG   LEU  40           HG       LEU  40 -16.420 -14.596  -1.894
  309   HD11  LEU  40          HD11      LEU  40 -16.131 -13.859  -4.233
  310   HD12  LEU  40          HD12      LEU  40 -17.350 -15.130  -4.106
  311   HD13  LEU  40          HD13      LEU  40 -17.854 -13.440  -4.321
  312   HD21  LEU  40          HD21      LEU  40 -15.813 -12.248  -2.516
  313   HD22  LEU  40          HD22      LEU  40 -17.499 -11.790  -2.201
  314   HD23  LEU  40          HD23      LEU  40 -16.470 -12.463  -0.901
  315    H    GLU  41           H        GLU  41 -19.986 -12.609   1.071
  316    HA   GLU  41           HA       GLU  41 -22.548 -13.892   1.323
  317    HB2  GLU  41           HB2      GLU  41 -21.397 -12.439   3.015
  318    HB3  GLU  41           HB3      GLU  41 -21.554 -11.065   1.920
  319    HG2  GLU  41           HG2      GLU  41 -23.214 -10.926   3.601
  320    HG3  GLU  41           HG3      GLU  41 -24.029 -11.284   2.085
  321    H    PHE  42           H        PHE  42 -22.124 -14.031  -1.268
  322    HA   PHE  42           HA       PHE  42 -22.879 -11.693  -2.776
  323    HB2  PHE  42           HB2      PHE  42 -22.751 -13.062  -4.725
  324    HB3  PHE  42           HB3      PHE  42 -21.404 -13.454  -3.689
  325    HD1  PHE  42           HD2      PHE  42 -24.691 -14.640  -4.989
  326    HD2  PHE  42           HD1      PHE  42 -21.114 -15.722  -2.829
  327    HE1  PHE  42           HE2      PHE  42 -25.306 -17.035  -5.161
  328    HE2  PHE  42           HE1      PHE  42 -21.735 -18.109  -3.003
  329    HZ   PHE  42           HZ       PHE  42 -23.833 -18.777  -4.164
  330    HA   PRO  43           HA       PRO  43 -24.042 -11.261  -4.853
  331    HB2  PRO  43           HB2      PRO  43 -26.037  -9.513  -5.455
  332    HB3  PRO  43           HB3      PRO  43 -25.987 -11.181  -6.104
  333    HG2  PRO  43           HG2      PRO  43 -27.560 -10.170  -3.719
  334    HG3  PRO  43           HG3      PRO  43 -28.136 -11.187  -5.078
  335    HD2  PRO  43           HD2      PRO  43 -27.357 -12.252  -2.678
  336    HD3  PRO  43           HD3      PRO  43 -27.061 -13.102  -4.222
  337    H    PHE  44           H        PHE  44 -23.180  -9.124  -4.715
  338    HA   PHE  44           HA       PHE  44 -23.775  -7.487  -2.341
  339    HB2  PHE  44           HB2      PHE  44 -21.511  -7.351  -1.616
  340    HB3  PHE  44           HB3      PHE  44 -22.021  -9.018  -1.561
  341    HD1  PHE  44           HD1      PHE  44 -21.125 -10.671  -3.294
  342    HD2  PHE  44           HD2      PHE  44 -19.570  -6.682  -2.874
  343    HE1  PHE  44           HE1      PHE  44 -19.037 -11.367  -4.419
  344    HE2  PHE  44           HE2      PHE  44 -17.483  -7.374  -4.005
  345    HZ   PHE  44           HZ       PHE  44 -17.196  -9.728  -4.758
  346    H    MET  45           H        MET  45 -21.830  -5.507  -2.722
  347    HA   MET  45           HA       MET  45 -22.058  -4.839  -5.601
  348    HB2  MET  45           HB2      MET  45 -22.964  -2.753  -5.294
  349    HB3  MET  45           HB3      MET  45 -23.952  -3.781  -4.285
  350    HG2  MET  45           HG2      MET  45 -23.230  -2.800  -2.329
  351    HG3  MET  45           HG3      MET  45 -21.631  -2.424  -2.943
  352    HE1  MET  45           HE1      MET  45 -22.165  -0.709  -5.696
  353    HE2  MET  45           HE2      MET  45 -22.015   0.874  -4.911
  354    HE3  MET  45           HE3      MET  45 -20.944  -0.454  -4.440
  355    H    GLY  46           H        GLY  46 -20.750  -2.944  -6.216
  356    HA2  GLY  46           HA2      GLY  46 -18.426  -2.322  -4.553
  357    HA3  GLY  46           HA3      GLY  46 -18.079  -3.487  -5.845
  358    H    LYS  47           H        LYS  47 -16.669  -1.478  -6.055
  359    HA   LYS  47           HA       LYS  47 -17.831   0.081  -8.323
  360    HB2  LYS  47           HB2      LYS  47 -17.011   1.371  -6.194
  361    HB3  LYS  47           HB3      LYS  47 -15.395   0.888  -6.681
  362    HG2  LYS  47           HG2      LYS  47 -15.623   3.011  -7.645
  363    HG3  LYS  47           HG3      LYS  47 -15.998   1.935  -8.994
  364    HD2  LYS  47           HD2      LYS  47 -17.670   3.615  -9.066
  365    HD3  LYS  47           HD3      LYS  47 -18.468   2.212  -8.364
  366    HE2  LYS  47           HE2      LYS  47 -18.325   3.144  -6.134
  367    HE3  LYS  47           HE3      LYS  47 -17.277   4.457  -6.690
  368    HZ1  LYS  47           HZ1      LYS  47 -19.642   5.098  -6.411
  369    HZ2  LYS  47           HZ2      LYS  47 -19.089   5.381  -7.916
  370    HZ3  LYS  47           HZ3      LYS  47 -20.065   4.104  -7.649
  371    H    TRP  48           H        TRP  48 -17.069  -0.695 -10.221
  372    HA   TRP  48           HA       TRP  48 -14.622  -2.353 -10.318
  373    HB2  TRP  48           HB2      TRP  48 -16.645  -2.852 -11.726
  374    HB3  TRP  48           HB3      TRP  48 -16.378  -1.349 -12.587
  375    HD1  TRP  48           HD1      TRP  48 -12.990  -2.332 -12.365
  376    HE1  TRP  48           HE1      TRP  48 -12.164  -3.792 -14.225
  377    HE3  TRP  48           HE3      TRP  48 -17.521  -3.834 -14.268
  378    HZ2  TRP  48           HZ2      TRP  48 -13.269  -5.528 -16.245
  379    HZ3  TRP  48           HZ3      TRP  48 -17.560  -5.448 -16.158
  380    HH2  TRP  48           HH2      TRP  48 -15.452  -6.294 -17.146
  381    H    LYS  49           H        LYS  49 -12.817  -1.225 -10.014
  382    HA   LYS  49           HA       LYS  49 -12.526   1.602 -10.648
  383    HB2  LYS  49           HB2      LYS  49 -10.432  -0.403  -9.690
  384    HB3  LYS  49           HB3      LYS  49 -10.386   1.346  -9.503
  385    HG2  LYS  49           HG2      LYS  49 -12.331  -0.561  -8.113
  386    HG3  LYS  49           HG3      LYS  49 -10.859   0.051  -7.411
  387    HD2  LYS  49           HD2      LYS  49 -13.095   1.925  -8.307
  388    HD3  LYS  49           HD3      LYS  49 -13.037   1.150  -6.721
  389    HE2  LYS  49           HE2      LYS  49 -10.622   2.078  -6.543
  390    HE3  LYS  49           HE3      LYS  49 -11.082   3.164  -7.866
  391    HZ1  LYS  49           HZ1      LYS  49 -12.533   2.922  -5.283
  392    HZ2  LYS  49           HZ2      LYS  49 -11.429   4.088  -5.618
  393    HZ3  LYS  49           HZ3      LYS  49 -12.816   4.057  -6.477
  394    H    LYS  50           H        LYS  50 -13.107   0.669 -13.013
  395    HA   LYS  50           HA       LYS  50 -11.275  -1.058 -14.371
  396    HB2  LYS  50           HB2      LYS  50 -13.632  -0.799 -14.982
  397    HB3  LYS  50           HB3      LYS  50 -13.372   0.887 -15.441
  398    HG2  LYS  50           HG2      LYS  50 -11.943   0.265 -17.282
  399    HG3  LYS  50           HG3      LYS  50 -11.887  -1.426 -16.766
  400    HD2  LYS  50           HD2      LYS  50 -14.398   0.031 -17.717
  401    HD3  LYS  50           HD3      LYS  50 -13.364  -0.989 -18.732
  402    HE2  LYS  50           HE2      LYS  50 -13.777  -2.912 -17.171
  403    HE3  LYS  50           HE3      LYS  50 -14.909  -1.906 -16.263
  404    HZ1  LYS  50           HZ1      LYS  50 -16.060  -3.291 -17.847
  405    HZ2  LYS  50           HZ2      LYS  50 -16.251  -1.731 -18.296
  406    HZ3  LYS  50           HZ3      LYS  50 -15.208  -2.696 -19.104
  407    H    LYS  51           H        LYS  51  -9.238  -0.622 -15.087
  408    HA   LYS  51           HA       LYS  51  -8.314   2.138 -15.496
  409    HB2  LYS  51           HB2      LYS  51  -7.096  -0.592 -16.115
  410    HB3  LYS  51           HB3      LYS  51  -6.319   0.942 -16.538
  411    HG2  LYS  51           HG2      LYS  51  -6.289   1.634 -14.172
  412    HG3  LYS  51           HG3      LYS  51  -7.106   0.128 -13.706
  413    HD2  LYS  51           HD2      LYS  51  -5.191  -1.192 -14.544
  414    HD3  LYS  51           HD3      LYS  51  -4.360   0.306 -15.020
  415    HE2  LYS  51           HE2      LYS  51  -4.394   1.078 -12.660
  416    HE3  LYS  51           HE3      LYS  51  -5.233  -0.403 -12.181
  417    HZ1  LYS  51           HZ1      LYS  51  -2.864  -0.559 -11.768
  418    HZ2  LYS  51           HZ2      LYS  51  -3.281  -1.661 -12.890
  419    HZ3  LYS  51           HZ3      LYS  51  -2.503  -0.292 -13.332
  420    H    SER  52           H        SER  52  -8.285   3.222 -17.466
  421    HA   SER  52           HA       SER  52  -9.283   1.870 -19.909
  422    HB2  SER  52           HB2      SER  52 -11.172   2.718 -18.427
  423    HB3  SER  52           HB3      SER  52 -10.488   4.341 -18.584
  424    HG   SER  52           HG       SER  52 -11.637   2.677 -20.582
  425    H    ARG  53           H        ARG  53  -9.171   3.398 -21.761
  426    HA   ARG  53           HA       ARG  53  -7.951   4.571 -23.244
  427    HB2  ARG  53           HB2      ARG  53  -7.255   6.386 -20.894
  428    HB3  ARG  53           HB3      ARG  53  -6.861   6.718 -22.562
  429    HG2  ARG  53           HG2      ARG  53  -8.727   8.023 -21.945
  430    HG3  ARG  53           HG3      ARG  53  -9.252   6.847 -23.154
  431    HD2  ARG  53           HD2      ARG  53 -10.472   5.591 -21.575
  432    HD3  ARG  53           HD3      ARG  53  -9.592   6.283 -20.196
  433    HE   ARG  53           HE       ARG  53 -10.853   8.455 -21.294
  434   HH11  ARG  53          HH11      ARG  53 -12.041   5.256 -20.204
  435   HH12  ARG  53          HH12      ARG  53 -13.381   5.976 -19.324
  436   HH21  ARG  53          HH21      ARG  53 -12.759   9.278 -20.145
  437   HH22  ARG  53          HH22      ARG  53 -13.755   8.130 -19.283
  438    H    LYS  54           H        LYS  54  -5.642   5.338 -23.831
  439    HA   LYS  54           HA       LYS  54  -3.773   3.231 -23.278
  440    HB2  LYS  54           HB2      LYS  54  -3.264   6.038 -24.372
  441    HB3  LYS  54           HB3      LYS  54  -2.135   4.697 -24.448
  442    HG2  LYS  54           HG2      LYS  54  -4.822   4.900 -25.872
  443    HG3  LYS  54           HG3      LYS  54  -3.230   5.026 -26.601
  444    HD2  LYS  54           HD2      LYS  54  -4.432   2.516 -25.353
  445    HD3  LYS  54           HD3      LYS  54  -4.258   2.863 -27.074
  446    HE2  LYS  54           HE2      LYS  54  -1.781   2.956 -26.810
  447    HE3  LYS  54           HE3      LYS  54  -1.952   2.556 -25.097
  448    HZ1  LYS  54           HZ1      LYS  54  -2.944   0.439 -25.761
  449    HZ2  LYS  54           HZ2      LYS  54  -2.779   0.812 -27.345
  450    HZ3  LYS  54           HZ3      LYS  54  -1.461   0.600 -26.414
  451    H    THR  55           H        THR  55  -4.456   6.287 -21.626
  452    HA   THR  55           HA       THR  55  -2.042   6.393 -20.089
  453    HB   THR  55           HB       THR  55  -3.632   8.032 -18.778
  454    HG1  THR  55           HG1      THR  55  -5.602   7.798 -19.397
  455   HG21  THR  55          HG21      THR  55  -3.042   8.490 -21.743
  456   HG22  THR  55          HG22      THR  55  -3.394   9.745 -20.533
  457   HG23  THR  55          HG23      THR  55  -1.916   8.780 -20.399
  458    H    SER  56           H        SER  56  -4.673   4.190 -19.890
  459    HA   SER  56           HA       SER  56  -5.526   2.874 -18.323
  460    HB2  SER  56           HB2      SER  56  -2.847   3.152 -16.917
  461    HB3  SER  56           HB3      SER  56  -4.023   1.846 -16.723
  462    HG   SER  56           HG       SER  56  -2.317   1.319 -18.183
  463    H    THR  57           H        THR  57  -6.182   5.626 -18.084
  464    HA   THR  57           HA       THR  57  -6.169   6.659 -15.439
  465    HB   THR  57           HB       THR  57  -8.318   6.991 -17.561
  466    HG1  THR  57           HG1      THR  57  -7.000   8.713 -18.326
  467   HG21  THR  57          HG21      THR  57  -8.775   8.082 -15.387
  468   HG22  THR  57          HG22      THR  57  -7.201   8.904 -15.457
  469   HG23  THR  57          HG23      THR  57  -8.472   9.287 -16.642
  470    H    ILE  58           H        ILE  58  -7.413   6.052 -13.661
  471    HA   ILE  58           HA       ILE  58  -9.098   3.708 -13.806
  472    HB   ILE  58           HB       ILE  58  -8.569   5.792 -11.670
  473   HG12  ILE  58          HG12      ILE  58  -6.685   4.207 -12.323
  474   HG13  ILE  58          HG13      ILE  58  -7.138   4.227 -10.625
  475   HG21  ILE  58          HG21      ILE  58 -10.290   3.295 -11.429
  476   HG22  ILE  58          HG22      ILE  58  -9.631   4.198 -10.042
  477   HG23  ILE  58          HG23      ILE  58 -10.764   4.979 -11.145
  478   HD11  ILE  58          HD11      ILE  58  -8.276   2.093 -10.828
  479   HD12  ILE  58          HD12      ILE  58  -8.079   2.110 -12.597
  480   HD13  ILE  58          HD13      ILE  58  -6.663   1.955 -11.536
  481    H    GLU  59           H        GLU  59 -11.210   3.559 -14.043
  482    HA   GLU  59           HA       GLU  59 -12.998   5.936 -14.005
  483    HB2  GLU  59           HB2      GLU  59 -13.038   3.426 -15.750
  484    HB3  GLU  59           HB3      GLU  59 -14.453   4.440 -15.526
  485    HG2  GLU  59           HG2      GLU  59 -11.853   5.626 -16.571
  486    HG3  GLU  59           HG3      GLU  59 -12.974   4.761 -17.613
  487    H    GLU  60           H        GLU  60 -15.044   5.394 -12.959
  488    HA   GLU  60           HA       GLU  60 -14.804   3.079 -11.080
  489    HB2  GLU  60           HB2      GLU  60 -15.481   5.995 -10.494
  490    HB3  GLU  60           HB3      GLU  60 -15.663   4.665  -9.352
  491    HG2  GLU  60           HG2      GLU  60 -13.191   4.168  -9.647
  492    HG3  GLU  60           HG3      GLU  60 -13.065   5.664 -10.581
  493    H    LYS  61           H        LYS  61 -16.283   1.794 -12.072
  494    HA   LYS  61           HA       LYS  61 -18.978   2.906 -12.742
  495    HB2  LYS  61           HB2      LYS  61 -17.825   1.685 -14.515
  496    HB3  LYS  61           HB3      LYS  61 -17.568   0.300 -13.447
  497    HG2  LYS  61           HG2      LYS  61 -19.974  -0.110 -13.314
  498    HG3  LYS  61           HG3      LYS  61 -20.313   1.317 -14.285
  499    HD2  LYS  61           HD2      LYS  61 -18.549  -0.963 -15.295
  500    HD3  LYS  61           HD3      LYS  61 -20.291  -1.055 -15.421
  501    HE2  LYS  61           HE2      LYS  61 -18.550   1.126 -16.655
  502    HE3  LYS  61           HE3      LYS  61 -19.241  -0.258 -17.509
  503    HZ1  LYS  61           HZ1      LYS  61 -20.593   1.711 -17.821
  504    HZ2  LYS  61           HZ2      LYS  61 -21.466   0.597 -16.988
  505    HZ3  LYS  61           HZ3      LYS  61 -20.828   1.875 -16.209
  506    H    THR  62           H        THR  62 -20.512   2.689 -11.114
  507    HA   THR  62           HA       THR  62 -20.106   0.923  -8.879
  508    HB   THR  62           HB       THR  62 -22.711   2.222  -9.768
  509    HG1  THR  62           HG1      THR  62 -21.974   4.095  -9.096
  510   HG21  THR  62          HG21      THR  62 -22.809   0.711  -7.781
  511   HG22  THR  62          HG22      THR  62 -21.510   1.651  -7.015
  512   HG23  THR  62          HG23      THR  62 -23.094   2.399  -7.329
  513    H    VAL  63           H        VAL  63 -20.772  -1.148  -8.593
  514    HA   VAL  63           HA       VAL  63 -22.479  -2.416 -10.691
  515    HB   VAL  63           HB       VAL  63 -20.878  -4.260 -10.730
  516   HG11  VAL  63          HG11      VAL  63 -19.366  -3.362 -12.375
  517   HG12  VAL  63          HG12      VAL  63 -20.936  -2.565 -12.549
  518   HG13  VAL  63          HG13      VAL  63 -19.590  -1.719 -11.755
  519   HG21  VAL  63          HG21      VAL  63 -18.533  -4.015 -10.105
  520   HG22  VAL  63          HG22      VAL  63 -18.843  -2.391  -9.462
  521   HG23  VAL  63          HG23      VAL  63 -19.555  -3.819  -8.677
  522    H    GLU  64           H        GLU  64 -23.370  -4.432 -10.143
  523    HA   GLU  64           HA       GLU  64 -23.439  -5.097  -7.230
  524    HB2  GLU  64           HB2      GLU  64 -25.630  -4.465  -8.226
  525    HB3  GLU  64           HB3      GLU  64 -25.478  -5.791  -9.384
  526    HG2  GLU  64           HG2      GLU  64 -25.430  -7.411  -7.496
  527    HG3  GLU  64           HG3      GLU  64 -25.483  -6.074  -6.346
  528    H    VAL  65           H        VAL  65 -22.206  -6.865  -6.804
  529    HA   VAL  65           HA       VAL  65 -21.122  -8.452  -9.054
  530    HB   VAL  65           HB       VAL  65 -20.315  -8.482  -6.115
  531   HG11  VAL  65          HG11      VAL  65 -18.228  -9.490  -7.085
  532   HG12  VAL  65          HG12      VAL  65 -19.656 -10.478  -7.421
  533   HG13  VAL  65          HG13      VAL  65 -18.979  -9.436  -8.692
  534   HG21  VAL  65          HG21      VAL  65 -18.351  -7.103  -6.840
  535   HG22  VAL  65          HG22      VAL  65 -19.136  -6.858  -8.417
  536   HG23  VAL  65          HG23      VAL  65 -19.869  -6.215  -6.930
  537    H    LEU  66           H        LEU  66 -22.314 -10.179  -9.568
  538    HA   LEU  66           HA       LEU  66 -24.581 -10.887  -7.912
  539    HB2  LEU  66           HB2      LEU  66 -23.598 -12.178 -10.481
  540    HB3  LEU  66           HB3      LEU  66 -25.190 -12.357  -9.754
  541    HG   LEU  66           HG       LEU  66 -24.025  -9.836 -11.013
  542   HD11  LEU  66          HD11      LEU  66 -24.787 -11.595 -12.570
  543   HD12  LEU  66          HD12      LEU  66 -26.386 -11.593 -11.800
  544   HD13  LEU  66          HD13      LEU  66 -25.809 -10.148 -12.659
  545   HD21  LEU  66          HD21      LEU  66 -26.722 -10.211  -9.635
  546   HD22  LEU  66          HD22      LEU  66 -25.409  -9.120  -9.134
  547   HD23  LEU  66          HD23      LEU  66 -26.268  -8.816 -10.640
  548    H    GLY  67           H        GLY  67 -21.403 -12.366  -8.579
  549    HA2  GLY  67           HA2      GLY  67 -21.160 -14.055  -6.462
  550    HA3  GLY  67           HA3      GLY  67 -22.123 -14.987  -7.632
  551    H    MET  68           H        MET  68 -19.883 -16.156  -7.330
  552    HA   MET  68           HA       MET  68 -17.634 -15.219  -8.897
  553    HB2  MET  68           HB2      MET  68 -18.458 -18.022  -8.022
  554    HB3  MET  68           HB3      MET  68 -16.952 -17.625  -8.843
  555    HG2  MET  68           HG2      MET  68 -17.802 -16.563  -6.129
  556    HG3  MET  68           HG3      MET  68 -16.647 -17.857  -6.416
  557    HE1  MET  68           HE1      MET  68 -14.235 -17.582  -7.352
  558    HE2  MET  68           HE2      MET  68 -14.857 -16.831  -8.844
  559    HE3  MET  68           HE3      MET  68 -13.559 -16.048  -7.935
  560    H    ALA  69           H        ALA  69 -16.983 -15.872 -10.950
  561    HA   ALA  69           HA       ALA  69 -19.028 -16.351 -12.967
  562    HB1  ALA  69           HB1      ALA  69 -16.959 -14.951 -13.269
  563    HB2  ALA  69           HB2      ALA  69 -15.993 -16.443 -13.126
  564    HB3  ALA  69           HB3      ALA  69 -17.104 -16.217 -14.484
  565    HA   PRO  70           HA       PRO  70 -18.823 -20.833 -13.389
  566    HB2  PRO  70           HB2      PRO  70 -17.441 -20.416 -16.043
  567    HB3  PRO  70           HB3      PRO  70 -18.764 -21.552 -15.628
  568    HG2  PRO  70           HG2      PRO  70 -19.344 -19.235 -16.893
  569    HG3  PRO  70           HG3      PRO  70 -20.360 -19.763 -15.510
  570    HD2  PRO  70           HD2      PRO  70 -18.124 -17.740 -15.546
  571    HD3  PRO  70           HD3      PRO  70 -19.724 -17.623 -14.750
  572    H    ASP  71           H        ASP  71 -17.418 -22.549 -13.021
  573    HA   ASP  71           HA       ASP  71 -14.937 -21.957 -11.857
  574    HB2  ASP  71           HB2      ASP  71 -14.687 -24.232 -11.471
  575    HB3  ASP  71           HB3      ASP  71 -16.425 -23.991 -11.456
  576    H    ASP  72           H        ASP  72 -15.728 -22.736 -15.206
  577    HA   ASP  72           HA       ASP  72 -13.063 -23.433 -16.066
  578    HB2  ASP  72           HB2      ASP  72 -15.069 -24.048 -17.341
  579    HB3  ASP  72           HB3      ASP  72 -15.441 -22.343 -17.621
  580    H    GLU  73           H        GLU  73 -14.792 -20.347 -15.691
  581    HA   GLU  73           HA       GLU  73 -12.729 -18.722 -16.975
  582    HB2  GLU  73           HB2      GLU  73 -14.834 -17.929 -14.909
  583    HB3  GLU  73           HB3      GLU  73 -13.826 -16.839 -15.836
  584    HG2  GLU  73           HG2      GLU  73 -15.999 -18.669 -16.918
  585    HG3  GLU  73           HG3      GLU  73 -16.073 -16.920 -16.757
  586    H    CYS  74           H        CYS  74 -13.670 -19.748 -13.685
  587    HA   CYS  74           HA       CYS  74 -11.599 -18.286 -12.434
  588    HB2  CYS  74           HB2      CYS  74 -13.395 -20.442 -11.282
  589    HB3  CYS  74           HB3      CYS  74 -12.418 -19.277 -10.369
  590    HG   CYS  74           HG       CYS  74 -14.986 -18.808 -12.393
  591    H    LEU  75           H        LEU  75 -10.770 -20.645 -14.294
  592    HA   LEU  75           HA       LEU  75  -9.101 -22.306 -12.543
  593    HB2  LEU  75           HB2      LEU  75  -9.139 -21.875 -15.562
  594    HB3  LEU  75           HB3      LEU  75  -8.021 -22.962 -14.755
  595    HG   LEU  75           HG       LEU  75 -11.040 -23.270 -14.747
  596   HD11  LEU  75          HD11      LEU  75 -10.037 -23.682 -16.947
  597   HD12  LEU  75          HD12      LEU  75  -8.877 -24.819 -16.223
  598   HD13  LEU  75          HD13      LEU  75 -10.616 -25.187 -16.222
  599   HD21  LEU  75          HD21      LEU  75 -10.105 -24.250 -12.701
  600   HD22  LEU  75          HD22      LEU  75 -10.559 -25.537 -13.808
  601   HD23  LEU  75          HD23      LEU  75  -8.848 -25.085 -13.634
  602    H    LYS  76           H        LYS  76  -8.861 -19.076 -13.668
  603    HA   LYS  76           HA       LYS  76  -5.904 -19.079 -13.267
  604    HB2  LYS  76           HB2      LYS  76  -5.583 -17.896 -15.339
  605    HB3  LYS  76           HB3      LYS  76  -6.434 -19.407 -15.635
  606    HG2  LYS  76           HG2      LYS  76  -8.603 -17.797 -15.476
  607    HG3  LYS  76           HG3      LYS  76  -7.410 -16.558 -15.844
  608    HD2  LYS  76           HD2      LYS  76  -8.270 -17.206 -17.958
  609    HD3  LYS  76           HD3      LYS  76  -6.709 -18.010 -17.844
  610    HE2  LYS  76           HE2      LYS  76  -8.178 -19.659 -18.705
  611    HE3  LYS  76           HE3      LYS  76  -7.961 -20.093 -17.011
  612    HZ1  LYS  76           HZ1      LYS  76 -10.128 -18.928 -16.588
  613    HZ2  LYS  76           HZ2      LYS  76 -10.294 -18.713 -18.208
  614    HZ3  LYS  76           HZ3      LYS  76 -10.295 -20.219 -17.576
  615    H    ASP  77           H        ASP  77  -8.926 -17.346 -12.869
  616    HA   ASP  77           HA       ASP  77  -7.543 -15.354 -11.214
  617    HB2  ASP  77           HB2      ASP  77  -7.519 -14.415 -13.582
  618    HB3  ASP  77           HB3      ASP  77  -9.272 -14.502 -13.574
  619    H    MET  78           H        MET  78  -9.198 -14.331  -9.763
  620    HA   MET  78           HA       MET  78 -11.597 -16.013  -9.442
  621    HB2  MET  78           HB2      MET  78 -10.498 -13.672  -7.845
  622    HB3  MET  78           HB3      MET  78 -12.003 -14.505  -7.471
  623    HG2  MET  78           HG2      MET  78  -9.243 -15.777  -7.523
  624    HG3  MET  78           HG3      MET  78 -10.137 -15.283  -6.098
  625    HE1  MET  78           HE1      MET  78  -8.969 -18.184  -8.013
  626    HE2  MET  78           HE2      MET  78 -10.332 -19.298  -8.231
  627    HE3  MET  78           HE3      MET  78 -10.220 -17.834  -9.228
  628    H    TYR  79           H        TYR  79 -12.531 -15.537 -11.496
  629    HA   TYR  79           HA       TYR  79 -13.350 -12.815 -12.142
  630    HB2  TYR  79           HB2      TYR  79 -13.933 -15.569 -13.286
  631    HB3  TYR  79           HB3      TYR  79 -14.737 -14.120 -13.868
  632    HD1  TYR  79           HD1      TYR  79 -13.308 -12.176 -14.752
  633    HD2  TYR  79           HD2      TYR  79 -11.799 -16.180 -14.187
  634    HE1  TYR  79           HE1      TYR  79 -11.535 -11.737 -16.423
  635    HE2  TYR  79           HE2      TYR  79 -10.065 -15.774 -15.895
  636    HH   TYR  79           HH       TYR  79  -9.124 -14.227 -17.380
  637    H    VAL  80           H        VAL  80 -15.461 -11.998 -11.973
  638    HA   VAL  80           HA       VAL  80 -17.479 -13.612 -10.482
  639    HB   VAL  80           HB       VAL  80 -18.061 -11.472  -9.319
  640   HG11  VAL  80          HG11      VAL  80 -16.340 -11.682  -7.583
  641   HG12  VAL  80          HG12      VAL  80 -16.879 -13.259  -8.155
  642   HG13  VAL  80          HG13      VAL  80 -15.312 -12.618  -8.690
  643   HG21  VAL  80          HG21      VAL  80 -16.397  -9.704  -9.052
  644   HG22  VAL  80          HG22      VAL  80 -15.283 -10.517 -10.163
  645   HG23  VAL  80          HG23      VAL  80 -16.820  -9.853 -10.761
  646    H    GLU  81           H        GLU  81 -19.621 -13.200 -11.020
  647    HA   GLU  81           HA       GLU  81 -20.120 -11.920 -13.655
  648    HB2  GLU  81           HB2      GLU  81 -21.950 -13.312 -11.643
  649    HB3  GLU  81           HB3      GLU  81 -22.491 -12.560 -13.154
  650    HG2  GLU  81           HG2      GLU  81 -20.909 -14.101 -14.394
  651    HG3  GLU  81           HG3      GLU  81 -20.616 -14.929 -12.863
  652    H    VAL  82           H        VAL  82 -21.189  -9.929 -13.838
  653    HA   VAL  82           HA       VAL  82 -21.739  -8.447 -11.345
  654    HB   VAL  82           HB       VAL  82 -19.313  -8.351 -11.788
  655   HG11  VAL  82          HG11      VAL  82 -18.429  -7.111 -13.745
  656   HG12  VAL  82          HG12      VAL  82 -19.172  -8.647 -14.196
  657   HG13  VAL  82          HG13      VAL  82 -20.025  -7.111 -14.482
  658   HG21  VAL  82          HG21      VAL  82 -20.640  -5.713 -12.382
  659   HG22  VAL  82          HG22      VAL  82 -20.444  -6.455 -10.766
  660   HG23  VAL  82          HG23      VAL  82 -19.017  -5.973 -11.702
  661    H    ALA  83           H        ALA  83 -23.235  -6.825 -11.619
  662    HA   ALA  83           HA       ALA  83 -24.318  -6.390 -14.375
  663    HB1  ALA  83           HB1      ALA  83 -25.900  -7.616 -12.965
  664    HB2  ALA  83           HB2      ALA  83 -25.785  -6.354 -11.710
  665    HB3  ALA  83           HB3      ALA  83 -26.486  -5.976 -13.300
  666    H    ASP  84           H        ASP  84 -24.601  -4.331 -15.040
  667    HA   ASP  84           HA       ASP  84 -22.930  -2.352 -13.682
  668    HB2  ASP  84           HB2      ASP  84 -22.647  -2.828 -16.055
  669    HB3  ASP  84           HB3      ASP  84 -24.329  -2.371 -16.365
  670    H    ILE  85           H        ILE  85 -24.658  -2.351 -11.896
  671    HA   ILE  85           HA       ILE  85 -27.092  -0.941 -12.273
  672    HB   ILE  85           HB       ILE  85 -27.114  -0.562  -9.887
  673   HG12  ILE  85          HG12      ILE  85 -24.279  -1.624  -9.788
  674   HG13  ILE  85          HG13      ILE  85 -24.722   0.065  -9.562
  675   HG21  ILE  85          HG21      ILE  85 -27.174  -2.874  -9.211
  676   HG22  ILE  85          HG22      ILE  85 -27.645  -2.804 -10.906
  677   HG23  ILE  85          HG23      ILE  85 -26.010  -3.345 -10.469
  678   HD11  ILE  85          HD11      ILE  85 -24.342  -0.986  -7.402
  679   HD12  ILE  85          HD12      ILE  85 -26.054  -0.543  -7.560
  680   HD13  ILE  85          HD13      ILE  85 -25.537  -2.235  -7.739
  681    H    GLY  86           H        GLY  86 -23.860   0.297 -12.397
  682    HA2  GLY  86           HA2      GLY  86 -24.571   3.083 -11.870
  683    HA3  GLY  86           HA3      GLY  86 -23.014   2.421 -12.393
  684    H    GLY  87           H        GLY  87 -25.034   0.995 -14.560
  685    HA2  GLY  87           HA2      GLY  87 -25.328   3.289 -16.425
  686    HA3  GLY  87           HA3      GLY  87 -24.184   1.999 -16.817
  687    H    LYS  88           H        LYS  88 -24.965  -0.053 -17.448
  688    HA   LYS  88           HA       LYS  88 -27.358   0.072 -18.947
  689    HB2  LYS  88           HB2      LYS  88 -25.936  -2.470 -18.037
  690    HB3  LYS  88           HB3      LYS  88 -27.056  -2.321 -19.389
  691    HG2  LYS  88           HG2      LYS  88 -24.319  -1.032 -19.229
  692    HG3  LYS  88           HG3      LYS  88 -24.759  -2.487 -20.122
  693    HD2  LYS  88           HD2      LYS  88 -26.346  -1.145 -21.525
  694    HD3  LYS  88           HD3      LYS  88 -25.881   0.307 -20.619
  695    HE2  LYS  88           HE2      LYS  88 -24.566   0.376 -22.561
  696    HE3  LYS  88           HE3      LYS  88 -23.501  -0.128 -21.235
  697    HZ1  LYS  88           HZ1      LYS  88 -23.712  -2.418 -22.040
  698    HZ2  LYS  88           HZ2      LYS  88 -24.687  -1.932 -23.268
  699    HZ3  LYS  88           HZ3      LYS  88 -23.133  -1.450 -23.223
  700    H    ASP  89           H        ASP  89 -26.849  -1.193 -15.726
  701    HA   ASP  89           HA       ASP  89 -28.037  -1.964 -14.075
  702    HB2  ASP  89           HB2      ASP  89 -29.013   0.257 -14.222
  703    HB3  ASP  89           HB3      ASP  89 -30.253  -0.331 -15.334
  704    H    ASP  90           H        ASP  90 -29.505  -2.736 -17.134
  705    HA   ASP  90           HA       ASP  90 -31.040  -4.995 -15.960
  706    HB2  ASP  90           HB2      ASP  90 -32.213  -3.098 -17.107
  707    HB3  ASP  90           HB3      ASP  90 -31.313  -3.491 -18.576
  708    H    ASP  91           H        ASP  91 -28.079  -4.728 -17.046
  709    HA   ASP  91           HA       ASP  91 -28.132  -7.298 -18.500
  710    HB2  ASP  91           HB2      ASP  91 -27.941  -5.328 -20.149
  711    HB3  ASP  91           HB3      ASP  91 -26.331  -5.072 -19.455
  712    H    VAL  92           H        VAL  92 -25.967  -8.267 -18.603
  713    HA   VAL  92           HA       VAL  92 -24.395  -7.776 -16.131
  714    HB   VAL  92           HB       VAL  92 -26.170  -9.327 -15.638
  715   HG11  VAL  92          HG11      VAL  92 -26.470 -11.493 -16.769
  716   HG12  VAL  92          HG12      VAL  92 -26.785 -10.150 -17.862
  717   HG13  VAL  92          HG13      VAL  92 -25.252 -11.044 -17.978
  718   HG21  VAL  92          HG21      VAL  92 -24.972 -11.335 -14.928
  719   HG22  VAL  92          HG22      VAL  92 -23.585 -10.901 -15.934
  720   HG23  VAL  92          HG23      VAL  92 -24.059  -9.870 -14.562
  721    H    TYR  93           H        TYR  93 -22.324  -8.545 -16.133
  722    HA   TYR  93           HA       TYR  93 -21.052  -9.555 -18.611
  723    HB2  TYR  93           HB2      TYR  93 -20.152  -7.144 -16.964
  724    HB3  TYR  93           HB3      TYR  93 -19.302  -7.820 -18.344
  725    HD1  TYR  93           HD1      TYR  93 -20.320  -7.708 -20.648
  726    HD2  TYR  93           HD2      TYR  93 -21.969  -5.570 -17.279
  727    HE1  TYR  93           HE1      TYR  93 -21.587  -6.261 -22.197
  728    HE2  TYR  93           HE2      TYR  93 -23.256  -4.127 -18.818
  729    HH   TYR  93           HH       TYR  93 -23.101  -4.564 -22.402
  730    H    THR  94           H        THR  94 -18.466  -9.587 -17.715
  731    HA   THR  94           HA       THR  94 -18.452 -10.894 -15.051
  732    HB   THR  94           HB       THR  94 -16.825 -11.766 -17.473
  733    HG1  THR  94           HG1      THR  94 -19.001 -12.297 -17.733
  734   HG21  THR  94          HG21      THR  94 -15.729 -12.301 -15.325
  735   HG22  THR  94          HG22      THR  94 -17.221 -13.078 -14.749
  736   HG23  THR  94          HG23      THR  94 -16.317 -13.769 -16.114
  737    H    ALA  95           H        ALA  95 -16.593 -10.339 -13.814
  738    HA   ALA  95           HA       ALA  95 -14.663  -8.410 -14.984
  739    HB1  ALA  95           HB1      ALA  95 -14.831  -7.054 -12.869
  740    HB2  ALA  95           HB2      ALA  95 -16.279  -6.990 -13.867
  741    HB3  ALA  95           HB3      ALA  95 -16.255  -8.012 -12.409
  742    H    LYS  96           H        LYS  96 -12.758  -8.187 -13.713
  743    HA   LYS  96           HA       LYS  96 -11.850 -10.705 -12.454
  744    HB2  LYS  96           HB2      LYS  96 -10.377  -8.059 -12.793
  745    HB3  LYS  96           HB3      LYS  96  -9.668  -9.617 -12.453
  746    HG2  LYS  96           HG2      LYS  96  -9.664 -10.294 -14.627
  747    HG3  LYS  96           HG3      LYS  96 -11.189  -9.533 -15.038
  748    HD2  LYS  96           HD2      LYS  96  -8.564  -8.049 -14.678
  749    HD3  LYS  96           HD3      LYS  96  -9.266  -8.526 -16.231
  750    HE2  LYS  96           HE2      LYS  96 -11.232  -7.070 -15.859
  751    HE3  LYS  96           HE3      LYS  96 -10.668  -6.685 -14.238
  752    HZ1  LYS  96           HZ1      LYS  96  -9.963  -4.896 -15.429
  753    HZ2  LYS  96           HZ2      LYS  96  -8.605  -5.784 -15.421
  754    HZ3  LYS  96           HZ3      LYS  96  -9.526  -5.760 -16.773
  755    H    LEU  97           H        LEU  97 -12.056 -10.926 -10.175
  756    HA   LEU  97           HA       LEU  97 -13.254  -8.877  -8.630
  757    HB2  LEU  97           HB2      LEU  97 -13.322 -11.257  -8.063
  758    HB3  LEU  97           HB3      LEU  97 -11.577 -11.268  -7.789
  759    HG   LEU  97           HG       LEU  97 -11.871  -9.764  -5.839
  760   HD11  LEU  97          HD11      LEU  97 -13.908  -8.535  -6.459
  761   HD12  LEU  97          HD12      LEU  97 -14.856 -10.039  -6.447
  762   HD13  LEU  97          HD13      LEU  97 -14.182  -9.386  -4.942
  763   HD21  LEU  97          HD21      LEU  97 -11.894 -12.244  -5.643
  764   HD22  LEU  97          HD22      LEU  97 -12.843 -11.460  -4.384
  765   HD23  LEU  97          HD23      LEU  97 -13.668 -12.222  -5.764
  766    H    SER  98           H        SER  98  -9.844  -9.425  -9.442
  767    HA   SER  98           HA       SER  98  -8.603  -7.855  -7.413
  768    HB2  SER  98           HB2      SER  98  -6.820  -7.752  -9.334
  769    HB3  SER  98           HB3      SER  98  -7.203  -9.297  -8.561
  770    HG   SER  98           HG       SER  98  -7.197  -9.408 -10.875
  771    H    ASP  99           H        ASP  99 -10.528  -6.935 -10.207
  772    HA   ASP  99           HA       ASP  99  -9.316  -4.241 -10.269
  773    HB2  ASP  99           HB2      ASP  99  -9.514  -5.809 -12.317
  774    HB3  ASP  99           HB3      ASP  99 -11.239  -5.446 -12.282
  775    H    ILE 100           H        ILE 100 -11.475  -5.560  -8.464
  776    HA   ILE 100           HA       ILE 100 -13.460  -3.342  -8.576
  777    HB   ILE 100           HB       ILE 100 -13.759  -6.295  -8.382
  778   HG12  ILE 100          HG12      ILE 100 -15.645  -4.071  -9.259
  779   HG13  ILE 100          HG13      ILE 100 -14.437  -4.832 -10.315
  780   HG21  ILE 100          HG21      ILE 100 -15.720  -4.595  -6.802
  781   HG22  ILE 100          HG22      ILE 100 -15.823  -6.338  -7.121
  782   HG23  ILE 100          HG23      ILE 100 -14.539  -5.731  -6.101
  783   HD11  ILE 100          HD11      ILE 100 -16.887  -6.122  -9.083
  784   HD12  ILE 100          HD12      ILE 100 -16.561  -5.810 -10.793
  785   HD13  ILE 100          HD13      ILE 100 -15.605  -7.035  -9.926
  786    H    GLU 101           H        GLU 101 -14.233  -2.604  -6.704
  787    HA   GLU 101           HA       GLU 101 -12.716  -3.121  -4.186
  788    HB2  GLU 101           HB2      GLU 101 -12.154  -0.928  -5.077
  789    HB3  GLU 101           HB3      GLU 101 -13.866  -0.537  -5.327
  790    HG2  GLU 101           HG2      GLU 101 -14.289  -0.467  -2.952
  791    HG3  GLU 101           HG3      GLU 101 -12.713  -1.174  -2.592
  792    H    ALA 102           H        ALA 102 -14.053  -4.111  -2.751
  793    HA   ALA 102           HA       ALA 102 -16.880  -4.427  -3.383
  794    HB1  ALA 102           HB1      ALA 102 -16.885  -5.891  -1.439
  795    HB2  ALA 102           HB2      ALA 102 -15.467  -6.240  -2.445
  796    HB3  ALA 102           HB3      ALA 102 -15.280  -5.315  -0.936
  797    H    ILE 103           H        ILE 103 -18.574  -3.473  -2.395
  798    HA   ILE 103           HA       ILE 103 -18.129  -1.515  -0.187
  799    HB   ILE 103           HB       ILE 103 -19.650  -1.251  -2.794
  800   HG12  ILE 103          HG12      ILE 103 -17.516   0.551  -1.563
  801   HG13  ILE 103          HG13      ILE 103 -17.180  -0.698  -2.758
  802   HG21  ILE 103          HG21      ILE 103 -20.523   0.925  -2.027
  803   HG22  ILE 103          HG22      ILE 103 -21.111  -0.364  -1.002
  804   HG23  ILE 103          HG23      ILE 103 -19.781   0.673  -0.430
  805   HD11  ILE 103          HD11      ILE 103 -18.679   0.408  -4.376
  806   HD12  ILE 103          HD12      ILE 103 -18.870   1.768  -3.237
  807   HD13  ILE 103          HD13      ILE 103 -17.273   1.382  -3.889
  808    H    ASP 104           H        ASP 104 -19.692  -1.515   1.387
  809    HA   ASP 104           HA       ASP 104 -21.296  -2.255   2.734
  810    HB2  ASP 104           HB2      ASP 104 -22.628  -1.093   0.994
  811    HB3  ASP 104           HB3      ASP 104 -22.930  -2.643   0.210
  812    H    VAL 105           H        VAL 105 -19.413  -4.314   1.692
  813    HA   VAL 105           HA       VAL 105 -20.908  -6.827   1.773
  814    HB   VAL 105           HB       VAL 105 -18.490  -7.750   1.907
  815   HG11  VAL 105          HG11      VAL 105 -19.430  -6.199  -0.517
  816   HG12  VAL 105          HG12      VAL 105 -18.231  -7.521  -0.507
  817   HG13  VAL 105          HG13      VAL 105 -19.898  -7.851  -0.027
  818   HG21  VAL 105          HG21      VAL 105 -16.680  -6.405   1.191
  819   HG22  VAL 105          HG22      VAL 105 -17.705  -4.976   0.938
  820   HG23  VAL 105          HG23      VAL 105 -17.404  -5.588   2.585
  821    H    ASP 106           H        ASP 106 -20.223  -8.526   3.268
  822    HA   ASP 106           HA       ASP 106 -20.328  -7.697   6.087
  823    HB2  ASP 106           HB2      ASP 106 -21.441  -9.778   5.330
  824    HB3  ASP 106           HB3      ASP 106 -19.877 -10.410   4.788
  825    H    ASP 107           H        ASP 107 -18.579  -8.314   7.575
  826    HA   ASP 107           HA       ASP 107 -15.991  -7.395   6.789
  827    HB2  ASP 107           HB2      ASP 107 -16.792  -7.316   9.099
  828    HB3  ASP 107           HB3      ASP 107 -16.882  -9.079   9.159
  829    H    ASP 108           H        ASP 108 -17.261 -10.794   7.098
  830    HA   ASP 108           HA       ASP 108 -14.597 -11.857   6.659
  831    HB2  ASP 108           HB2      ASP 108 -16.577 -12.972   7.881
  832    HB3  ASP 108           HB3      ASP 108 -17.196 -13.368   6.270
  833    H    THR 109           H        THR 109 -17.209 -10.803   4.615
  834    HA   THR 109           HA       THR 109 -16.355 -12.162   2.167
  835    HB   THR 109           HB       THR 109 -18.274  -9.888   2.817
  836    HG1  THR 109           HG1      THR 109 -18.699 -12.135   3.422
  837   HG21  THR 109          HG21      THR 109 -17.548  -9.631   0.444
  838   HG22  THR 109          HG22      THR 109 -18.033 -11.309   0.149
  839   HG23  THR 109          HG23      THR 109 -19.251 -10.119   0.620
  840    H    GLN 110           H        GLN 110 -16.093  -8.803   3.567
  841    HA   GLN 110           HA       GLN 110 -14.458  -7.765   1.532
  842    HB2  GLN 110           HB2      GLN 110 -15.656  -6.657   3.615
  843    HB3  GLN 110           HB3      GLN 110 -14.138  -6.946   4.442
  844    HG2  GLN 110           HG2      GLN 110 -14.498  -5.366   1.847
  845    HG3  GLN 110           HG3      GLN 110 -14.353  -4.660   3.448
  846   HE21  GLN 110          HE22      GLN 110 -12.574  -5.482   0.674
  847   HE22  GLN 110          HE21      GLN 110 -10.984  -5.486   1.386
  848    H    GLU 111           H        GLU 111 -13.534  -9.433   4.608
  849    HA   GLU 111           HA       GLU 111 -10.746  -9.190   4.248
  850    HB2  GLU 111           HB2      GLU 111 -12.479 -11.172   5.765
  851    HB3  GLU 111           HB3      GLU 111 -10.721 -11.229   5.833
  852    HG2  GLU 111           HG2      GLU 111 -12.289  -8.705   6.555
  853    HG3  GLU 111           HG3      GLU 111 -11.909  -9.970   7.714
  854    H    ALA 112           H        ALA 112 -13.008 -11.700   2.967
  855    HA   ALA 112           HA       ALA 112 -10.907 -13.425   2.026
  856    HB1  ALA 112           HB1      ALA 112 -13.257 -14.155   2.318
  857    HB2  ALA 112           HB2      ALA 112 -13.755 -13.098   0.973
  858    HB3  ALA 112           HB3      ALA 112 -12.658 -14.467   0.682
  859    H    ILE 113           H        ILE 113 -12.752 -10.737   0.514
  860    HA   ILE 113           HA       ILE 113 -11.509 -10.924  -2.060
  861    HB   ILE 113           HB       ILE 113 -12.868  -8.615  -0.606
  862   HG12  ILE 113          HG12      ILE 113 -13.969 -10.444  -2.790
  863   HG13  ILE 113          HG13      ILE 113 -14.226 -10.742  -1.090
  864   HG21  ILE 113          HG21      ILE 113 -13.148  -7.581  -2.863
  865   HG22  ILE 113          HG22      ILE 113 -11.458  -7.698  -2.398
  866   HG23  ILE 113          HG23      ILE 113 -12.129  -8.861  -3.556
  867   HD11  ILE 113          HD11      ILE 113 -15.260  -8.403  -2.693
  868   HD12  ILE 113          HD12      ILE 113 -16.172  -9.674  -1.864
  869   HD13  ILE 113          HD13      ILE 113 -15.302  -8.457  -0.908
  870    H    ALA 114           H        ALA 114 -10.716  -9.043   0.905
  871    HA   ALA 114           HA       ALA 114  -8.488  -7.643  -0.135
  872    HB1  ALA 114           HB1      ALA 114  -8.966  -8.605   2.718
  873    HB2  ALA 114           HB2      ALA 114  -7.860  -7.319   2.205
  874    HB3  ALA 114           HB3      ALA 114  -9.610  -7.103   2.017
  875    H    ASP 115           H        ASP 115  -8.717 -10.914   1.368
  876    HA   ASP 115           HA       ASP 115  -5.885 -11.349   1.407
  877    HB2  ASP 115           HB2      ASP 115  -7.472 -12.613   2.794
  878    HB3  ASP 115           HB3      ASP 115  -8.153 -13.367   1.346
  879    H    TRP 116           H        TRP 116  -8.412 -12.159  -1.021
  880    HA   TRP 116           HA       TRP 116  -6.708 -13.419  -2.930
  881    HB2  TRP 116           HB2      TRP 116  -8.925 -13.684  -3.461
  882    HB3  TRP 116           HB3      TRP 116  -9.383 -12.084  -2.909
  883    HD1  TRP 116           HD1      TRP 116  -9.636 -10.213  -4.595
  884    HE1  TRP 116           HE1      TRP 116  -9.297  -9.935  -7.113
  885    HE3  TRP 116           HE3      TRP 116  -7.404 -14.680  -5.629
  886    HZ2  TRP 116           HZ2      TRP 116  -8.137 -11.431  -9.312
  887    HZ3  TRP 116           HZ3      TRP 116  -6.562 -15.177  -7.917
  888    HH2  TRP 116           HH2      TRP 116  -6.911 -13.545  -9.753
  889    H    LEU 117           H        LEU 117  -7.521  -9.937  -2.423
  890    HA   LEU 117           HA       LEU 117  -5.920  -8.970  -4.573
  891    HB2  LEU 117           HB2      LEU 117  -6.862  -7.721  -1.966
  892    HB3  LEU 117           HB3      LEU 117  -5.872  -6.829  -3.101
  893    HG   LEU 117           HG       LEU 117  -8.468  -8.140  -3.996
  894   HD11  LEU 117          HD11      LEU 117  -9.046  -6.697  -2.112
  895   HD12  LEU 117          HD12      LEU 117  -8.121  -5.351  -2.816
  896   HD13  LEU 117          HD13      LEU 117  -9.583  -5.964  -3.627
  897   HD21  LEU 117          HD21      LEU 117  -6.938  -7.376  -5.781
  898   HD22  LEU 117          HD22      LEU 117  -8.385  -6.352  -5.712
  899   HD23  LEU 117          HD23      LEU 117  -6.854  -5.767  -5.039
  900    H    TYR 118           H        TYR 118  -5.093  -9.525  -1.077
  901    HA   TYR 118           HA       TYR 118  -2.467  -8.498  -1.240
  902    HB2  TYR 118           HB2      TYR 118  -3.552 -10.669   0.589
  903    HB3  TYR 118           HB3      TYR 118  -2.034  -9.827   0.816
  904    HD1  TYR 118           HD2      TYR 118  -3.213  -6.949   0.068
  905    HD2  TYR 118           HD1      TYR 118  -4.387 -10.111   2.771
  906    HE1  TYR 118           HE2      TYR 118  -4.342  -5.300   1.498
  907    HE2  TYR 118           HE1      TYR 118  -5.528  -8.456   4.209
  908    HH   TYR 118           HH       TYR 118  -5.589  -4.943   3.435
  909    H    TRP 119           H        TRP 119  -3.634 -11.867  -1.836
  910    HA   TRP 119           HA       TRP 119  -1.147 -13.117  -2.358
  911    HB2  TRP 119           HB2      TRP 119  -3.096 -14.452  -2.253
  912    HB3  TRP 119           HB3      TRP 119  -4.021 -13.413  -3.311
  913    HD1  TRP 119           HD1      TRP 119  -0.725 -14.277  -4.688
  914    HE1  TRP 119           HE1      TRP 119  -0.812 -16.114  -6.442
  915    HE3  TRP 119           HE3      TRP 119  -5.673 -15.245  -4.447
  916    HZ2  TRP 119           HZ2      TRP 119  -2.783 -18.075  -7.302
  917    HZ3  TRP 119           HZ3      TRP 119  -6.699 -16.972  -5.912
  918    HH2  TRP 119           HH2      TRP 119  -5.274 -18.436  -7.305
  919    H    LEU 120           H        LEU 120  -3.409 -11.663  -4.660
  920    HA   LEU 120           HA       LEU 120  -1.632 -11.976  -6.773
  921    HB2  LEU 120           HB2      LEU 120  -4.225 -11.474  -6.729
  922    HB3  LEU 120           HB3      LEU 120  -3.734  -9.780  -6.777
  923    HG   LEU 120           HG       LEU 120  -2.368 -10.367  -8.881
  924   HD11  LEU 120          HD11      LEU 120  -2.191 -12.831  -8.535
  925   HD12  LEU 120          HD12      LEU 120  -3.951 -12.973  -8.643
  926   HD13  LEU 120          HD13      LEU 120  -3.006 -12.466 -10.062
  927   HD21  LEU 120          HD21      LEU 120  -4.542  -9.256  -8.995
  928   HD22  LEU 120          HD22      LEU 120  -4.359 -10.395 -10.340
  929   HD23  LEU 120          HD23      LEU 120  -5.377 -10.828  -8.945
  930    H    ALA 121           H        ALA 121  -1.965  -9.260  -4.578
  931    HA   ALA 121           HA       ALA 121  -0.251  -7.455  -5.940
  932    HB1  ALA 121           HB1      ALA 121  -1.020  -7.778  -3.000
  933    HB2  ALA 121           HB2      ALA 121  -0.257  -6.317  -3.686
  934    HB3  ALA 121           HB3      ALA 121  -1.889  -6.813  -4.204
  935    H    ARG 122           H        ARG 122   0.437 -10.111  -3.648
  936    HA   ARG 122           HA       ARG 122   3.296  -9.522  -3.384
  937    HB2  ARG 122           HB2      ARG 122   2.218 -10.757  -1.719
  938    HB3  ARG 122           HB3      ARG 122   1.597 -11.963  -2.846
  939    HG2  ARG 122           HG2      ARG 122   3.662 -13.005  -3.139
  940    HG3  ARG 122           HG3      ARG 122   4.585 -11.565  -2.677
  941    HD2  ARG 122           HD2      ARG 122   4.676 -13.261  -0.922
  942    HD3  ARG 122           HD3      ARG 122   3.908 -11.753  -0.395
  943    HE   ARG 122           HE       ARG 122   1.708 -12.858  -0.751
  944   HH11  ARG 122          HH11      ARG 122   4.518 -14.989  -0.007
  945   HH12  ARG 122          HH12      ARG 122   3.490 -16.234   0.640
  946   HH21  ARG 122          HH21      ARG 122   0.446 -14.527   0.132
  947   HH22  ARG 122          HH22      ARG 122   1.201 -15.947   0.780
  948    H    GLY 123           H        GLY 123   1.136 -11.292  -5.560
  949    HA2  GLY 123           HA2      GLY 123   2.183 -11.079  -7.923
  950    HA3  GLY 123           HA3      GLY 123   3.366 -12.232  -7.292
  951    H    TYR 124           H        TYR 124   1.874 -12.793  -9.440
  952    HA   TYR 124           HA       TYR 124  -0.172 -14.798  -8.672
  953    HB2  TYR 124           HB2      TYR 124  -0.515 -13.279 -10.651
  954    HB3  TYR 124           HB3      TYR 124   0.851 -14.058 -11.440
  955    HD1  TYR 124           HD2      TYR 124  -2.312 -15.063  -9.600
  956    HD2  TYR 124           HD1      TYR 124   0.245 -15.723 -13.022
  957    HE1  TYR 124           HE2      TYR 124  -3.782 -16.894 -10.336
  958    HE2  TYR 124           HE1      TYR 124  -1.184 -17.617 -13.721
  959    HH   TYR 124           HH       TYR 124  -3.041 -18.906 -13.229
  960    H    LYS 125           H        LYS 125   0.772 -16.590 -10.904
  961    HA   LYS 125           HA       LYS 125   1.840 -18.602 -10.979
  962    HB2  LYS 125           HB2      LYS 125   4.253 -16.848 -10.385
  963    HB3  LYS 125           HB3      LYS 125   4.295 -18.453 -11.102
  964    HG2  LYS 125           HG2      LYS 125   3.007 -15.992 -12.367
  965    HG3  LYS 125           HG3      LYS 125   4.593 -16.657 -12.753
  966    HD2  LYS 125           HD2      LYS 125   3.509 -18.795 -13.476
  967    HD3  LYS 125           HD3      LYS 125   1.916 -18.052 -13.202
  968    HE2  LYS 125           HE2      LYS 125   2.457 -16.269 -14.835
  969    HE3  LYS 125           HE3      LYS 125   4.060 -16.968 -15.084
  970    HZ1  LYS 125           HZ1      LYS 125   2.530 -17.639 -16.817
  971    HZ2  LYS 125           HZ2      LYS 125   2.994 -18.952 -15.977
  972    HZ3  LYS 125           HZ3      LYS 125   1.505 -18.315 -15.749
  973    H    PHE 126           H        PHE 126   0.510 -18.794  -8.884
  974    HA   PHE 126           HA       PHE 126   1.612 -18.981  -6.330
  975    HB2  PHE 126           HB2      PHE 126  -0.819 -19.230  -7.099
  976    HB3  PHE 126           HB3      PHE 126  -0.449 -20.907  -7.475
  977    HD1  PHE 126           HD2      PHE 126   0.372 -22.425  -5.533
  978    HD2  PHE 126           HD1      PHE 126  -1.314 -18.506  -4.882
  979    HE1  PHE 126           HE2      PHE 126   0.002 -22.972  -3.142
  980    HE2  PHE 126           HE1      PHE 126  -1.668 -19.055  -2.494
  981    HZ   PHE 126           HZ       PHE 126  -0.994 -21.279  -1.615
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   8.118  -4.514  -4.684
    2    H2   MET   1           H2       MET   1   7.936  -3.079  -3.925
    3    H3   MET   1           H3       MET   1   9.316  -3.947  -3.721
    4    HA   MET   1           HA       MET   1   8.117  -5.704  -2.625
    5    HB2  MET   1           HB2      MET   1   9.093  -3.737  -1.321
    6    HB3  MET   1           HB3      MET   1   7.464  -3.045  -1.282
    7    HG2  MET   1           HG2      MET   1   6.670  -5.153  -0.176
    8    HG3  MET   1           HG3      MET   1   8.330  -5.750  -0.184
    9    HE1  MET   1           HE1      MET   1   6.487  -5.769   2.326
   10    HE2  MET   1           HE2      MET   1   8.175  -6.321   2.351
   11    HE3  MET   1           HE3      MET   1   7.596  -5.184   3.588
   12    H    ALA   2           H        ALA   2   6.199  -6.792  -2.415
   13    HA   ALA   2           HA       ALA   2   3.820  -5.768  -3.772
   14    HB1  ALA   2           HB1      ALA   2   2.907  -7.964  -3.245
   15    HB2  ALA   2           HB2      ALA   2   4.539  -8.144  -3.902
   16    HB3  ALA   2           HB3      ALA   2   4.262  -8.314  -2.153
   17    H    SER   3           H        SER   3   5.031  -5.861  -0.512
   18    HA   SER   3           HA       SER   3   4.408  -4.901   1.391
   19    HB2  SER   3           HB2      SER   3   1.869  -3.859   0.093
   20    HB3  SER   3           HB3      SER   3   2.581  -3.355   1.630
   21    HG   SER   3           HG       SER   3   3.103  -1.930  -0.092
   22    H    VAL   4           H        VAL   4   3.666  -7.602   0.333
   23    HA   VAL   4           HA       VAL   4   1.884  -8.384   2.562
   24    HB   VAL   4           HB       VAL   4   0.592  -9.897   1.047
   25   HG11  VAL   4          HG11      VAL   4  -0.371  -7.733   1.773
   26   HG12  VAL   4          HG12      VAL   4   0.255  -6.970   0.293
   27   HG13  VAL   4          HG13      VAL   4  -0.954  -8.257   0.186
   28   HG21  VAL   4          HG21      VAL   4   2.232  -9.900  -0.872
   29   HG22  VAL   4          HG22      VAL   4   0.557  -9.582  -1.332
   30   HG23  VAL   4          HG23      VAL   4   1.707  -8.243  -1.251
   31    H    GLU   5           H        GLU   5   4.799  -8.825   0.972
   32    HA   GLU   5           HA       GLU   5   4.986 -11.733   1.288
   33    HB2  GLU   5           HB2      GLU   5   7.238 -11.464   0.461
   34    HB3  GLU   5           HB3      GLU   5   6.089 -10.703  -0.613
   35    HG2  GLU   5           HG2      GLU   5   7.513  -8.997   1.456
   36    HG3  GLU   5           HG3      GLU   5   8.384  -9.550   0.033
   37    H    ARG   6           H        ARG   6   7.463 -12.110   2.334
   38    HA   ARG   6           HA       ARG   6   8.375 -12.671   4.280
   39    HB2  ARG   6           HB2      ARG   6   9.148 -10.347   3.535
   40    HB3  ARG   6           HB3      ARG   6   8.236  -9.705   4.903
   41    HG2  ARG   6           HG2      ARG   6   9.648 -10.902   6.480
   42    HG3  ARG   6           HG3      ARG   6  10.352 -11.896   5.184
   43    HD2  ARG   6           HD2      ARG   6  11.324  -9.917   4.139
   44    HD3  ARG   6           HD3      ARG   6  10.648  -8.871   5.389
   45    HE   ARG   6           HE       ARG   6  12.974 -10.646   5.565
   46   HH11  ARG   6          HH11      ARG   6  10.636  -8.766   7.469
   47   HH12  ARG   6          HH12      ARG   6  11.629  -8.691   8.876
   48   HH21  ARG   6          HH21      ARG   6  14.294 -10.547   7.439
   49   HH22  ARG   6          HH22      ARG   6  13.756  -9.726   8.854
   50    H    ASP   7           H        ASP   7   5.688 -13.207   4.438
   51    HA   ASP   7           HA       ASP   7   5.488 -13.433   7.343
   52    HB2  ASP   7           HB2      ASP   7   4.077 -11.478   7.052
   53    HB3  ASP   7           HB3      ASP   7   3.219 -12.239   5.706
   54    H    GLU   8           H        GLU   8   5.844 -15.596   7.186
   55    HA   GLU   8           HA       GLU   8   4.951 -17.251   5.052
   56    HB2  GLU   8           HB2      GLU   8   5.753 -19.098   6.410
   57    HB3  GLU   8           HB3      GLU   8   6.904 -17.764   6.378
   58    HG2  GLU   8           HG2      GLU   8   6.106 -17.041   8.644
   59    HG3  GLU   8           HG3      GLU   8   4.984 -18.402   8.666
   60    H    THR   9           H        THR   9   3.177 -16.075   7.842
   61    HA   THR   9           HA       THR   9   1.465 -18.239   8.335
   62    HB   THR   9           HB       THR   9   0.564 -15.352   8.367
   63    HG1  THR   9           HG1      THR   9   2.414 -15.125   9.301
   64   HG21  THR   9          HG21      THR   9   0.040 -17.711  10.231
   65   HG22  THR   9          HG22      THR   9  -0.562 -16.053  10.470
   66   HG23  THR   9          HG23      THR   9  -1.109 -16.996   9.079
   67    H    ARG  10           H        ARG  10   1.287 -15.774   5.747
   68    HA   ARG  10           HA       ARG  10  -1.304 -16.484   4.813
   69    HB2  ARG  10           HB2      ARG  10   0.945 -15.468   3.027
   70    HB3  ARG  10           HB3      ARG  10  -0.789 -15.267   2.800
   71    HG2  ARG  10           HG2      ARG  10   0.951 -13.961   4.925
   72    HG3  ARG  10           HG3      ARG  10   0.261 -13.169   3.520
   73    HD2  ARG  10           HD2      ARG  10  -1.835 -12.977   4.445
   74    HD3  ARG  10           HD3      ARG  10  -1.700 -14.466   5.393
   75    HE   ARG  10           HE       ARG  10   0.199 -12.812   6.516
   76   HH11  ARG  10          HH11      ARG  10  -3.335 -12.559   6.137
   77   HH12  ARG  10          HH12      ARG  10  -3.532 -11.698   7.619
   78   HH21  ARG  10          HH21      ARG  10  -0.021 -11.804   8.335
   79   HH22  ARG  10          HH22      ARG  10  -1.553 -11.207   8.948
   80    H    GLU  11           H        GLU  11   1.925 -17.750   3.919
   81    HA   GLU  11           HA       GLU  11   0.907 -19.507   1.868
   82    HB2  GLU  11           HB2      GLU  11   3.551 -19.293   3.347
   83    HB3  GLU  11           HB3      GLU  11   3.210 -20.611   2.212
   84    HG2  GLU  11           HG2      GLU  11   2.707 -19.008   0.425
   85    HG3  GLU  11           HG3      GLU  11   2.978 -17.660   1.532
   86    H    HIS  12           H        HIS  12   1.569 -19.854   5.383
   87    HA   HIS  12           HA       HIS  12   1.155 -22.711   5.425
   88    HB2  HIS  12           HB2      HIS  12   0.937 -20.551   7.564
   89    HB3  HIS  12           HB3      HIS  12   0.619 -22.252   7.884
   90    HD1  HIS  12           HD1      HIS  12   2.707 -22.795   9.386
   91    HD2  HIS  12           HD2      HIS  12   3.588 -21.003   5.684
   92    HE1  HIS  12           HE1      HIS  12   5.233 -22.926   9.113
   93    H    ARG  13           H        ARG  13  -1.065 -19.930   6.075
   94    HA   ARG  13           HA       ARG  13  -3.268 -21.716   6.639
   95    HB2  ARG  13           HB2      ARG  13  -3.296 -18.739   5.957
   96    HB3  ARG  13           HB3      ARG  13  -4.685 -19.675   6.495
   97    HG2  ARG  13           HG2      ARG  13  -2.278 -18.835   8.103
   98    HG3  ARG  13           HG3      ARG  13  -3.989 -18.570   8.409
   99    HD2  ARG  13           HD2      ARG  13  -4.083 -21.191   8.688
  100    HD3  ARG  13           HD3      ARG  13  -2.329 -21.072   8.806
  101    HE   ARG  13           HE       ARG  13  -2.493 -19.993  10.850
  102   HH11  ARG  13          HH11      ARG  13  -5.785 -20.563   9.533
  103   HH12  ARG  13          HH12      ARG  13  -6.563 -20.107  11.009
  104   HH21  ARG  13          HH21      ARG  13  -3.574 -19.443  12.794
  105   HH22  ARG  13          HH22      ARG  13  -5.292 -19.494  12.895
  106    H    ILE  14           H        ILE  14  -2.439 -19.908   3.622
  107    HA   ILE  14           HA       ILE  14  -4.772 -20.718   2.291
  108    HB   ILE  14           HB       ILE  14  -3.197 -18.995   1.446
  109   HG12  ILE  14          HG12      ILE  14  -4.155 -21.213  -0.386
  110   HG13  ILE  14          HG13      ILE  14  -4.963 -19.712   0.030
  111   HG21  ILE  14          HG21      ILE  14  -1.101 -20.389   1.741
  112   HG22  ILE  14          HG22      ILE  14  -1.522 -21.229   0.242
  113   HG23  ILE  14          HG23      ILE  14  -1.211 -19.478   0.245
  114   HD11  ILE  14          HD11      ILE  14  -3.197 -18.438  -1.184
  115   HD12  ILE  14          HD12      ILE  14  -2.475 -19.984  -1.707
  116   HD13  ILE  14          HD13      ILE  14  -4.098 -19.563  -2.220
  117    H    GLU  15           H        GLU  15  -1.576 -22.374   2.513
  118    HA   GLU  15           HA       GLU  15  -2.193 -24.578   0.888
  119    HB2  GLU  15           HB2      GLU  15   0.061 -23.877   1.579
  120    HB3  GLU  15           HB3      GLU  15  -0.300 -24.313   3.251
  121    HG2  GLU  15           HG2      GLU  15   1.045 -26.040   2.219
  122    HG3  GLU  15           HG3      GLU  15  -0.548 -26.666   2.628
  123    H    THR  16           H        THR  16  -2.697 -24.114   4.431
  124    HA   THR  16           HA       THR  16  -3.521 -26.934   4.647
  125    HB   THR  16           HB       THR  16  -3.661 -26.386   7.090
  126    HG1  THR  16           HG1      THR  16  -2.385 -23.967   6.354
  127   HG21  THR  16          HG21      THR  16  -1.231 -26.238   7.413
  128   HG22  THR  16          HG22      THR  16  -1.633 -27.364   6.108
  129   HG23  THR  16          HG23      THR  16  -1.010 -25.749   5.718
  130    H    GLU  17           H        GLU  17  -5.245 -24.032   3.970
  131    HA   GLU  17           HA       GLU  17  -7.755 -25.296   5.023
  132    HB2  GLU  17           HB2      GLU  17  -7.122 -22.324   4.969
  133    HB3  GLU  17           HB3      GLU  17  -8.536 -23.124   5.649
  134    HG2  GLU  17           HG2      GLU  17  -6.946 -24.348   7.235
  135    HG3  GLU  17           HG3      GLU  17  -5.669 -23.276   6.655
  136    H    ILE  18           H        ILE  18  -6.421 -23.143   2.439
  137    HA   ILE  18           HA       ILE  18  -9.110 -23.007   1.241
  138    HB   ILE  18           HB       ILE  18  -6.493 -21.586   0.634
  139   HG12  ILE  18          HG12      ILE  18  -9.123 -20.632   1.875
  140   HG13  ILE  18          HG13      ILE  18  -7.664 -20.999   2.787
  141   HG21  ILE  18          HG21      ILE  18  -9.228 -21.185  -0.634
  142   HG22  ILE  18          HG22      ILE  18  -7.821 -20.123  -0.888
  143   HG23  ILE  18          HG23      ILE  18  -7.800 -21.774  -1.466
  144   HD11  ILE  18          HD11      ILE  18  -6.461 -19.158   1.663
  145   HD12  ILE  18          HD12      ILE  18  -7.956 -18.719   0.801
  146   HD13  ILE  18          HD13      ILE  18  -7.886 -18.621   2.563
  147    H    ILE  19           H        ILE  19  -5.931 -24.447   0.555
  148    HA   ILE  19           HA       ILE  19  -7.085 -25.755  -1.874
  149    HB   ILE  19           HB       ILE  19  -4.951 -25.393  -2.965
  150   HG12  ILE  19          HG12      ILE  19  -4.118 -24.242  -0.315
  151   HG13  ILE  19          HG13      ILE  19  -3.354 -25.509  -1.232
  152   HG21  ILE  19          HG21      ILE  19  -5.202 -23.089  -3.472
  153   HG22  ILE  19          HG22      ILE  19  -6.814 -23.663  -3.044
  154   HG23  ILE  19          HG23      ILE  19  -5.860 -22.718  -1.875
  155   HD11  ILE  19          HD11      ILE  19  -2.595 -23.832  -2.878
  156   HD12  ILE  19          HD12      ILE  19  -3.372 -22.549  -1.933
  157   HD13  ILE  19          HD13      ILE  19  -2.036 -23.465  -1.228
  158    H    VAL  20           H        VAL  20  -6.403 -26.648   1.096
  159    HA   VAL  20           HA       VAL  20  -4.290 -28.448   1.017
  160    HB   VAL  20           HB       VAL  20  -5.590 -27.517   2.940
  161   HG11  VAL  20          HG11      VAL  20  -7.454 -28.669   3.920
  162   HG12  VAL  20          HG12      VAL  20  -7.884 -28.108   2.302
  163   HG13  VAL  20          HG13      VAL  20  -7.510 -29.827   2.581
  164   HG21  VAL  20          HG21      VAL  20  -5.121 -29.372   4.456
  165   HG22  VAL  20          HG22      VAL  20  -5.049 -30.503   3.086
  166   HG23  VAL  20          HG23      VAL  20  -3.835 -29.213   3.248
  167    H    ASP  21           H        ASP  21  -7.597 -28.890  -0.020
  168    HA   ASP  21           HA       ASP  21  -7.431 -31.760  -0.434
  169    HB2  ASP  21           HB2      ASP  21  -9.479 -30.513   0.269
  170    HB3  ASP  21           HB3      ASP  21  -9.528 -29.740  -1.316
  171    H    ALA  22           H        ALA  22  -5.913 -29.413  -2.201
  172    HA   ALA  22           HA       ALA  22  -6.450 -30.666  -4.857
  173    HB1  ALA  22           HB1      ALA  22  -6.395 -27.722  -4.050
  174    HB2  ALA  22           HB2      ALA  22  -6.291 -28.293  -5.727
  175    HB3  ALA  22           HB3      ALA  22  -7.744 -28.625  -4.763
  176    H    GLU  23           H        GLU  23  -4.691 -30.581  -6.325
  177    HA   GLU  23           HA       GLU  23  -2.017 -30.007  -5.111
  178    HB2  GLU  23           HB2      GLU  23  -2.963 -32.520  -6.545
  179    HB3  GLU  23           HB3      GLU  23  -1.293 -32.186  -6.071
  180    HG2  GLU  23           HG2      GLU  23  -2.022 -32.036  -3.681
  181    HG3  GLU  23           HG3      GLU  23  -3.650 -32.517  -4.171
  182    H    ASP  24           H        ASP  24  -4.005 -29.294  -7.755
  183    HA   ASP  24           HA       ASP  24  -1.661 -28.626  -9.478
  184    HB2  ASP  24           HB2      ASP  24  -2.744 -30.634 -10.402
  185    HB3  ASP  24           HB3      ASP  24  -4.330 -29.862 -10.285
  186    H    LYS  25           H        LYS  25  -1.975 -26.673 -10.683
  187    HA   LYS  25           HA       LYS  25  -3.189 -24.598  -9.349
  188    HB2  LYS  25           HB2      LYS  25  -2.803 -23.257 -11.347
  189    HB3  LYS  25           HB3      LYS  25  -1.439 -24.332 -11.039
  190    HG2  LYS  25           HG2      LYS  25  -2.364 -25.906 -12.790
  191    HG3  LYS  25           HG3      LYS  25  -3.639 -24.718 -13.122
  192    HD2  LYS  25           HD2      LYS  25  -1.935 -23.054 -13.774
  193    HD3  LYS  25           HD3      LYS  25  -0.653 -24.256 -13.467
  194    HE2  LYS  25           HE2      LYS  25  -1.712 -25.792 -15.110
  195    HE3  LYS  25           HE3      LYS  25  -2.984 -24.608 -15.409
  196    HZ1  LYS  25           HZ1      LYS  25  -1.284 -23.098 -16.278
  197    HZ2  LYS  25           HZ2      LYS  25  -0.104 -24.195 -15.997
  198    HZ3  LYS  25           HZ3      LYS  25  -1.260 -24.502 -17.101
  199    H    GLU  26           H        GLU  26  -4.812 -26.637 -11.857
  200    HA   GLU  26           HA       GLU  26  -7.058 -24.811 -12.120
  201    HB2  GLU  26           HB2      GLU  26  -6.638 -27.754 -12.805
  202    HB3  GLU  26           HB3      GLU  26  -8.152 -26.906 -13.100
  203    HG2  GLU  26           HG2      GLU  26  -7.059 -25.301 -14.572
  204    HG3  GLU  26           HG3      GLU  26  -5.475 -25.997 -14.228
  205    H    GLU  27           H        GLU  27  -6.340 -27.690 -10.140
  206    HA   GLU  27           HA       GLU  27  -8.965 -27.852  -8.930
  207    HB2  GLU  27           HB2      GLU  27  -6.277 -28.996  -8.048
  208    HB3  GLU  27           HB3      GLU  27  -7.852 -29.464  -7.411
  209    HG2  GLU  27           HG2      GLU  27  -6.924 -29.831 -10.296
  210    HG3  GLU  27           HG3      GLU  27  -6.930 -31.076  -9.057
  211    H    ARG  28           H        ARG  28  -5.867 -26.261  -8.130
  212    HA   ARG  28           HA       ARG  28  -6.734 -25.430  -5.490
  213    HB2  ARG  28           HB2      ARG  28  -4.400 -24.546  -7.259
  214    HB3  ARG  28           HB3      ARG  28  -4.686 -23.971  -5.607
  215    HG2  ARG  28           HG2      ARG  28  -4.778 -26.376  -4.863
  216    HG3  ARG  28           HG3      ARG  28  -4.222 -26.878  -6.436
  217    HD2  ARG  28           HD2      ARG  28  -2.058 -25.987  -6.092
  218    HD3  ARG  28           HD3      ARG  28  -2.619 -24.940  -4.772
  219    HE   ARG  28           HE       ARG  28  -3.043 -27.800  -4.317
  220   HH11  ARG  28          HH11      ARG  28  -0.623 -25.242  -3.733
  221   HH12  ARG  28          HH12      ARG  28  -0.319 -25.801  -2.103
  222   HH21  ARG  28          HH21      ARG  28  -2.565 -28.519  -2.327
  223   HH22  ARG  28          HH22      ARG  28  -1.335 -27.753  -1.330
  224    H    ALA  29           H        ALA  29  -7.064 -24.004  -8.735
  225    HA   ALA  29           HA       ALA  29  -8.084 -21.478  -7.774
  226    HB1  ALA  29           HB1      ALA  29  -8.950 -21.211 -10.026
  227    HB2  ALA  29           HB2      ALA  29  -7.302 -21.853 -10.122
  228    HB3  ALA  29           HB3      ALA  29  -8.696 -22.927 -10.388
  229    H    MET  30           H        MET  30  -9.539 -24.727  -8.461
  230    HA   MET  30           HA       MET  30 -12.213 -23.877  -7.826
  231    HB2  MET  30           HB2      MET  30 -10.958 -26.642  -7.784
  232    HB3  MET  30           HB3      MET  30 -12.664 -26.309  -7.506
  233    HG2  MET  30           HG2      MET  30 -11.163 -25.543 -10.026
  234    HG3  MET  30           HG3      MET  30 -12.139 -26.994  -9.823
  235    HE1  MET  30           HE1      MET  30 -12.333 -23.535 -11.456
  236    HE2  MET  30           HE2      MET  30 -13.663 -22.729 -10.614
  237    HE3  MET  30           HE3      MET  30 -12.146 -23.076  -9.759
  238    H    GLY  31           H        GLY  31  -9.569 -25.167  -5.767
  239    HA2  GLY  31           HA2      GLY  31 -10.939 -25.347  -3.331
  240    HA3  GLY  31           HA3      GLY  31  -9.249 -24.835  -3.502
  241    H    TRP  32           H        TRP  32  -9.229 -22.432  -4.613
  242    HA   TRP  32           HA       TRP  32 -10.133 -20.524  -2.818
  243    HB2  TRP  32           HB2      TRP  32  -9.333 -20.446  -5.725
  244    HB3  TRP  32           HB3      TRP  32 -10.107 -19.039  -5.028
  245    HD1  TRP  32           HD1      TRP  32  -6.806 -20.791  -5.131
  246    HE1  TRP  32           HE1      TRP  32  -5.058 -19.362  -3.929
  247    HE3  TRP  32           HE3      TRP  32  -9.924 -17.393  -2.903
  248    HZ2  TRP  32           HZ2      TRP  32  -5.030 -17.157  -2.042
  249    HZ3  TRP  32           HZ3      TRP  32  -9.007 -15.660  -1.385
  250    HH2  TRP  32           HH2      TRP  32  -6.566 -15.539  -0.944
  251    H    TYR  33           H        TYR  33 -11.682 -21.494  -5.951
  252    HA   TYR  33           HA       TYR  33 -13.848 -19.761  -5.848
  253    HB2  TYR  33           HB2      TYR  33 -13.217 -21.121  -7.815
  254    HB3  TYR  33           HB3      TYR  33 -13.756 -22.577  -6.994
  255    HD1  TYR  33           HD2      TYR  33 -16.227 -22.843  -6.369
  256    HD2  TYR  33           HD1      TYR  33 -14.779 -19.797  -9.054
  257    HE1  TYR  33           HE2      TYR  33 -18.523 -22.480  -7.169
  258    HE2  TYR  33           HE1      TYR  33 -17.049 -19.559 -10.000
  259    HH   TYR  33           HH       TYR  33 -19.884 -21.350  -8.701
  260    H    TYR  34           H        TYR  34 -13.667 -23.113  -4.457
  261    HA   TYR  34           HA       TYR  34 -16.423 -23.243  -3.842
  262    HB2  TYR  34           HB2      TYR  34 -14.073 -24.660  -2.522
  263    HB3  TYR  34           HB3      TYR  34 -15.759 -25.074  -2.273
  264    HD1  TYR  34           HD1      TYR  34 -16.839 -24.986  -5.108
  265    HD2  TYR  34           HD2      TYR  34 -13.200 -26.632  -3.462
  266    HE1  TYR  34           HE1      TYR  34 -16.743 -26.617  -6.955
  267    HE2  TYR  34           HE2      TYR  34 -13.116 -28.289  -5.290
  268    HH   TYR  34           HH       TYR  34 -14.146 -29.090  -7.226
  269    H    TYR  35           H        TYR  35 -13.623 -22.382  -1.647
  270    HA   TYR  35           HA       TYR  35 -15.537 -21.930   0.479
  271    HB2  TYR  35           HB2      TYR  35 -13.830 -21.727   1.873
  272    HB3  TYR  35           HB3      TYR  35 -12.907 -22.452   0.572
  273    HD1  TYR  35           HD1      TYR  35 -11.564 -20.923  -0.960
  274    HD2  TYR  35           HD2      TYR  35 -13.441 -19.492   2.645
  275    HE1  TYR  35           HE1      TYR  35 -10.163 -18.897  -1.052
  276    HE2  TYR  35           HE2      TYR  35 -12.056 -17.448   2.571
  277    HH   TYR  35           HH       TYR  35 -10.415 -16.278   1.434
  278    H    LEU  36           H        LEU  36 -13.990 -19.793  -1.954
  279    HA   LEU  36           HA       LEU  36 -14.772 -17.340  -0.770
  280    HB2  LEU  36           HB2      LEU  36 -13.091 -17.489  -2.541
  281    HB3  LEU  36           HB3      LEU  36 -14.297 -18.110  -3.677
  282    HG   LEU  36           HG       LEU  36 -15.508 -15.967  -3.617
  283   HD11  LEU  36          HD11      LEU  36 -13.247 -15.021  -1.793
  284   HD12  LEU  36          HD12      LEU  36 -14.449 -13.968  -2.567
  285   HD13  LEU  36          HD13      LEU  36 -14.969 -15.144  -1.359
  286   HD21  LEU  36          HD21      LEU  36 -12.533 -15.634  -4.186
  287   HD22  LEU  36          HD22      LEU  36 -13.720 -16.388  -5.271
  288   HD23  LEU  36          HD23      LEU  36 -13.868 -14.677  -4.869
  289    H    ASP  37           H        ASP  37 -16.393 -19.342  -3.324
  290    HA   ASP  37           HA       ASP  37 -18.656 -17.675  -3.653
  291    HB2  ASP  37           HB2      ASP  37 -18.032 -19.473  -5.214
  292    HB3  ASP  37           HB3      ASP  37 -18.383 -20.689  -3.981
  293    H    ASP  38           H        ASP  38 -18.052 -20.397  -1.393
  294    HA   ASP  38           HA       ASP  38 -20.630 -20.383  -0.162
  295    HB2  ASP  38           HB2      ASP  38 -19.057 -22.249   0.026
  296    HB3  ASP  38           HB3      ASP  38 -17.921 -21.235   0.920
  297    H    THR  39           H        THR  39 -17.883 -18.203   0.254
  298    HA   THR  39           HA       THR  39 -18.839 -17.249   2.882
  299    HB   THR  39           HB       THR  39 -16.445 -16.437   1.179
  300    HG1  THR  39           HG1      THR  39 -16.195 -18.479   1.898
  301   HG21  THR  39          HG21      THR  39 -16.901 -14.588   2.614
  302   HG22  THR  39          HG22      THR  39 -17.322 -15.628   3.980
  303   HG23  THR  39          HG23      THR  39 -15.635 -15.512   3.434
  304    H    LEU  40           H        LEU  40 -18.593 -16.129  -0.526
  305    HA   LEU  40           HA       LEU  40 -19.194 -13.412  -0.042
  306    HB2  LEU  40           HB2      LEU  40 -19.675 -15.167  -2.476
  307    HB3  LEU  40           HB3      LEU  40 -19.995 -13.434  -2.468
  308    HG   LEU  40           HG       LEU  40 -17.268 -14.682  -1.991
  309   HD11  LEU  40          HD11      LEU  40 -18.409 -13.297  -4.450
  310   HD12  LEU  40          HD12      LEU  40 -16.736 -13.860  -4.256
  311   HD13  LEU  40          HD13      LEU  40 -18.058 -15.030  -4.292
  312   HD21  LEU  40          HD21      LEU  40 -16.437 -12.353  -2.441
  313   HD22  LEU  40          HD22      LEU  40 -18.102 -11.788  -2.184
  314   HD23  LEU  40          HD23      LEU  40 -17.196 -12.621  -0.882
  315    H    GLU  41           H        GLU  41 -21.016 -12.369   0.476
  316    HA   GLU  41           HA       GLU  41 -23.510 -13.742   0.940
  317    HB2  GLU  41           HB2      GLU  41 -24.177 -11.618   1.897
  318    HB3  GLU  41           HB3      GLU  41 -22.516 -11.955   2.368
  319    HG2  GLU  41           HG2      GLU  41 -21.793 -10.453   0.388
  320    HG3  GLU  41           HG3      GLU  41 -23.477  -9.957   0.263
  321    H    PHE  42           H        PHE  42 -22.556 -13.507  -1.927
  322    HA   PHE  42           HA       PHE  42 -23.499 -11.453  -3.373
  323    HB2  PHE  42           HB2      PHE  42 -23.281 -12.784  -5.325
  324    HB3  PHE  42           HB3      PHE  42 -22.011 -13.195  -4.199
  325    HD1  PHE  42           HD2      PHE  42 -25.136 -14.374  -5.830
  326    HD2  PHE  42           HD1      PHE  42 -21.889 -15.457  -3.204
  327    HE1  PHE  42           HE2      PHE  42 -25.758 -16.761  -6.040
  328    HE2  PHE  42           HE1      PHE  42 -22.524 -17.838  -3.407
  329    HZ   PHE  42           HZ       PHE  42 -24.458 -18.502  -4.823
  330    HA   PRO  43           HA       PRO  43 -24.512 -10.731  -5.477
  331    HB2  PRO  43           HB2      PRO  43 -26.958  -9.008  -5.130
  332    HB3  PRO  43           HB3      PRO  43 -25.997  -9.316  -6.606
  333    HG2  PRO  43           HG2      PRO  43 -28.383 -10.555  -6.235
  334    HG3  PRO  43           HG3      PRO  43 -26.986 -11.478  -6.882
  335    HD2  PRO  43           HD2      PRO  43 -28.009 -11.382  -4.026
  336    HD3  PRO  43           HD3      PRO  43 -27.544 -12.804  -5.009
  337    H    PHE  44           H        PHE  44 -23.442  -8.729  -5.051
  338    HA   PHE  44           HA       PHE  44 -24.075  -7.163  -2.650
  339    HB2  PHE  44           HB2      PHE  44 -21.900  -7.228  -1.704
  340    HB3  PHE  44           HB3      PHE  44 -22.496  -8.865  -1.796
  341    HD1  PHE  44           HD1      PHE  44 -21.545 -10.456  -3.553
  342    HD2  PHE  44           HD2      PHE  44 -19.826  -6.588  -2.742
  343    HE1  PHE  44           HE1      PHE  44 -19.419 -11.181  -4.595
  344    HE2  PHE  44           HE2      PHE  44 -17.710  -7.309  -3.804
  345    HZ   PHE  44           HZ       PHE  44 -17.490  -9.615  -4.713
  346    H    MET  45           H        MET  45 -21.953  -5.313  -2.823
  347    HA   MET  45           HA       MET  45 -21.923  -4.572  -5.699
  348    HB2  MET  45           HB2      MET  45 -22.696  -2.435  -5.398
  349    HB3  MET  45           HB3      MET  45 -23.820  -3.406  -4.480
  350    HG2  MET  45           HG2      MET  45 -23.141  -2.532  -2.450
  351    HG3  MET  45           HG3      MET  45 -21.493  -2.231  -2.971
  352    HE1  MET  45           HE1      MET  45 -21.600   1.130  -4.875
  353    HE2  MET  45           HE2      MET  45 -20.626  -0.266  -4.390
  354    HE3  MET  45           HE3      MET  45 -21.799  -0.423  -5.707
  355    H    GLY  46           H        GLY  46 -20.455  -2.803  -6.222
  356    HA2  GLY  46           HA2      GLY  46 -18.211  -2.290  -4.410
  357    HA3  GLY  46           HA3      GLY  46 -17.846  -3.466  -5.685
  358    H    LYS  47           H        LYS  47 -16.307  -1.513  -5.813
  359    HA   LYS  47           HA       LYS  47 -17.295   0.125  -8.111
  360    HB2  LYS  47           HB2      LYS  47 -16.443   1.365  -5.976
  361    HB3  LYS  47           HB3      LYS  47 -14.851   0.753  -6.403
  362    HG2  LYS  47           HG2      LYS  47 -14.881   2.877  -7.401
  363    HG3  LYS  47           HG3      LYS  47 -15.305   1.818  -8.748
  364    HD2  LYS  47           HD2      LYS  47 -16.820   3.620  -8.895
  365    HD3  LYS  47           HD3      LYS  47 -17.757   2.304  -8.183
  366    HE2  LYS  47           HE2      LYS  47 -17.574   3.274  -5.966
  367    HE3  LYS  47           HE3      LYS  47 -16.419   4.488  -6.538
  368    HZ1  LYS  47           HZ1      LYS  47 -18.729   5.317  -6.314
  369    HZ2  LYS  47           HZ2      LYS  47 -18.137   5.515  -7.819
  370    HZ3  LYS  47           HZ3      LYS  47 -19.213   4.326  -7.531
  371    H    TRP  48           H        TRP  48 -16.534  -0.649  -9.993
  372    HA   TRP  48           HA       TRP  48 -14.227  -2.490 -10.085
  373    HB2  TRP  48           HB2      TRP  48 -16.259  -2.802 -11.517
  374    HB3  TRP  48           HB3      TRP  48 -15.899  -1.290 -12.324
  375    HD1  TRP  48           HD1      TRP  48 -12.600  -2.655 -12.081
  376    HE1  TRP  48           HE1      TRP  48 -11.897  -4.069 -14.034
  377    HE3  TRP  48           HE3      TRP  48 -17.219  -3.421 -14.172
  378    HZ2  TRP  48           HZ2      TRP  48 -13.170  -5.444 -16.253
  379    HZ3  TRP  48           HZ3      TRP  48 -17.428  -4.818 -16.213
  380    HH2  TRP  48           HH2      TRP  48 -15.405  -5.844 -17.244
  381    H    LYS  49           H        LYS  49 -12.345  -1.511  -9.723
  382    HA   LYS  49           HA       LYS  49 -11.767   1.271 -10.451
  383    HB2  LYS  49           HB2      LYS  49 -10.062  -0.989  -9.265
  384    HB3  LYS  49           HB3      LYS  49  -9.550   0.689  -9.418
  385    HG2  LYS  49           HG2      LYS  49 -11.817  -0.320  -7.649
  386    HG3  LYS  49           HG3      LYS  49 -10.198   0.171  -7.138
  387    HD2  LYS  49           HD2      LYS  49 -10.654   2.482  -8.077
  388    HD3  LYS  49           HD3      LYS  49 -12.302   1.939  -8.451
  389    HE2  LYS  49           HE2      LYS  49 -12.333   3.195  -6.414
  390    HE3  LYS  49           HE3      LYS  49 -12.740   1.499  -6.094
  391    HZ1  LYS  49           HZ1      LYS  49 -10.286   2.943  -5.365
  392    HZ2  LYS  49           HZ2      LYS  49 -11.317   2.063  -4.417
  393    HZ3  LYS  49           HZ3      LYS  49 -10.299   1.301  -5.435
  394    H    LYS  50           H        LYS  50 -12.429   0.443 -12.786
  395    HA   LYS  50           HA       LYS  50 -10.746  -1.438 -14.143
  396    HB2  LYS  50           HB2      LYS  50 -13.017  -0.894 -14.879
  397    HB3  LYS  50           HB3      LYS  50 -12.548   0.775 -15.235
  398    HG2  LYS  50           HG2      LYS  50 -11.050   0.074 -17.005
  399    HG3  LYS  50           HG3      LYS  50 -11.219  -1.629 -16.568
  400    HD2  LYS  50           HD2      LYS  50 -13.472   0.142 -17.629
  401    HD3  LYS  50           HD3      LYS  50 -12.489  -0.957 -18.610
  402    HE2  LYS  50           HE2      LYS  50 -13.248  -2.874 -17.180
  403    HE3  LYS  50           HE3      LYS  50 -14.312  -1.774 -16.299
  404    HZ1  LYS  50           HZ1      LYS  50 -15.510  -2.931 -18.023
  405    HZ2  LYS  50           HZ2      LYS  50 -15.471  -1.345 -18.408
  406    HZ3  LYS  50           HZ3      LYS  50 -14.501  -2.404 -19.189
  407    H    LYS  51           H        LYS  51  -8.647  -1.191 -14.609
  408    HA   LYS  51           HA       LYS  51  -7.320   1.393 -14.669
  409    HB2  LYS  51           HB2      LYS  51  -6.515  -1.390 -15.617
  410    HB3  LYS  51           HB3      LYS  51  -5.480   0.039 -15.801
  411    HG2  LYS  51           HG2      LYS  51  -5.532   0.413 -13.348
  412    HG3  LYS  51           HG3      LYS  51  -6.532  -1.039 -13.146
  413    HD2  LYS  51           HD2      LYS  51  -4.716  -2.425 -14.117
  414    HD3  LYS  51           HD3      LYS  51  -3.716  -0.968 -14.321
  415    HE2  LYS  51           HE2      LYS  51  -3.803  -0.572 -11.866
  416    HE3  LYS  51           HE3      LYS  51  -4.794  -2.023 -11.665
  417    HZ1  LYS  51           HZ1      LYS  51  -2.928  -3.332 -12.504
  418    HZ2  LYS  51           HZ2      LYS  51  -2.012  -1.989 -12.688
  419    HZ3  LYS  51           HZ3      LYS  51  -2.470  -2.468 -11.202
  420    H    SER  52           H        SER  52  -7.225   2.789 -16.366
  421    HA   SER  52           HA       SER  52  -8.767   2.457 -18.740
  422    HB2  SER  52           HB2      SER  52  -6.428   4.287 -18.105
  423    HB3  SER  52           HB3      SER  52  -7.634   4.557 -19.379
  424    HG   SER  52           HG       SER  52  -9.195   4.836 -17.810
  425    H    ARG  53           H        ARG  53  -7.980   2.150 -20.905
  426    HA   ARG  53           HA       ARG  53  -6.644  -0.181 -21.262
  427    HB2  ARG  53           HB2      ARG  53  -6.556   1.920 -23.464
  428    HB3  ARG  53           HB3      ARG  53  -6.565   0.171 -23.600
  429    HG2  ARG  53           HG2      ARG  53  -8.756   0.624 -24.145
  430    HG3  ARG  53           HG3      ARG  53  -8.916   0.349 -22.408
  431    HD2  ARG  53           HD2      ARG  53  -8.364   3.037 -22.437
  432    HD3  ARG  53           HD3      ARG  53  -9.116   2.887 -24.019
  433    HE   ARG  53           HE       ARG  53 -11.026   1.708 -22.757
  434   HH11  ARG  53          HH11      ARG  53  -9.266   4.540 -21.501
  435   HH12  ARG  53          HH12      ARG  53 -10.274   4.663 -20.076
  436   HH21  ARG  53          HH21      ARG  53 -12.526   2.156 -21.030
  437   HH22  ARG  53          HH22      ARG  53 -12.223   3.486 -19.944
  438    H    LYS  54           H        LYS  54  -4.671  -0.793 -20.764
  439    HA   LYS  54           HA       LYS  54  -2.450  -0.808 -20.336
  440    HB2  LYS  54           HB2      LYS  54  -2.419   0.293 -23.176
  441    HB3  LYS  54           HB3      LYS  54  -1.067  -0.500 -22.358
  442    HG2  LYS  54           HG2      LYS  54  -2.398  -2.590 -22.152
  443    HG3  LYS  54           HG3      LYS  54  -3.751  -1.809 -22.972
  444    HD2  LYS  54           HD2      LYS  54  -2.584  -3.183 -24.573
  445    HD3  LYS  54           HD3      LYS  54  -2.399  -1.488 -24.998
  446    HE2  LYS  54           HE2      LYS  54  -0.301  -2.590 -25.372
  447    HE3  LYS  54           HE3      LYS  54  -0.104  -1.489 -24.012
  448    HZ1  LYS  54           HZ1      LYS  54   0.914  -3.643 -23.598
  449    HZ2  LYS  54           HZ2      LYS  54  -0.290  -3.416 -22.527
  450    HZ3  LYS  54           HZ3      LYS  54  -0.498  -4.423 -23.801
  451    H    THR  55           H        THR  55  -3.526   1.495 -19.076
  452    HA   THR  55           HA       THR  55  -1.088   3.102 -19.005
  453    HB   THR  55           HB       THR  55  -2.675   4.074 -20.786
  454    HG1  THR  55           HG1      THR  55  -1.085   5.354 -20.017
  455   HG21  THR  55          HG21      THR  55  -4.462   5.528 -20.054
  456   HG22  THR  55          HG22      THR  55  -4.799   3.843 -19.644
  457   HG23  THR  55          HG23      THR  55  -4.271   4.981 -18.376
  458    H    SER  56           H        SER  56  -1.134   4.608 -17.097
  459    HA   SER  56           HA       SER  56  -1.699   3.014 -14.829
  460    HB2  SER  56           HB2      SER  56  -0.933   5.958 -14.895
  461    HB3  SER  56           HB3      SER  56  -0.592   4.779 -13.615
  462    HG   SER  56           HG       SER  56   1.221   5.143 -14.975
  463    H    THR  57           H        THR  57  -3.603   5.558 -16.347
  464    HA   THR  57           HA       THR  57  -5.020   6.565 -14.183
  465    HB   THR  57           HB       THR  57  -6.083   6.160 -16.994
  466    HG1  THR  57           HG1      THR  57  -4.880   7.939 -17.590
  467   HG21  THR  57          HG21      THR  57  -6.430   8.421 -14.971
  468   HG22  THR  57          HG22      THR  57  -7.008   8.461 -16.653
  469   HG23  THR  57          HG23      THR  57  -7.683   7.284 -15.528
  470    H    ILE  58           H        ILE  58  -7.170   6.150 -13.401
  471    HA   ILE  58           HA       ILE  58  -8.300   3.448 -13.924
  472    HB   ILE  58           HB       ILE  58  -7.902   4.909 -11.294
  473   HG12  ILE  58          HG12      ILE  58  -7.076   2.189 -12.393
  474   HG13  ILE  58          HG13      ILE  58  -6.032   3.561 -12.010
  475   HG21  ILE  58          HG21      ILE  58 -10.230   4.117 -11.273
  476   HG22  ILE  58          HG22      ILE  58  -9.694   2.497 -11.760
  477   HG23  ILE  58          HG23      ILE  58  -9.268   3.177 -10.169
  478   HD11  ILE  58          HD11      ILE  58  -7.511   1.769 -10.048
  479   HD12  ILE  58          HD12      ILE  58  -5.766   1.932 -10.279
  480   HD13  ILE  58          HD13      ILE  58  -6.697   3.279  -9.575
  481    H    GLU  59           H        GLU  59 -10.453   3.330 -14.024
  482    HA   GLU  59           HA       GLU  59 -12.117   5.798 -13.907
  483    HB2  GLU  59           HB2      GLU  59 -12.124   3.411 -15.800
  484    HB3  GLU  59           HB3      GLU  59 -13.585   4.373 -15.528
  485    HG2  GLU  59           HG2      GLU  59 -12.736   6.279 -16.547
  486    HG3  GLU  59           HG3      GLU  59 -11.061   5.877 -16.191
  487    H    GLU  60           H        GLU  60 -13.980   5.485 -12.644
  488    HA   GLU  60           HA       GLU  60 -13.899   3.044 -10.920
  489    HB2  GLU  60           HB2      GLU  60 -14.507   5.951 -10.219
  490    HB3  GLU  60           HB3      GLU  60 -14.649   4.579  -9.116
  491    HG2  GLU  60           HG2      GLU  60 -12.209   4.111  -9.433
  492    HG3  GLU  60           HG3      GLU  60 -12.082   5.551 -10.441
  493    H    LYS  61           H        LYS  61 -15.509   1.812 -11.745
  494    HA   LYS  61           HA       LYS  61 -18.089   3.131 -12.507
  495    HB2  LYS  61           HB2      LYS  61 -16.953   1.917 -14.275
  496    HB3  LYS  61           HB3      LYS  61 -16.811   0.476 -13.265
  497    HG2  LYS  61           HG2      LYS  61 -19.227   0.167 -13.247
  498    HG3  LYS  61           HG3      LYS  61 -19.479   1.676 -14.112
  499    HD2  LYS  61           HD2      LYS  61 -17.809  -0.626 -15.236
  500    HD3  LYS  61           HD3      LYS  61 -19.544  -0.555 -15.459
  501    HE2  LYS  61           HE2      LYS  61 -17.559   1.569 -16.394
  502    HE3  LYS  61           HE3      LYS  61 -18.309   0.336 -17.412
  503    HZ1  LYS  61           HZ1      LYS  61 -20.478   1.313 -16.912
  504    HZ2  LYS  61           HZ2      LYS  61 -19.794   2.462 -15.984
  505    HZ3  LYS  61           HZ3      LYS  61 -19.480   2.435 -17.592
  506    H    THR  62           H        THR  62 -19.690   2.982 -10.969
  507    HA   THR  62           HA       THR  62 -19.495   1.159  -8.751
  508    HB   THR  62           HB       THR  62 -21.962   2.661  -9.715
  509    HG1  THR  62           HG1      THR  62 -21.125   4.465  -8.965
  510   HG21  THR  62          HG21      THR  62 -22.430   2.829  -7.293
  511   HG22  THR  62          HG22      THR  62 -22.238   1.130  -7.756
  512   HG23  THR  62          HG23      THR  62 -20.913   1.975  -6.927
  513    H    VAL  63           H        VAL  63 -20.258  -0.881  -8.574
  514    HA   VAL  63           HA       VAL  63 -21.971  -1.980 -10.760
  515    HB   VAL  63           HB       VAL  63 -20.499  -3.922 -10.802
  516   HG11  VAL  63          HG11      VAL  63 -18.860  -3.059 -12.341
  517   HG12  VAL  63          HG12      VAL  63 -20.373  -2.165 -12.553
  518   HG13  VAL  63          HG13      VAL  63 -19.016  -1.429 -11.669
  519   HG21  VAL  63          HG21      VAL  63 -18.173  -3.855 -10.074
  520   HG22  VAL  63          HG22      VAL  63 -18.403  -2.237  -9.382
  521   HG23  VAL  63          HG23      VAL  63 -19.238  -3.642  -8.681
  522    H    GLU  64           H        GLU  64 -23.012  -3.935 -10.314
  523    HA   GLU  64           HA       GLU  64 -23.248  -4.686  -7.426
  524    HB2  GLU  64           HB2      GLU  64 -25.384  -3.976  -8.467
  525    HB3  GLU  64           HB3      GLU  64 -25.185  -5.204  -9.722
  526    HG2  GLU  64           HG2      GLU  64 -25.253  -6.975  -7.967
  527    HG3  GLU  64           HG3      GLU  64 -25.402  -5.728  -6.727
  528    H    VAL  65           H        VAL  65 -22.278  -6.621  -6.988
  529    HA   VAL  65           HA       VAL  65 -21.123  -8.178  -9.242
  530    HB   VAL  65           HB       VAL  65 -20.482  -8.335  -6.266
  531   HG11  VAL  65          HG11      VAL  65 -18.415  -9.454  -7.128
  532   HG12  VAL  65          HG12      VAL  65 -19.874 -10.338  -7.596
  533   HG13  VAL  65          HG13      VAL  65 -19.045  -9.304  -8.782
  534   HG21  VAL  65          HG21      VAL  65 -19.859  -6.083  -6.995
  535   HG22  VAL  65          HG22      VAL  65 -18.404  -7.062  -6.846
  536   HG23  VAL  65          HG23      VAL  65 -19.084  -6.734  -8.457
  537    H    LEU  66           H        LEU  66 -22.450  -9.762  -9.897
  538    HA   LEU  66           HA       LEU  66 -24.807 -10.420  -8.337
  539    HB2  LEU  66           HB2      LEU  66 -23.766 -11.119 -11.091
  540    HB3  LEU  66           HB3      LEU  66 -25.043 -12.094 -10.374
  541    HG   LEU  66           HG       LEU  66 -26.460 -10.098 -10.058
  542   HD11  LEU  66          HD11      LEU  66 -24.789  -8.299  -9.958
  543   HD12  LEU  66          HD12      LEU  66 -24.296  -8.628 -11.634
  544   HD13  LEU  66          HD13      LEU  66 -25.923  -8.005 -11.265
  545   HD21  LEU  66          HD21      LEU  66 -25.468 -10.553 -12.902
  546   HD22  LEU  66          HD22      LEU  66 -26.696 -11.513 -12.054
  547   HD23  LEU  66          HD23      LEU  66 -27.025  -9.821 -12.454
  548    H    GLY  67           H        GLY  67 -21.690 -12.039  -8.948
  549    HA2  GLY  67           HA2      GLY  67 -21.620 -13.783  -6.870
  550    HA3  GLY  67           HA3      GLY  67 -22.585 -14.641  -8.094
  551    H    MET  68           H        MET  68 -20.420 -15.928  -7.721
  552    HA   MET  68           HA       MET  68 -18.089 -15.119  -9.251
  553    HB2  MET  68           HB2      MET  68 -19.097 -17.885  -8.454
  554    HB3  MET  68           HB3      MET  68 -17.537 -17.537  -9.196
  555    HG2  MET  68           HG2      MET  68 -18.464 -16.549  -6.478
  556    HG3  MET  68           HG3      MET  68 -17.346 -17.873  -6.773
  557    HE1  MET  68           HE1      MET  68 -14.131 -16.091  -8.077
  558    HE2  MET  68           HE2      MET  68 -14.871 -17.632  -7.596
  559    HE3  MET  68           HE3      MET  68 -15.409 -16.799  -9.076
  560    H    ALA  69           H        ALA  69 -17.483 -15.821 -11.333
  561    HA   ALA  69           HA       ALA  69 -19.624 -16.181 -13.295
  562    HB1  ALA  69           HB1      ALA  69 -17.904 -15.890 -14.887
  563    HB2  ALA  69           HB2      ALA  69 -17.359 -14.904 -13.540
  564    HB3  ALA  69           HB3      ALA  69 -16.669 -16.536 -13.793
  565    HA   PRO  70           HA       PRO  70 -19.715 -20.611 -13.785
  566    HB2  PRO  70           HB2      PRO  70 -18.074 -20.412 -16.319
  567    HB3  PRO  70           HB3      PRO  70 -19.538 -21.398 -16.000
  568    HG2  PRO  70           HG2      PRO  70 -19.773 -19.067 -17.340
  569    HG3  PRO  70           HG3      PRO  70 -20.939 -19.444 -16.027
  570    HD2  PRO  70           HD2      PRO  70 -18.481 -17.693 -15.924
  571    HD3  PRO  70           HD3      PRO  70 -20.117 -17.361 -15.269
  572    H    ASP  71           H        ASP  71 -18.626 -22.347 -13.036
  573    HA   ASP  71           HA       ASP  71 -16.193 -22.209 -11.752
  574    HB2  ASP  71           HB2      ASP  71 -17.480 -24.669 -13.022
  575    HB3  ASP  71           HB3      ASP  71 -16.209 -24.697 -11.810
  576    H    ASP  72           H        ASP  72 -16.886 -23.196 -15.091
  577    HA   ASP  72           HA       ASP  72 -14.346 -24.309 -15.741
  578    HB2  ASP  72           HB2      ASP  72 -16.371 -24.770 -17.028
  579    HB3  ASP  72           HB3      ASP  72 -16.504 -23.072 -17.492
  580    H    GLU  73           H        GLU  73 -15.559 -20.941 -15.870
  581    HA   GLU  73           HA       GLU  73 -13.169 -19.989 -17.288
  582    HB2  GLU  73           HB2      GLU  73 -15.457 -18.569 -15.847
  583    HB3  GLU  73           HB3      GLU  73 -14.074 -17.709 -16.511
  584    HG2  GLU  73           HG2      GLU  73 -16.002 -19.439 -18.110
  585    HG3  GLU  73           HG3      GLU  73 -16.023 -17.681 -18.021
  586    H    CYS  74           H        CYS  74 -14.363 -20.355 -13.971
  587    HA   CYS  74           HA       CYS  74 -12.226 -18.828 -12.833
  588    HB2  CYS  74           HB2      CYS  74 -14.282 -20.630 -11.507
  589    HB3  CYS  74           HB3      CYS  74 -13.195 -19.493 -10.680
  590    HG   CYS  74           HG       CYS  74 -15.611 -18.950 -12.858
  591    H    LEU  75           H        LEU  75 -11.642 -21.496 -14.342
  592    HA   LEU  75           HA       LEU  75 -10.215 -23.121 -12.368
  593    HB2  LEU  75           HB2      LEU  75 -10.250 -23.051 -15.417
  594    HB3  LEU  75           HB3      LEU  75  -9.238 -24.164 -14.509
  595    HG   LEU  75           HG       LEU  75 -12.266 -24.109 -14.273
  596   HD11  LEU  75          HD11      LEU  75 -10.470 -25.973 -15.881
  597   HD12  LEU  75          HD12      LEU  75 -12.230 -26.134 -15.675
  598   HD13  LEU  75          HD13      LEU  75 -11.565 -24.749 -16.551
  599   HD21  LEU  75          HD21      LEU  75 -12.022 -26.280 -13.191
  600   HD22  LEU  75          HD22      LEU  75 -10.264 -26.249 -13.428
  601   HD23  LEU  75          HD23      LEU  75 -11.031 -25.119 -12.307
  602    H    LYS  76           H        LYS  76  -9.611 -20.089 -13.670
  603    HA   LYS  76           HA       LYS  76  -6.664 -20.348 -13.350
  604    HB2  LYS  76           HB2      LYS  76  -6.541 -18.869 -15.458
  605    HB3  LYS  76           HB3      LYS  76  -6.874 -20.589 -15.663
  606    HG2  LYS  76           HG2      LYS  76  -9.220 -20.198 -16.053
  607    HG3  LYS  76           HG3      LYS  76  -9.068 -18.489 -15.600
  608    HD2  LYS  76           HD2      LYS  76  -7.864 -17.972 -17.607
  609    HD3  LYS  76           HD3      LYS  76  -7.586 -19.681 -17.967
  610    HE2  LYS  76           HE2      LYS  76  -9.343 -18.716 -19.416
  611    HE3  LYS  76           HE3      LYS  76  -9.926 -20.068 -18.443
  612    HZ1  LYS  76           HZ1      LYS  76 -11.504 -18.224 -18.475
  613    HZ2  LYS  76           HZ2      LYS  76 -10.979 -18.502 -16.955
  614    HZ3  LYS  76           HZ3      LYS  76 -10.396 -17.211 -17.811
  615    H    ASP  77           H        ASP  77  -9.551 -18.344 -12.909
  616    HA   ASP  77           HA       ASP  77  -7.998 -16.455 -11.325
  617    HB2  ASP  77           HB2      ASP  77  -7.643 -15.501 -13.574
  618    HB3  ASP  77           HB3      ASP  77  -9.365 -15.566 -13.892
  619    H    MET  78           H        MET  78  -9.551 -14.955 -10.180
  620    HA   MET  78           HA       MET  78 -12.128 -16.347  -9.674
  621    HB2  MET  78           HB2      MET  78 -10.683 -14.131  -8.183
  622    HB3  MET  78           HB3      MET  78 -12.292 -14.716  -7.766
  623    HG2  MET  78           HG2      MET  78  -9.749 -16.387  -7.766
  624    HG3  MET  78           HG3      MET  78 -10.566 -15.721  -6.362
  625    HE1  MET  78           HE1      MET  78  -9.860 -18.867  -8.120
  626    HE2  MET  78           HE2      MET  78 -11.403 -19.699  -8.401
  627    HE3  MET  78           HE3      MET  78 -10.967 -18.298  -9.390
  628    H    TYR  79           H        TYR  79 -13.054 -15.834 -11.718
  629    HA   TYR  79           HA       TYR  79 -13.621 -13.046 -12.413
  630    HB2  TYR  79           HB2      TYR  79 -14.713 -15.692 -13.417
  631    HB3  TYR  79           HB3      TYR  79 -15.129 -14.125 -14.094
  632    HD1  TYR  79           HD1      TYR  79 -12.572 -16.737 -13.815
  633    HD2  TYR  79           HD2      TYR  79 -13.534 -12.897 -15.527
  634    HE1  TYR  79           HE1      TYR  79 -10.710 -16.979 -15.396
  635    HE2  TYR  79           HE2      TYR  79 -11.725 -13.174 -17.188
  636    HH   TYR  79           HH       TYR  79  -9.987 -14.573 -17.957
  637    H    VAL  80           H        VAL  80 -15.619 -12.012 -12.133
  638    HA   VAL  80           HA       VAL  80 -17.812 -13.484 -10.750
  639    HB   VAL  80           HB       VAL  80 -18.262 -11.328  -9.557
  640   HG11  VAL  80          HG11      VAL  80 -16.616 -11.708  -7.772
  641   HG12  VAL  80          HG12      VAL  80 -17.272 -13.222  -8.392
  642   HG13  VAL  80          HG13      VAL  80 -15.640 -12.712  -8.868
  643   HG21  VAL  80          HG21      VAL  80 -16.848  -9.785 -10.923
  644   HG22  VAL  80          HG22      VAL  80 -16.476  -9.703  -9.197
  645   HG23  VAL  80          HG23      VAL  80 -15.391 -10.580 -10.287
  646    H    GLU  81           H        GLU  81 -19.889 -12.877 -11.324
  647    HA   GLU  81           HA       GLU  81 -20.226 -11.525 -13.944
  648    HB2  GLU  81           HB2      GLU  81 -22.217 -12.743 -11.969
  649    HB3  GLU  81           HB3      GLU  81 -22.647 -11.964 -13.502
  650    HG2  GLU  81           HG2      GLU  81 -21.180 -13.652 -14.686
  651    HG3  GLU  81           HG3      GLU  81 -20.987 -14.486 -13.142
  652    H    VAL  82           H        VAL  82 -21.064  -9.423 -14.111
  653    HA   VAL  82           HA       VAL  82 -21.532  -7.942 -11.604
  654    HB   VAL  82           HB       VAL  82 -19.099  -8.053 -12.021
  655   HG11  VAL  82          HG11      VAL  82 -18.992  -8.288 -14.451
  656   HG12  VAL  82          HG12      VAL  82 -19.653  -6.652 -14.671
  657   HG13  VAL  82          HG13      VAL  82 -18.074  -6.874 -13.928
  658   HG21  VAL  82          HG21      VAL  82 -20.200  -5.294 -12.535
  659   HG22  VAL  82          HG22      VAL  82 -20.048  -6.101 -10.945
  660   HG23  VAL  82          HG23      VAL  82 -18.597  -5.703 -11.882
  661    H    ALA  83           H        ALA  83 -22.907  -6.209 -11.879
  662    HA   ALA  83           HA       ALA  83 -23.911  -5.667 -14.649
  663    HB1  ALA  83           HB1      ALA  83 -25.351  -5.396 -11.983
  664    HB2  ALA  83           HB2      ALA  83 -26.011  -4.988 -13.579
  665    HB3  ALA  83           HB3      ALA  83 -25.616  -6.673 -13.192
  666    H    ASP  84           H        ASP  84 -23.815  -3.613 -15.366
  667    HA   ASP  84           HA       ASP  84 -22.181  -1.678 -13.908
  668    HB2  ASP  84           HB2      ASP  84 -21.855  -2.145 -16.307
  669    HB3  ASP  84           HB3      ASP  84 -23.512  -1.624 -16.632
  670    H    ILE  85           H        ILE  85 -23.968  -1.686 -12.183
  671    HA   ILE  85           HA       ILE  85 -26.425  -0.332 -12.647
  672    HB   ILE  85           HB       ILE  85 -26.587  -0.036 -10.261
  673   HG12  ILE  85          HG12      ILE  85 -23.706  -0.965 -10.074
  674   HG13  ILE  85          HG13      ILE  85 -24.258   0.679  -9.780
  675   HG21  ILE  85          HG21      ILE  85 -25.350  -2.763 -10.831
  676   HG22  ILE  85          HG22      ILE  85 -26.618  -2.354  -9.655
  677   HG23  ILE  85          HG23      ILE  85 -26.967  -2.272 -11.378
  678   HD11  ILE  85          HD11      ILE  85 -23.912  -0.445  -7.658
  679   HD12  ILE  85          HD12      ILE  85 -25.646  -0.133  -7.876
  680   HD13  ILE  85          HD13      ILE  85 -24.982  -1.766  -8.116
  681    H    GLY  86           H        GLY  86 -23.316   0.974 -12.842
  682    HA2  GLY  86           HA2      GLY  86 -24.152   3.745 -12.199
  683    HA3  GLY  86           HA3      GLY  86 -22.515   3.154 -12.509
  684    H    GLY  87           H        GLY  87 -24.138   1.673 -14.958
  685    HA2  GLY  87           HA2      GLY  87 -24.171   4.007 -16.809
  686    HA3  GLY  87           HA3      GLY  87 -22.898   2.788 -16.942
  687    H    LYS  88           H        LYS  88 -25.426   0.863 -16.156
  688    HA   LYS  88           HA       LYS  88 -26.872   0.969 -18.744
  689    HB2  LYS  88           HB2      LYS  88 -25.867  -1.695 -17.640
  690    HB3  LYS  88           HB3      LYS  88 -26.722  -1.412 -19.151
  691    HG2  LYS  88           HG2      LYS  88 -23.921  -0.514 -18.532
  692    HG3  LYS  88           HG3      LYS  88 -24.338  -1.990 -19.377
  693    HD2  LYS  88           HD2      LYS  88 -25.133  -0.870 -21.284
  694    HD3  LYS  88           HD3      LYS  88 -25.270   0.689 -20.473
  695    HE2  LYS  88           HE2      LYS  88 -22.677  -0.821 -20.961
  696    HE3  LYS  88           HE3      LYS  88 -23.275   0.513 -21.965
  697    HZ1  LYS  88           HZ1      LYS  88 -23.196   1.890 -19.900
  698    HZ2  LYS  88           HZ2      LYS  88 -22.400   0.682 -19.126
  699    HZ3  LYS  88           HZ3      LYS  88 -21.715   1.407 -20.431
  700    H    ASP  89           H        ASP  89 -26.451  -0.514 -15.557
  701    HA   ASP  89           HA       ASP  89 -27.679  -1.363 -13.982
  702    HB2  ASP  89           HB2      ASP  89 -28.647   0.863 -13.814
  703    HB3  ASP  89           HB3      ASP  89 -29.882   0.447 -15.004
  704    H    ASP  90           H        ASP  90 -29.127  -1.651 -17.147
  705    HA   ASP  90           HA       ASP  90 -30.799  -3.940 -16.334
  706    HB2  ASP  90           HB2      ASP  90 -31.704  -1.923 -17.507
  707    HB3  ASP  90           HB3      ASP  90 -30.664  -2.300 -18.882
  708    H    ASP  91           H        ASP  91 -27.670  -3.785 -17.215
  709    HA   ASP  91           HA       ASP  91 -27.802  -6.324 -18.728
  710    HB2  ASP  91           HB2      ASP  91 -27.486  -4.333 -20.326
  711    HB3  ASP  91           HB3      ASP  91 -25.886  -4.158 -19.584
  712    H    VAL  92           H        VAL  92 -25.704  -7.408 -18.821
  713    HA   VAL  92           HA       VAL  92 -24.133  -7.064 -16.314
  714    HB   VAL  92           HB       VAL  92 -25.397  -9.642 -17.332
  715   HG11  VAL  92          HG11      VAL  92 -23.372 -10.033 -15.946
  716   HG12  VAL  92          HG12      VAL  92 -24.099  -9.076 -14.634
  717   HG13  VAL  92          HG13      VAL  92 -24.833 -10.605 -15.163
  718   HG21  VAL  92          HG21      VAL  92 -26.909  -9.505 -15.332
  719   HG22  VAL  92          HG22      VAL  92 -26.348  -7.840 -15.071
  720   HG23  VAL  92          HG23      VAL  92 -27.241  -8.275 -16.544
  721    H    TYR  93           H        TYR  93 -22.095  -8.003 -16.357
  722    HA   TYR  93           HA       TYR  93 -20.915  -9.031 -18.870
  723    HB2  TYR  93           HB2      TYR  93 -19.751  -6.785 -17.164
  724    HB3  TYR  93           HB3      TYR  93 -19.063  -7.445 -18.637
  725    HD1  TYR  93           HD2      TYR  93 -20.184  -7.024 -20.863
  726    HD2  TYR  93           HD1      TYR  93 -21.415  -5.041 -17.231
  727    HE1  TYR  93           HE2      TYR  93 -21.340  -5.298 -22.206
  728    HE2  TYR  93           HE1      TYR  93 -22.572  -3.308 -18.566
  729    HH   TYR  93           HH       TYR  93 -22.610  -3.357 -22.166
  730    H    THR  94           H        THR  94 -18.319  -9.257 -17.946
  731    HA   THR  94           HA       THR  94 -18.438 -10.602 -15.301
  732    HB   THR  94           HB       THR  94 -16.821 -11.545 -17.700
  733    HG1  THR  94           HG1      THR  94 -19.023 -11.924 -18.016
  734   HG21  THR  94          HG21      THR  94 -15.823 -12.177 -15.520
  735   HG22  THR  94          HG22      THR  94 -17.372 -12.884 -15.013
  736   HG23  THR  94          HG23      THR  94 -16.460 -13.589 -16.368
  737    H    ALA  95           H        ALA  95 -16.568 -10.239 -14.036
  738    HA   ALA  95           HA       ALA  95 -14.417  -8.529 -15.139
  739    HB1  ALA  95           HB1      ALA  95 -15.894  -6.897 -14.107
  740    HB2  ALA  95           HB2      ALA  95 -16.026  -7.879 -12.624
  741    HB3  ALA  95           HB3      ALA  95 -14.490  -7.104 -13.064
  742    H    LYS  96           H        LYS  96 -12.566  -8.468 -13.712
  743    HA   LYS  96           HA       LYS  96 -12.038 -11.051 -12.365
  744    HB2  LYS  96           HB2      LYS  96  -9.767  -9.769 -11.980
  745    HB3  LYS  96           HB3      LYS  96 -10.114 -10.542 -13.510
  746    HG2  LYS  96           HG2      LYS  96 -10.836  -7.636 -13.252
  747    HG3  LYS  96           HG3      LYS  96  -9.127  -8.071 -13.361
  748    HD2  LYS  96           HD2      LYS  96  -9.341  -9.002 -15.507
  749    HD3  LYS  96           HD3      LYS  96 -11.083  -9.167 -15.389
  750    HE2  LYS  96           HE2      LYS  96 -10.468  -7.399 -16.943
  751    HE3  LYS  96           HE3      LYS  96 -11.427  -6.768 -15.609
  752    HZ1  LYS  96           HZ1      LYS  96  -9.594  -5.624 -14.767
  753    HZ2  LYS  96           HZ2      LYS  96  -8.481  -6.571 -15.559
  754    HZ3  LYS  96           HZ3      LYS  96  -9.385  -5.484 -16.362
  755    H    LEU  97           H        LEU  97 -12.361 -11.259 -10.184
  756    HA   LEU  97           HA       LEU  97 -13.399  -9.169  -8.573
  757    HB2  LEU  97           HB2      LEU  97 -13.613 -11.588  -8.083
  758    HB3  LEU  97           HB3      LEU  97 -11.875 -11.689  -7.790
  759    HG   LEU  97           HG       LEU  97 -12.091 -10.203  -5.824
  760   HD11  LEU  97          HD11      LEU  97 -14.388  -9.678  -4.942
  761   HD12  LEU  97          HD12      LEU  97 -14.017  -8.811  -6.428
  762   HD13  LEU  97          HD13      LEU  97 -15.079 -10.237  -6.476
  763   HD21  LEU  97          HD21      LEU  97 -13.236 -11.810  -4.386
  764   HD22  LEU  97          HD22      LEU  97 -14.065 -12.517  -5.792
  765   HD23  LEU  97          HD23      LEU  97 -12.300 -12.663  -5.615
  766    H    SER  98           H        SER  98 -10.079 -10.168  -9.288
  767    HA   SER  98           HA       SER  98  -8.545  -8.761  -7.500
  768    HB2  SER  98           HB2      SER  98  -7.980  -9.050 -10.462
  769    HB3  SER  98           HB3      SER  98  -6.823  -9.073  -9.120
  770    HG   SER  98           HG       SER  98  -7.452 -11.180 -10.026
  771    H    ASP  99           H        ASP  99 -10.633  -7.353  -9.945
  772    HA   ASP  99           HA       ASP  99  -9.119  -4.802  -9.915
  773    HB2  ASP  99           HB2      ASP  99  -9.405  -6.263 -11.996
  774    HB3  ASP  99           HB3      ASP  99 -11.110  -5.784 -11.973
  775    H    ILE 100           H        ILE 100 -11.392  -5.968  -8.157
  776    HA   ILE 100           HA       ILE 100 -13.186  -3.585  -8.252
  777    HB   ILE 100           HB       ILE 100 -13.734  -6.510  -8.108
  778   HG12  ILE 100          HG12      ILE 100 -15.378  -4.130  -9.063
  779   HG13  ILE 100          HG13      ILE 100 -14.190  -4.988 -10.068
  780   HG21  ILE 100          HG21      ILE 100 -14.576  -5.880  -5.867
  781   HG22  ILE 100          HG22      ILE 100 -15.610  -4.638  -6.619
  782   HG23  ILE 100          HG23      ILE 100 -15.858  -6.364  -6.951
  783   HD11  ILE 100          HD11      ILE 100 -15.561  -7.086  -9.734
  784   HD12  ILE 100          HD12      ILE 100 -16.798  -6.055  -8.960
  785   HD13  ILE 100          HD13      ILE 100 -16.357  -5.786 -10.653
  786    H    GLU 101           H        GLU 101 -13.952  -2.819  -6.384
  787    HA   GLU 101           HA       GLU 101 -12.618  -3.597  -3.829
  788    HB2  GLU 101           HB2      GLU 101 -11.815  -1.404  -4.548
  789    HB3  GLU 101           HB3      GLU 101 -13.477  -0.832  -4.802
  790    HG2  GLU 101           HG2      GLU 101 -13.960  -0.871  -2.453
  791    HG3  GLU 101           HG3      GLU 101 -12.541  -1.860  -2.100
  792    H    ALA 102           H        ALA 102 -14.102  -4.455  -2.462
  793    HA   ALA 102           HA       ALA 102 -16.924  -4.493  -3.226
  794    HB1  ALA 102           HB1      ALA 102 -17.176  -5.970  -1.302
  795    HB2  ALA 102           HB2      ALA 102 -15.765  -6.460  -2.258
  796    HB3  ALA 102           HB3      ALA 102 -15.538  -5.577  -0.730
  797    H    ILE 103           H        ILE 103 -18.553  -3.391  -2.283
  798    HA   ILE 103           HA       ILE 103 -17.974  -1.465  -0.075
  799    HB   ILE 103           HB       ILE 103 -19.416  -1.120  -2.714
  800   HG12  ILE 103          HG12      ILE 103 -17.189   0.520  -1.415
  801   HG13  ILE 103          HG13      ILE 103 -16.916  -0.751  -2.604
  802   HG21  ILE 103          HG21      ILE 103 -20.147   1.124  -1.995
  803   HG22  ILE 103          HG22      ILE 103 -20.875  -0.121  -1.008
  804   HG23  ILE 103          HG23      ILE 103 -19.503   0.818  -0.365
  805   HD11  ILE 103          HD11      ILE 103 -18.386   1.849  -3.118
  806   HD12  ILE 103          HD12      ILE 103 -16.807   1.337  -3.724
  807   HD13  ILE 103          HD13      ILE 103 -18.274   0.484  -4.262
  808    H    ASP 104           H        ASP 104 -19.546  -1.256   1.463
  809    HA   ASP 104           HA       ASP 104 -21.246  -1.773   2.797
  810    HB2  ASP 104           HB2      ASP 104 -22.421  -0.552   0.991
  811    HB3  ASP 104           HB3      ASP 104 -22.855  -2.090   0.247
  812    H    VAL 105           H        VAL 105 -19.536  -4.015   2.002
  813    HA   VAL 105           HA       VAL 105 -21.324  -6.363   2.199
  814    HB   VAL 105           HB       VAL 105 -19.096  -7.584   2.102
  815   HG11  VAL 105          HG11      VAL 105 -20.635  -7.482   0.284
  816   HG12  VAL 105          HG12      VAL 105 -19.966  -5.923  -0.270
  817   HG13  VAL 105          HG13      VAL 105 -18.972  -7.403  -0.322
  818   HG21  VAL 105          HG21      VAL 105 -17.150  -6.540   1.259
  819   HG22  VAL 105          HG22      VAL 105 -17.959  -4.967   1.072
  820   HG23  VAL 105          HG23      VAL 105 -17.646  -5.636   2.695
  821    H    ASP 106           H        ASP 106 -20.707  -8.046   3.673
  822    HA   ASP 106           HA       ASP 106 -20.463  -7.180   6.466
  823    HB2  ASP 106           HB2      ASP 106 -21.896  -9.101   5.805
  824    HB3  ASP 106           HB3      ASP 106 -20.466  -9.940   5.181
  825    H    ASP 107           H        ASP 107 -18.761  -8.014   7.837
  826    HA   ASP 107           HA       ASP 107 -16.126  -7.463   6.978
  827    HB2  ASP 107           HB2      ASP 107 -16.839  -7.355   9.312
  828    HB3  ASP 107           HB3      ASP 107 -17.153  -9.092   9.330
  829    H    ASP 108           H        ASP 108 -17.841 -10.672   7.185
  830    HA   ASP 108           HA       ASP 108 -15.367 -12.094   6.764
  831    HB2  ASP 108           HB2      ASP 108 -17.550 -12.969   7.826
  832    HB3  ASP 108           HB3      ASP 108 -18.130 -13.192   6.165
  833    H    THR 109           H        THR 109 -17.933 -10.883   4.616
  834    HA   THR 109           HA       THR 109 -17.019 -12.092   2.174
  835    HB   THR 109           HB       THR 109 -18.485  -9.478   2.669
  836    HG1  THR 109           HG1      THR 109 -20.297 -10.509   2.717
  837   HG21  THR 109          HG21      THR 109 -18.589 -11.327   0.257
  838   HG22  THR 109          HG22      THR 109 -19.490  -9.816   0.456
  839   HG23  THR 109          HG23      THR 109 -17.731  -9.775   0.311
  840    H    GLN 110           H        GLN 110 -16.482  -8.835   3.716
  841    HA   GLN 110           HA       GLN 110 -14.788  -7.868   1.699
  842    HB2  GLN 110           HB2      GLN 110 -15.938  -6.724   3.807
  843    HB3  GLN 110           HB3      GLN 110 -14.400  -7.044   4.592
  844    HG2  GLN 110           HG2      GLN 110 -14.830  -5.472   2.002
  845    HG3  GLN 110           HG3      GLN 110 -14.580  -4.764   3.589
  846   HE21  GLN 110          HE22      GLN 110 -12.973  -5.637   0.730
  847   HE22  GLN 110          HE21      GLN 110 -11.348  -5.681   1.357
  848    H    GLU 111           H        GLU 111 -13.952  -9.638   4.746
  849    HA   GLU 111           HA       GLU 111 -11.149  -9.532   4.378
  850    HB2  GLU 111           HB2      GLU 111 -12.987 -11.432   5.876
  851    HB3  GLU 111           HB3      GLU 111 -11.239 -11.636   5.890
  852    HG2  GLU 111           HG2      GLU 111 -12.592  -9.036   6.743
  853    HG3  GLU 111           HG3      GLU 111 -12.220 -10.356   7.847
  854    H    ALA 112           H        ALA 112 -13.562 -11.862   3.042
  855    HA   ALA 112           HA       ALA 112 -11.586 -13.720   2.090
  856    HB1  ALA 112           HB1      ALA 112 -13.995 -14.271   2.302
  857    HB2  ALA 112           HB2      ALA 112 -14.376 -13.143   0.978
  858    HB3  ALA 112           HB3      ALA 112 -13.382 -14.582   0.670
  859    H    ILE 113           H        ILE 113 -13.186 -10.873   0.621
  860    HA   ILE 113           HA       ILE 113 -11.902 -11.134  -1.937
  861    HB   ILE 113           HB       ILE 113 -13.274  -8.795  -0.547
  862   HG12  ILE 113          HG12      ILE 113 -14.314 -10.681  -2.719
  863   HG13  ILE 113          HG13      ILE 113 -14.641 -10.909  -1.014
  864   HG21  ILE 113          HG21      ILE 113 -11.809  -7.916  -2.316
  865   HG22  ILE 113          HG22      ILE 113 -12.460  -9.087  -3.477
  866   HG23  ILE 113          HG23      ILE 113 -13.485  -7.789  -2.826
  867   HD11  ILE 113          HD11      ILE 113 -15.706  -8.633  -0.947
  868   HD12  ILE 113          HD12      ILE 113 -15.596  -8.626  -2.736
  869   HD13  ILE 113          HD13      ILE 113 -16.548  -9.859  -1.908
  870    H    ALA 114           H        ALA 114 -11.141  -9.222   1.027
  871    HA   ALA 114           HA       ALA 114  -8.857  -7.888   0.018
  872    HB1  ALA 114           HB1      ALA 114  -9.981  -7.303   2.151
  873    HB2  ALA 114           HB2      ALA 114  -9.424  -8.836   2.862
  874    HB3  ALA 114           HB3      ALA 114  -8.247  -7.600   2.378
  875    H    ASP 115           H        ASP 115  -9.200 -11.127   1.573
  876    HA   ASP 115           HA       ASP 115  -6.378 -11.616   1.616
  877    HB2  ASP 115           HB2      ASP 115  -8.022 -12.794   3.061
  878    HB3  ASP 115           HB3      ASP 115  -8.626 -13.656   1.637
  879    H    TRP 116           H        TRP 116  -8.917 -12.319  -0.835
  880    HA   TRP 116           HA       TRP 116  -7.210 -13.751  -2.640
  881    HB2  TRP 116           HB2      TRP 116  -9.578 -13.768  -3.038
  882    HB3  TRP 116           HB3      TRP 116  -9.660 -12.012  -3.090
  883    HD1  TRP 116           HD1      TRP 116  -9.491 -10.911  -5.388
  884    HE1  TRP 116           HE1      TRP 116  -8.671 -11.569  -7.734
  885    HE3  TRP 116           HE3      TRP 116  -7.748 -15.613  -4.367
  886    HZ2  TRP 116           HZ2      TRP 116  -7.499 -13.865  -9.008
  887    HZ3  TRP 116           HZ3      TRP 116  -6.772 -17.010  -6.161
  888    HH2  TRP 116           HH2      TRP 116  -6.630 -16.143  -8.484
  889    H    LEU 117           H        LEU 117  -7.880 -10.220  -2.249
  890    HA   LEU 117           HA       LEU 117  -6.209  -9.403  -4.409
  891    HB2  LEU 117           HB2      LEU 117  -7.127  -7.984  -1.880
  892    HB3  LEU 117           HB3      LEU 117  -6.189  -7.179  -3.125
  893    HG   LEU 117           HG       LEU 117  -8.805  -8.579  -3.809
  894   HD11  LEU 117          HD11      LEU 117  -9.928  -6.391  -3.583
  895   HD12  LEU 117          HD12      LEU 117  -9.327  -6.991  -2.032
  896   HD13  LEU 117          HD13      LEU 117  -8.445  -5.700  -2.881
  897   HD21  LEU 117          HD21      LEU 117  -7.308  -6.276  -5.128
  898   HD22  LEU 117          HD22      LEU 117  -7.319  -7.957  -5.694
  899   HD23  LEU 117          HD23      LEU 117  -8.820  -7.017  -5.693
  900    H    TYR 118           H        TYR 118  -5.468  -9.872  -0.905
  901    HA   TYR 118           HA       TYR 118  -2.745  -9.064  -1.096
  902    HB2  TYR 118           HB2      TYR 118  -3.961 -11.147   0.757
  903    HB3  TYR 118           HB3      TYR 118  -2.409 -10.358   0.971
  904    HD1  TYR 118           HD2      TYR 118  -3.544  -7.452   0.180
  905    HD2  TYR 118           HD1      TYR 118  -4.736 -10.545   2.954
  906    HE1  TYR 118           HE2      TYR 118  -4.633  -5.758   1.598
  907    HE2  TYR 118           HE1      TYR 118  -5.832  -8.851   4.376
  908    HH   TYR 118           HH       TYR 118  -6.329  -6.587   4.659
  909    H    TRP 119           H        TRP 119  -4.254 -12.336  -1.494
  910    HA   TRP 119           HA       TRP 119  -1.846 -13.735  -2.007
  911    HB2  TRP 119           HB2      TRP 119  -3.743 -15.035  -1.604
  912    HB3  TRP 119           HB3      TRP 119  -4.746 -14.130  -2.730
  913    HD1  TRP 119           HD1      TRP 119  -4.960 -14.940  -5.121
  914    HE1  TRP 119           HE1      TRP 119  -3.993 -16.829  -6.536
  915    HE3  TRP 119           HE3      TRP 119  -1.288 -16.494  -1.912
  916    HZ2  TRP 119           HZ2      TRP 119  -2.025 -18.946  -6.180
  917    HZ3  TRP 119           HZ3      TRP 119   0.144 -18.433  -2.493
  918    HH2  TRP 119           HH2      TRP 119  -0.236 -19.685  -4.603
  919    H    LEU 120           H        LEU 120  -3.928 -11.805  -4.187
  920    HA   LEU 120           HA       LEU 120  -2.819 -12.684  -6.610
  921    HB2  LEU 120           HB2      LEU 120  -4.928 -11.214  -6.072
  922    HB3  LEU 120           HB3      LEU 120  -3.838  -9.847  -6.070
  923    HG   LEU 120           HG       LEU 120  -4.981  -9.944  -8.132
  924   HD11  LEU 120          HD11      LEU 120  -2.593  -9.288  -8.296
  925   HD12  LEU 120          HD12      LEU 120  -2.197 -10.947  -8.797
  926   HD13  LEU 120          HD13      LEU 120  -3.265  -9.953  -9.792
  927   HD21  LEU 120          HD21      LEU 120  -5.714 -12.214  -8.158
  928   HD22  LEU 120          HD22      LEU 120  -4.865 -11.896  -9.676
  929   HD23  LEU 120          HD23      LEU 120  -4.076 -12.833  -8.389
  930    H    ALA 121           H        ALA 121  -2.052  -9.879  -4.502
  931    HA   ALA 121           HA       ALA 121   0.242  -8.984  -5.957
  932    HB1  ALA 121           HB1      ALA 121  -0.674  -8.607  -3.068
  933    HB2  ALA 121           HB2      ALA 121   0.622  -7.665  -3.851
  934    HB3  ALA 121           HB3      ALA 121  -1.050  -7.554  -4.440
  935    H    ARG 122           H        ARG 122  -0.140 -11.293  -3.248
  936    HA   ARG 122           HA       ARG 122   2.605 -11.548  -2.615
  937    HB2  ARG 122           HB2      ARG 122   0.700 -12.260  -1.172
  938    HB3  ARG 122           HB3      ARG 122   0.312 -13.536  -2.322
  939    HG2  ARG 122           HG2      ARG 122   1.370 -14.466  -0.390
  940    HG3  ARG 122           HG3      ARG 122   2.410 -14.705  -1.788
  941    HD2  ARG 122           HD2      ARG 122   3.863 -12.854  -1.049
  942    HD3  ARG 122           HD3      ARG 122   2.755 -12.495   0.278
  943    HE   ARG 122           HE       ARG 122   4.419 -14.964  -0.030
  944   HH11  ARG 122          HH11      ARG 122   2.802 -12.683   2.245
  945   HH12  ARG 122          HH12      ARG 122   3.108 -13.732   3.602
  946   HH21  ARG 122          HH21      ARG 122   4.871 -16.194   1.871
  947   HH22  ARG 122          HH22      ARG 122   4.306 -15.586   3.414
  948    H    GLY 123           H        GLY 123   0.779 -12.962  -5.336
  949    HA2  GLY 123           HA2      GLY 123   3.088 -13.754  -6.671
  950    HA3  GLY 123           HA3      GLY 123   2.622 -15.164  -5.721
  951    H    TYR 124           H        TYR 124  -0.388 -14.285  -6.265
  952    HA   TYR 124           HA       TYR 124  -1.949 -15.295  -7.595
  953    HB2  TYR 124           HB2      TYR 124  -1.634 -13.064  -8.462
  954    HB3  TYR 124           HB3      TYR 124  -0.364 -13.603  -9.541
  955    HD1  TYR 124           HD2      TYR 124  -3.563 -15.537  -9.112
  956    HD2  TYR 124           HD1      TYR 124  -1.393 -12.651 -11.488
  957    HE1  TYR 124           HE2      TYR 124  -5.157 -15.858 -10.937
  958    HE2  TYR 124           HE1      TYR 124  -3.025 -12.933 -13.318
  959    HH   TYR 124           HH       TYR 124  -4.925 -14.039 -14.053
  960    H    LYS 125           H        LYS 125  -0.397 -17.344  -7.129
  961    HA   LYS 125           HA       LYS 125   0.802 -18.535  -9.499
  962    HB2  LYS 125           HB2      LYS 125  -0.115 -19.982  -6.984
  963    HB3  LYS 125           HB3      LYS 125   0.992 -20.586  -8.199
  964    HG2  LYS 125           HG2      LYS 125   1.521 -18.255  -6.303
  965    HG3  LYS 125           HG3      LYS 125   2.186 -19.884  -6.200
  966    HD2  LYS 125           HD2      LYS 125   3.329 -19.519  -8.425
  967    HD3  LYS 125           HD3      LYS 125   2.710 -17.865  -8.426
  968    HE2  LYS 125           HE2      LYS 125   4.953 -17.742  -7.663
  969    HE3  LYS 125           HE3      LYS 125   3.911 -17.424  -6.276
  970    HZ1  LYS 125           HZ1      LYS 125   5.256 -20.006  -6.854
  971    HZ2  LYS 125           HZ2      LYS 125   5.724 -18.929  -5.729
  972    HZ3  LYS 125           HZ3      LYS 125   4.310 -19.716  -5.549
  973    H    PHE 126           H        PHE 126  -2.457 -18.417  -8.261
  974    HA   PHE 126           HA       PHE 126  -3.676 -19.487 -10.572
  975    HB2  PHE 126           HB2      PHE 126  -4.976 -21.241  -9.099
  976    HB3  PHE 126           HB3      PHE 126  -3.460 -21.672  -9.846
  977    HD1  PHE 126           HD2      PHE 126  -4.892 -20.488  -6.582
  978    HD2  PHE 126           HD1      PHE 126  -1.650 -22.503  -8.586
  979    HE1  PHE 126           HE2      PHE 126  -3.880 -21.079  -4.380
  980    HE2  PHE 126           HE1      PHE 126  -0.639 -23.066  -6.395
  981    HZ   PHE 126           HZ       PHE 126  -1.730 -22.312  -4.293
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   1.904  -3.482  -0.389
    2    H2   MET   1           H2       MET   1   2.292  -2.329  -1.499
    3    H3   MET   1           H3       MET   1   1.613  -3.743  -1.972
    4    HA   MET   1           HA       MET   1   3.937  -3.792  -2.491
    5    HB2  MET   1           HB2      MET   1   4.286  -3.371   0.517
    6    HB3  MET   1           HB3      MET   1   5.562  -3.913  -0.574
    7    HG2  MET   1           HG2      MET   1   5.274  -1.828  -1.919
    8    HG3  MET   1           HG3      MET   1   4.141  -1.229  -0.706
    9    HE1  MET   1           HE1      MET   1   4.779  -0.457   1.710
   10    HE2  MET   1           HE2      MET   1   5.446  -2.058   2.113
   11    HE3  MET   1           HE3      MET   1   6.404  -0.595   2.415
   12    H    ALA   2           H        ALA   2   4.967  -5.860  -2.560
   13    HA   ALA   2           HA       ALA   2   3.270  -8.044  -2.021
   14    HB1  ALA   2           HB1      ALA   2   6.266  -8.049  -2.594
   15    HB2  ALA   2           HB2      ALA   2   5.161  -9.429  -2.769
   16    HB3  ALA   2           HB3      ALA   2   4.968  -8.014  -3.816
   17    H    SER   3           H        SER   3   5.487  -6.506   0.181
   18    HA   SER   3           HA       SER   3   5.879  -8.687   1.935
   19    HB2  SER   3           HB2      SER   3   5.859  -5.691   2.449
   20    HB3  SER   3           HB3      SER   3   6.513  -6.914   3.558
   21    HG   SER   3           HG       SER   3   7.972  -5.807   1.921
   22    H    VAL   4           H        VAL   4   2.897  -7.208   1.233
   23    HA   VAL   4           HA       VAL   4   1.611  -6.917   3.624
   24    HB   VAL   4           HB       VAL   4   0.682  -6.265   1.541
   25   HG11  VAL   4          HG11      VAL   4  -0.328  -7.688  -0.094
   26   HG12  VAL   4          HG12      VAL   4   1.362  -8.172   0.069
   27   HG13  VAL   4          HG13      VAL   4   0.080  -9.154   0.806
   28   HG21  VAL   4          HG21      VAL   4  -1.163  -8.290   2.859
   29   HG22  VAL   4          HG22      VAL   4  -0.842  -6.641   3.441
   30   HG23  VAL   4          HG23      VAL   4  -1.639  -6.887   1.880
   31    H    GLU   5           H        GLU   5   1.876  -8.158   5.258
   32    HA   GLU   5           HA       GLU   5   1.866  -9.869   6.711
   33    HB2  GLU   5           HB2      GLU   5  -0.261 -11.021   4.883
   34    HB3  GLU   5           HB3      GLU   5   0.056 -11.515   6.557
   35    HG2  GLU   5           HG2      GLU   5  -0.510  -9.173   7.271
   36    HG3  GLU   5           HG3      GLU   5  -1.047  -8.853   5.614
   37    H    ARG   6           H        ARG   6   3.840 -10.127   4.429
   38    HA   ARG   6           HA       ARG   6   3.815 -12.845   3.578
   39    HB2  ARG   6           HB2      ARG   6   5.880 -12.455   2.507
   40    HB3  ARG   6           HB3      ARG   6   4.904 -11.004   2.329
   41    HG2  ARG   6           HG2      ARG   6   6.260  -9.816   3.960
   42    HG3  ARG   6           HG3      ARG   6   7.132 -11.278   4.414
   43    HD2  ARG   6           HD2      ARG   6   8.314 -11.404   2.375
   44    HD3  ARG   6           HD3      ARG   6   7.152 -10.402   1.520
   45    HE   ARG   6           HE       ARG   6   8.165  -8.481   2.216
   46   HH11  ARG   6          HH11      ARG   6   9.608 -11.170   4.052
   47   HH12  ARG   6          HH12      ARG   6  10.871 -10.204   4.719
   48   HH21  ARG   6          HH21      ARG   6   9.807  -7.226   3.088
   49   HH22  ARG   6          HH22      ARG   6  10.994  -7.896   4.147
   50    H    ASP   7           H        ASP   7   4.036 -12.381   6.649
   51    HA   ASP   7           HA       ASP   7   6.485 -13.649   7.526
   52    HB2  ASP   7           HB2      ASP   7   5.037 -12.347   9.057
   53    HB3  ASP   7           HB3      ASP   7   3.730 -13.513   8.824
   54    H    GLU   8           H        GLU   8   6.837 -15.860   7.916
   55    HA   GLU   8           HA       GLU   8   5.837 -17.623   6.011
   56    HB2  GLU   8           HB2      GLU   8   7.199 -18.210   8.671
   57    HB3  GLU   8           HB3      GLU   8   6.938 -19.399   7.387
   58    HG2  GLU   8           HG2      GLU   8   8.257 -17.981   5.814
   59    HG3  GLU   8           HG3      GLU   8   8.592 -16.851   7.128
   60    H    THR   9           H        THR   9   4.380 -16.888   9.187
   61    HA   THR   9           HA       THR   9   2.858 -19.298   9.358
   62    HB   THR   9           HB       THR   9   3.312 -17.463  11.132
   63    HG1  THR   9           HG1      THR   9   2.179 -19.237  11.642
   64   HG21  THR   9          HG21      THR   9   2.181 -15.559   9.933
   65   HG22  THR   9          HG22      THR   9   0.631 -16.404  10.134
   66   HG23  THR   9          HG23      THR   9   1.550 -15.876  11.556
   67    H    ARG  10           H        ARG  10   2.237 -16.243   7.545
   68    HA   ARG  10           HA       ARG  10  -0.440 -16.996   6.788
   69    HB2  ARG  10           HB2      ARG  10   0.319 -14.658   6.635
   70    HB3  ARG  10           HB3      ARG  10   1.542 -15.109   5.432
   71    HG2  ARG  10           HG2      ARG  10  -0.187 -15.768   3.835
   72    HG3  ARG  10           HG3      ARG  10  -1.460 -15.495   5.039
   73    HD2  ARG  10           HD2      ARG  10  -0.998 -13.115   5.056
   74    HD3  ARG  10           HD3      ARG  10   0.411 -13.331   4.001
   75    HE   ARG  10           HE       ARG  10  -0.953 -13.784   2.166
   76   HH11  ARG  10          HH11      ARG  10  -3.001 -12.599   4.898
   77   HH12  ARG  10          HH12      ARG  10  -4.466 -13.104   4.054
   78   HH21  ARG  10          HH21      ARG  10  -3.022 -13.986   1.062
   79   HH22  ARG  10          HH22      ARG  10  -4.476 -13.660   1.979
   80    H    GLU  11           H        GLU  11   2.777 -17.378   5.258
   81    HA   GLU  11           HA       GLU  11   1.862 -18.540   2.851
   82    HB2  GLU  11           HB2      GLU  11   4.486 -19.149   4.270
   83    HB3  GLU  11           HB3      GLU  11   4.156 -19.293   2.548
   84    HG2  GLU  11           HG2      GLU  11   4.262 -16.688   4.145
   85    HG3  GLU  11           HG3      GLU  11   5.531 -17.321   3.121
   86    H    HIS  12           H        HIS  12   2.801 -20.045   5.965
   87    HA   HIS  12           HA       HIS  12   2.332 -22.762   5.271
   88    HB2  HIS  12           HB2      HIS  12   3.571 -22.386   7.222
   89    HB3  HIS  12           HB3      HIS  12   2.491 -21.125   7.798
   90    HD1  HIS  12           HD1      HIS  12   2.052 -24.983   7.285
   91    HD2  HIS  12           HD2      HIS  12   1.055 -21.731   9.769
   92    HE1  HIS  12           HE1      HIS  12   0.650 -25.939   9.183
   93    H    ARG  13           H        ARG  13   0.125 -20.337   6.864
   94    HA   ARG  13           HA       ARG  13  -2.009 -22.208   7.169
   95    HB2  ARG  13           HB2      ARG  13  -1.977 -19.169   6.990
   96    HB3  ARG  13           HB3      ARG  13  -3.421 -20.092   7.414
   97    HG2  ARG  13           HG2      ARG  13  -2.499 -20.870   9.469
   98    HG3  ARG  13           HG3      ARG  13  -0.856 -20.438   9.006
   99    HD2  ARG  13           HD2      ARG  13  -1.710 -17.991   8.887
  100    HD3  ARG  13           HD3      ARG  13  -3.125 -18.570   9.770
  101    HE   ARG  13           HE       ARG  13  -0.258 -18.723  10.675
  102   HH11  ARG  13          HH11      ARG  13  -3.679 -18.374  11.618
  103   HH12  ARG  13          HH12      ARG  13  -3.305 -18.022  13.264
  104   HH21  ARG  13          HH21      ARG  13   0.217 -18.247  12.737
  105   HH22  ARG  13          HH22      ARG  13  -1.004 -17.968  13.948
  106    H    ILE  14           H        ILE  14  -1.467 -19.756   4.577
  107    HA   ILE  14           HA       ILE  14  -3.833 -20.306   3.263
  108    HB   ILE  14           HB       ILE  14  -2.006 -18.414   3.062
  109   HG12  ILE  14          HG12      ILE  14  -3.753 -19.097   0.692
  110   HG13  ILE  14          HG13      ILE  14  -4.312 -18.394   2.223
  111   HG21  ILE  14          HG21      ILE  14  -0.707 -18.383   1.029
  112   HG22  ILE  14          HG22      ILE  14  -0.274 -19.813   1.949
  113   HG23  ILE  14          HG23      ILE  14  -1.343 -19.965   0.534
  114   HD11  ILE  14          HD11      ILE  14  -4.031 -16.549   0.791
  115   HD12  ILE  14          HD12      ILE  14  -2.637 -16.507   1.871
  116   HD13  ILE  14          HD13      ILE  14  -2.456 -17.110   0.205
  117    H    GLU  15           H        GLU  15  -0.633 -21.851   2.868
  118    HA   GLU  15           HA       GLU  15  -1.289 -23.667   0.779
  119    HB2  GLU  15           HB2      GLU  15   0.991 -23.207   1.449
  120    HB3  GLU  15           HB3      GLU  15   0.687 -23.799   3.077
  121    HG2  GLU  15           HG2      GLU  15   1.921 -25.451   1.819
  122    HG3  GLU  15           HG3      GLU  15   0.330 -26.063   2.260
  123    H    THR  16           H        THR  16  -1.496 -24.005   4.387
  124    HA   THR  16           HA       THR  16  -2.613 -26.681   4.015
  125    HB   THR  16           HB       THR  16  -2.350 -26.798   6.495
  126    HG1  THR  16           HG1      THR  16  -1.064 -24.283   6.230
  127   HG21  THR  16          HG21      THR  16   0.084 -26.853   6.503
  128   HG22  THR  16          HG22      THR  16  -0.533 -27.509   4.980
  129   HG23  THR  16          HG23      THR  16   0.156 -25.874   5.020
  130    H    GLU  17           H        GLU  17  -4.215 -23.888   3.709
  131    HA   GLU  17           HA       GLU  17  -6.670 -25.192   4.803
  132    HB2  GLU  17           HB2      GLU  17  -5.858 -23.309   6.199
  133    HB3  GLU  17           HB3      GLU  17  -5.986 -22.222   4.797
  134    HG2  GLU  17           HG2      GLU  17  -8.363 -22.606   4.644
  135    HG3  GLU  17           HG3      GLU  17  -8.286 -23.874   5.873
  136    H    ILE  18           H        ILE  18  -5.455 -22.858   2.261
  137    HA   ILE  18           HA       ILE  18  -8.157 -22.811   1.141
  138    HB   ILE  18           HB       ILE  18  -5.646 -21.588  -0.052
  139   HG12  ILE  18          HG12      ILE  18  -5.625 -20.770   2.196
  140   HG13  ILE  18          HG13      ILE  18  -6.122 -19.493   1.109
  141   HG21  ILE  18          HG21      ILE  18  -8.596 -20.901  -0.251
  142   HG22  ILE  18          HG22      ILE  18  -7.292 -19.862  -0.866
  143   HG23  ILE  18          HG23      ILE  18  -7.537 -21.468  -1.552
  144   HD11  ILE  18          HD11      ILE  18  -7.324 -19.474   3.240
  145   HD12  ILE  18          HD12      ILE  18  -8.442 -19.697   1.872
  146   HD13  ILE  18          HD13      ILE  18  -7.994 -21.079   2.905
  147    H    ILE  19           H        ILE  19  -5.118 -24.437   0.424
  148    HA   ILE  19           HA       ILE  19  -6.266 -25.600  -2.069
  149    HB   ILE  19           HB       ILE  19  -4.012 -25.178  -3.079
  150   HG12  ILE  19          HG12      ILE  19  -3.480 -23.787  -0.430
  151   HG13  ILE  19          HG13      ILE  19  -2.507 -24.964  -1.286
  152   HG21  ILE  19          HG21      ILE  19  -5.403 -22.617  -2.217
  153   HG22  ILE  19          HG22      ILE  19  -4.496 -22.921  -3.703
  154   HG23  ILE  19          HG23      ILE  19  -6.036 -23.731  -3.440
  155   HD11  ILE  19          HD11      ILE  19  -2.081 -23.157  -3.031
  156   HD12  ILE  19          HD12      ILE  19  -2.943 -22.029  -1.949
  157   HD13  ILE  19          HD13      ILE  19  -1.455 -22.807  -1.404
  158    H    VAL  20           H        VAL  20  -5.828 -26.772   0.732
  159    HA   VAL  20           HA       VAL  20  -3.752 -28.674   0.651
  160    HB   VAL  20           HB       VAL  20  -5.287 -30.020   2.178
  161   HG11  VAL  20          HG11      VAL  20  -5.004 -28.416   4.020
  162   HG12  VAL  20          HG12      VAL  20  -3.574 -28.485   2.976
  163   HG13  VAL  20          HG13      VAL  20  -4.706 -27.121   2.830
  164   HG21  VAL  20          HG21      VAL  20  -7.508 -29.180   1.418
  165   HG22  VAL  20          HG22      VAL  20  -7.240 -28.925   3.141
  166   HG23  VAL  20          HG23      VAL  20  -7.099 -27.558   2.028
  167    H    ASP  21           H        ASP  21  -6.932 -28.733  -0.906
  168    HA   ASP  21           HA       ASP  21  -6.889 -31.586  -1.408
  169    HB2  ASP  21           HB2      ASP  21  -8.915 -30.237  -0.843
  170    HB3  ASP  21           HB3      ASP  21  -8.773 -29.411  -2.395
  171    H    ALA  22           H        ALA  22  -5.093 -29.267  -2.926
  172    HA   ALA  22           HA       ALA  22  -5.335 -30.473  -5.639
  173    HB1  ALA  22           HB1      ALA  22  -5.625 -27.548  -4.834
  174    HB2  ALA  22           HB2      ALA  22  -5.286 -28.085  -6.492
  175    HB3  ALA  22           HB3      ALA  22  -6.802 -28.558  -5.695
  176    H    GLU  23           H        GLU  23  -3.486 -30.155  -6.947
  177    HA   GLU  23           HA       GLU  23  -1.015 -29.179  -5.605
  178    HB2  GLU  23           HB2      GLU  23   0.123 -31.240  -6.167
  179    HB3  GLU  23           HB3      GLU  23  -1.281 -31.570  -5.156
  180    HG2  GLU  23           HG2      GLU  23  -2.573 -32.271  -7.170
  181    HG3  GLU  23           HG3      GLU  23  -1.171 -31.940  -8.187
  182    H    ASP  24           H        ASP  24  -2.934 -28.791  -8.283
  183    HA   ASP  24           HA       ASP  24  -0.641 -28.008 -10.027
  184    HB2  ASP  24           HB2      ASP  24  -1.716 -30.030 -10.938
  185    HB3  ASP  24           HB3      ASP  24  -3.309 -29.282 -10.786
  186    H    LYS  25           H        LYS  25  -0.967 -25.988 -11.066
  187    HA   LYS  25           HA       LYS  25  -2.320 -24.064  -9.657
  188    HB2  LYS  25           HB2      LYS  25  -1.827 -22.523 -11.335
  189    HB3  LYS  25           HB3      LYS  25  -0.480 -23.641 -11.284
  190    HG2  LYS  25           HG2      LYS  25  -2.719 -23.667 -13.360
  191    HG3  LYS  25           HG3      LYS  25  -1.198 -22.826 -13.566
  192    HD2  LYS  25           HD2      LYS  25   0.069 -24.800 -13.782
  193    HD3  LYS  25           HD3      LYS  25  -1.169 -25.797 -13.032
  194    HE2  LYS  25           HE2      LYS  25  -2.524 -24.688 -15.190
  195    HE3  LYS  25           HE3      LYS  25  -0.916 -24.962 -15.856
  196    HZ1  LYS  25           HZ1      LYS  25  -1.143 -27.255 -15.470
  197    HZ2  LYS  25           HZ2      LYS  25  -2.319 -27.079 -14.340
  198    HZ3  LYS  25           HZ3      LYS  25  -2.686 -26.823 -15.909
  199    H    GLU  26           H        GLU  26  -3.815 -26.028 -12.270
  200    HA   GLU  26           HA       GLU  26  -6.091 -24.191 -12.529
  201    HB2  GLU  26           HB2      GLU  26  -5.560 -27.048 -13.456
  202    HB3  GLU  26           HB3      GLU  26  -7.102 -26.226 -13.714
  203    HG2  GLU  26           HG2      GLU  26  -6.083 -24.501 -15.053
  204    HG3  GLU  26           HG3      GLU  26  -4.462 -25.056 -14.652
  205    H    GLU  27           H        GLU  27  -5.348 -27.241 -10.808
  206    HA   GLU  27           HA       GLU  27  -7.973 -27.561  -9.655
  207    HB2  GLU  27           HB2      GLU  27  -5.258 -28.650  -8.794
  208    HB3  GLU  27           HB3      GLU  27  -6.822 -29.205  -8.194
  209    HG2  GLU  27           HG2      GLU  27  -5.854 -29.402 -11.081
  210    HG3  GLU  27           HG3      GLU  27  -5.849 -30.704  -9.903
  211    H    ARG  28           H        ARG  28  -4.985 -25.866  -8.659
  212    HA   ARG  28           HA       ARG  28  -6.035 -25.186  -6.038
  213    HB2  ARG  28           HB2      ARG  28  -3.642 -24.156  -7.638
  214    HB3  ARG  28           HB3      ARG  28  -4.077 -23.575  -6.018
  215    HG2  ARG  28           HG2      ARG  28  -4.093 -25.942  -5.216
  216    HG3  ARG  28           HG3      ARG  28  -3.440 -26.471  -6.764
  217    HD2  ARG  28           HD2      ARG  28  -1.344 -25.405  -6.343
  218    HD3  ARG  28           HD3      ARG  28  -2.039 -24.442  -5.016
  219    HE   ARG  28           HE       ARG  28  -2.289 -27.320  -4.630
  220   HH11  ARG  28          HH11      ARG  28  -0.011 -24.657  -4.003
  221   HH12  ARG  28          HH12      ARG  28   0.280 -25.172  -2.360
  222   HH21  ARG  28          HH21      ARG  28  -1.847 -27.994  -2.604
  223   HH22  ARG  28          HH22      ARG  28  -0.634 -27.190  -1.614
  224    H    ALA  29           H        ALA  29  -6.276 -23.657  -9.239
  225    HA   ALA  29           HA       ALA  29  -7.414 -21.197  -8.229
  226    HB1  ALA  29           HB1      ALA  29  -7.942 -22.559 -10.907
  227    HB2  ALA  29           HB2      ALA  29  -8.234 -20.868 -10.484
  228    HB3  ALA  29           HB3      ALA  29  -6.573 -21.471 -10.575
  229    H    MET  30           H        MET  30  -8.720 -24.470  -9.050
  230    HA   MET  30           HA       MET  30 -11.427 -23.769  -8.390
  231    HB2  MET  30           HB2      MET  30 -10.106 -26.494  -8.378
  232    HB3  MET  30           HB3      MET  30 -11.828 -26.183  -8.223
  233    HG2  MET  30           HG2      MET  30 -10.168 -25.352 -10.629
  234    HG3  MET  30           HG3      MET  30 -11.072 -26.848 -10.494
  235    HE1  MET  30           HE1      MET  30 -12.208 -22.773  -9.966
  236    HE2  MET  30           HE2      MET  30 -11.021 -23.166 -11.230
  237    HE3  MET  30           HE3      MET  30 -12.693 -22.749 -11.655
  238    H    GLY  31           H        GLY  31  -8.740 -25.036  -6.339
  239    HA2  GLY  31           HA2      GLY  31 -10.160 -25.323  -3.938
  240    HA3  GLY  31           HA3      GLY  31  -8.477 -24.781  -4.058
  241    H    TRP  32           H        TRP  32  -8.486 -22.348  -5.109
  242    HA   TRP  32           HA       TRP  32  -9.443 -20.543  -3.211
  243    HB2  TRP  32           HB2      TRP  32  -8.548 -20.267  -6.090
  244    HB3  TRP  32           HB3      TRP  32  -9.227 -18.892  -5.237
  245    HD1  TRP  32           HD1      TRP  32  -6.039 -20.916  -5.425
  246    HE1  TRP  32           HE1      TRP  32  -4.253 -19.853  -3.954
  247    HE3  TRP  32           HE3      TRP  32  -8.919 -17.384  -3.120
  248    HZ2  TRP  32           HZ2      TRP  32  -4.172 -17.946  -1.735
  249    HZ3  TRP  32           HZ3      TRP  32  -7.969 -15.960  -1.332
  250    HH2  TRP  32           HH2      TRP  32  -5.628 -16.241  -0.621
  251    H    TYR  33           H        TYR  33 -10.956 -21.448  -6.383
  252    HA   TYR  33           HA       TYR  33 -13.187 -19.750  -6.190
  253    HB2  TYR  33           HB2      TYR  33 -12.566 -20.961  -8.234
  254    HB3  TYR  33           HB3      TYR  33 -12.937 -22.496  -7.469
  255    HD1  TYR  33           HD2      TYR  33 -15.294 -23.130  -6.897
  256    HD2  TYR  33           HD1      TYR  33 -14.335 -19.610  -9.190
  257    HE1  TYR  33           HE2      TYR  33 -17.648 -22.969  -7.610
  258    HE2  TYR  33           HE1      TYR  33 -16.640 -19.541 -10.056
  259    HH   TYR  33           HH       TYR  33 -19.184 -21.851  -8.976
  260    H    TYR  34           H        TYR  34 -12.823 -23.140  -4.951
  261    HA   TYR  34           HA       TYR  34 -15.546 -23.448  -4.331
  262    HB2  TYR  34           HB2      TYR  34 -13.123 -24.791  -3.070
  263    HB3  TYR  34           HB3      TYR  34 -14.783 -25.291  -2.802
  264    HD1  TYR  34           HD2      TYR  34 -15.958 -25.198  -5.574
  265    HD2  TYR  34           HD1      TYR  34 -12.166 -26.667  -4.120
  266    HE1  TYR  34           HE2      TYR  34 -15.835 -26.749  -7.482
  267    HE2  TYR  34           HE1      TYR  34 -12.047 -28.245  -6.020
  268    HH   TYR  34           HH       TYR  34 -14.605 -28.425  -8.542
  269    H    TYR  35           H        TYR  35 -12.839 -22.486  -2.048
  270    HA   TYR  35           HA       TYR  35 -14.807 -22.245   0.063
  271    HB2  TYR  35           HB2      TYR  35 -13.145 -21.779   1.489
  272    HB3  TYR  35           HB3      TYR  35 -12.163 -22.509   0.230
  273    HD1  TYR  35           HD1      TYR  35 -10.931 -20.988  -1.387
  274    HD2  TYR  35           HD2      TYR  35 -12.974 -19.452   2.087
  275    HE1  TYR  35           HE1      TYR  35  -9.869 -18.806  -1.738
  276    HE2  TYR  35           HE2      TYR  35 -11.906 -17.248   1.755
  277    HH   TYR  35           HH       TYR  35 -10.524 -15.963   0.395
  278    H    LEU  36           H        LEU  36 -13.423 -19.927  -2.310
  279    HA   LEU  36           HA       LEU  36 -14.399 -17.589  -1.057
  280    HB2  LEU  36           HB2      LEU  36 -12.660 -17.570  -2.775
  281    HB3  LEU  36           HB3      LEU  36 -13.799 -18.195  -3.976
  282    HG   LEU  36           HG       LEU  36 -15.119 -16.115  -3.845
  283   HD11  LEU  36          HD11      LEU  36 -12.941 -15.155  -1.926
  284   HD12  LEU  36          HD12      LEU  36 -14.174 -14.121  -2.680
  285   HD13  LEU  36          HD13      LEU  36 -14.665 -15.377  -1.540
  286   HD21  LEU  36          HD21      LEU  36 -12.151 -15.613  -4.320
  287   HD22  LEU  36          HD22      LEU  36 -13.265 -16.399  -5.463
  288   HD23  LEU  36          HD23      LEU  36 -13.521 -14.714  -5.016
  289    H    ASP  37           H        ASP  37 -15.835 -19.602  -3.695
  290    HA   ASP  37           HA       ASP  37 -18.193 -18.072  -4.065
  291    HB2  ASP  37           HB2      ASP  37 -17.423 -19.803  -5.638
  292    HB3  ASP  37           HB3      ASP  37 -17.695 -21.054  -4.423
  293    H    ASP  38           H        ASP  38 -17.441 -20.761  -1.817
  294    HA   ASP  38           HA       ASP  38 -20.059 -20.940  -0.663
  295    HB2  ASP  38           HB2      ASP  38 -18.391 -22.729  -0.507
  296    HB3  ASP  38           HB3      ASP  38 -17.336 -21.695   0.457
  297    H    THR  39           H        THR  39 -17.446 -18.627  -0.128
  298    HA   THR  39           HA       THR  39 -18.506 -17.870   2.530
  299    HB   THR  39           HB       THR  39 -16.022 -16.943   1.033
  300    HG1  THR  39           HG1      THR  39 -15.811 -19.049   1.549
  301   HG21  THR  39          HG21      THR  39 -16.588 -15.261   2.657
  302   HG22  THR  39          HG22      THR  39 -17.015 -16.467   3.875
  303   HG23  THR  39          HG23      THR  39 -15.317 -16.251   3.390
  304    H    LEU  40           H        LEU  40 -18.188 -16.532  -0.779
  305    HA   LEU  40           HA       LEU  40 -18.972 -13.851  -0.155
  306    HB2  LEU  40           HB2      LEU  40 -19.293 -15.533  -2.671
  307    HB3  LEU  40           HB3      LEU  40 -19.734 -13.831  -2.589
  308    HG   LEU  40           HG       LEU  40 -16.919 -14.880  -2.133
  309   HD11  LEU  40          HD11      LEU  40 -16.449 -14.031  -4.405
  310   HD12  LEU  40          HD12      LEU  40 -17.676 -15.301  -4.438
  311   HD13  LEU  40          HD13      LEU  40 -18.160 -13.600  -4.605
  312   HD21  LEU  40          HD21      LEU  40 -17.080 -12.785  -1.046
  313   HD22  LEU  40          HD22      LEU  40 -16.257 -12.518  -2.577
  314   HD23  LEU  40          HD23      LEU  40 -17.965 -12.059  -2.421
  315    H    GLU  41           H        GLU  41 -20.917 -13.287   0.788
  316    HA   GLU  41           HA       GLU  41 -23.281 -15.003   0.461
  317    HB2  GLU  41           HB2      GLU  41 -22.892 -12.407   2.009
  318    HB3  GLU  41           HB3      GLU  41 -24.364 -13.398   1.972
  319    HG2  GLU  41           HG2      GLU  41 -22.807 -15.357   2.723
  320    HG3  GLU  41           HG3      GLU  41 -21.678 -14.086   3.192
  321    H    PHE  42           H        PHE  42 -22.635 -14.440  -1.962
  322    HA   PHE  42           HA       PHE  42 -23.439 -11.956  -3.068
  323    HB2  PHE  42           HB2      PHE  42 -23.188 -13.064  -5.222
  324    HB3  PHE  42           HB3      PHE  42 -21.881 -13.511  -4.161
  325    HD1  PHE  42           HD1      PHE  42 -25.084 -14.699  -5.689
  326    HD2  PHE  42           HD2      PHE  42 -21.470 -15.836  -3.622
  327    HE1  PHE  42           HE1      PHE  42 -25.561 -17.084  -6.156
  328    HE2  PHE  42           HE2      PHE  42 -21.957 -18.214  -4.085
  329    HZ   PHE  42           HZ       PHE  42 -24.002 -18.851  -5.352
  330    HA   PRO  43           HA       PRO  43 -24.456 -11.372  -5.335
  331    HB2  PRO  43           HB2      PRO  43 -26.386  -9.552  -5.910
  332    HB3  PRO  43           HB3      PRO  43 -26.327 -11.174  -6.665
  333    HG2  PRO  43           HG2      PRO  43 -27.992 -10.297  -4.286
  334    HG3  PRO  43           HG3      PRO  43 -28.528 -11.195  -5.743
  335    HD2  PRO  43           HD2      PRO  43 -27.891 -12.464  -3.409
  336    HD3  PRO  43           HD3      PRO  43 -27.513 -13.191  -4.998
  337    H    PHE  44           H        PHE  44 -23.665  -9.209  -5.129
  338    HA   PHE  44           HA       PHE  44 -24.342  -7.639  -2.735
  339    HB2  PHE  44           HB2      PHE  44 -22.088  -7.490  -1.938
  340    HB3  PHE  44           HB3      PHE  44 -22.631  -9.145  -1.879
  341    HD1  PHE  44           HD1      PHE  44 -21.717 -10.838  -3.559
  342    HD2  PHE  44           HD2      PHE  44 -20.071  -6.889  -3.112
  343    HE1  PHE  44           HE1      PHE  44 -19.594 -11.612  -4.566
  344    HE2  PHE  44           HE2      PHE  44 -17.955  -7.654  -4.136
  345    HZ   PHE  44           HZ       PHE  44 -17.698 -10.025  -4.845
  346    H    MET  45           H        MET  45 -22.356  -5.672  -2.989
  347    HA   MET  45           HA       MET  45 -22.438  -4.916  -5.853
  348    HB2  MET  45           HB2      MET  45 -23.349  -2.831  -5.533
  349    HB3  MET  45           HB3      MET  45 -24.392  -3.883  -4.607
  350    HG2  MET  45           HG2      MET  45 -23.785  -2.956  -2.594
  351    HG3  MET  45           HG3      MET  45 -22.144  -2.595  -3.095
  352    HE1  MET  45           HE1      MET  45 -22.343   0.766  -4.982
  353    HE2  MET  45           HE2      MET  45 -21.327  -0.594  -4.487
  354    HE3  MET  45           HE3      MET  45 -22.470  -0.789  -5.825
  355    H    GLY  46           H        GLY  46 -21.083  -2.960  -6.308
  356    HA2  GLY  46           HA2      GLY  46 -18.829  -2.495  -4.503
  357    HA3  GLY  46           HA3      GLY  46 -18.448  -3.595  -5.838
  358    H    LYS  47           H        LYS  47 -16.963  -1.640  -5.849
  359    HA   LYS  47           HA       LYS  47 -17.916   0.082  -8.090
  360    HB2  LYS  47           HB2      LYS  47 -17.220   1.248  -5.843
  361    HB3  LYS  47           HB3      LYS  47 -15.584   0.752  -6.247
  362    HG2  LYS  47           HG2      LYS  47 -15.697   2.915  -7.126
  363    HG3  LYS  47           HG3      LYS  47 -16.015   1.911  -8.543
  364    HD2  LYS  47           HD2      LYS  47 -17.628   3.633  -8.648
  365    HD3  LYS  47           HD3      LYS  47 -18.514   2.233  -8.042
  366    HE2  LYS  47           HE2      LYS  47 -18.445   3.097  -5.770
  367    HE3  LYS  47           HE3      LYS  47 -17.347   4.401  -6.251
  368    HZ1  LYS  47           HZ1      LYS  47 -19.082   5.394  -7.526
  369    HZ2  LYS  47           HZ2      LYS  47 -20.091   4.130  -7.348
  370    HZ3  LYS  47           HZ3      LYS  47 -19.716   5.078  -6.059
  371    H    TRP  48           H        TRP  48 -17.041  -0.643  -9.959
  372    HA   TRP  48           HA       TRP  48 -14.621  -2.343  -9.937
  373    HB2  TRP  48           HB2      TRP  48 -16.544  -2.744 -11.513
  374    HB3  TRP  48           HB3      TRP  48 -16.169  -1.222 -12.302
  375    HD1  TRP  48           HD1      TRP  48 -12.845  -2.324 -11.792
  376    HE1  TRP  48           HE1      TRP  48 -11.879  -3.735 -13.615
  377    HE3  TRP  48           HE3      TRP  48 -17.211  -3.599 -14.176
  378    HZ2  TRP  48           HZ2      TRP  48 -12.841  -5.344 -15.821
  379    HZ3  TRP  48           HZ3      TRP  48 -17.123  -5.115 -16.146
  380    HH2  TRP  48           HH2      TRP  48 -14.947  -5.991 -16.963
  381    H    LYS  49           H        LYS  49 -12.811  -1.269  -9.474
  382    HA   LYS  49           HA       LYS  49 -12.368   1.555 -10.115
  383    HB2  LYS  49           HB2      LYS  49 -10.464  -0.592  -9.049
  384    HB3  LYS  49           HB3      LYS  49 -10.182   1.145  -9.036
  385    HG2  LYS  49           HG2      LYS  49 -12.229  -0.385  -7.376
  386    HG3  LYS  49           HG3      LYS  49 -10.694   0.285  -6.846
  387    HD2  LYS  49           HD2      LYS  49 -11.870   2.565  -7.808
  388    HD3  LYS  49           HD3      LYS  49 -13.310   1.636  -7.328
  389    HE2  LYS  49           HE2      LYS  49 -11.997   1.202  -5.101
  390    HE3  LYS  49           HE3      LYS  49 -10.899   2.470  -5.658
  391    HZ1  LYS  49           HZ1      LYS  49 -13.677   2.681  -4.776
  392    HZ2  LYS  49           HZ2      LYS  49 -12.398   3.569  -4.339
  393    HZ3  LYS  49           HZ3      LYS  49 -13.064   3.862  -5.806
  394    H    LYS  50           H        LYS  50 -12.889   0.824 -12.504
  395    HA   LYS  50           HA       LYS  50 -11.119  -1.025 -13.838
  396    HB2  LYS  50           HB2      LYS  50 -13.440  -0.677 -14.530
  397    HB3  LYS  50           HB3      LYS  50 -13.120   1.016 -14.918
  398    HG2  LYS  50           HG2      LYS  50 -11.652   0.419 -16.738
  399    HG3  LYS  50           HG3      LYS  50 -11.666  -1.291 -16.286
  400    HD2  LYS  50           HD2      LYS  50 -14.103   0.275 -17.250
  401    HD3  LYS  50           HD3      LYS  50 -13.057  -0.717 -18.281
  402    HE2  LYS  50           HE2      LYS  50 -13.553  -2.698 -16.800
  403    HE3  LYS  50           HE3      LYS  50 -14.723  -1.709 -15.922
  404    HZ1  LYS  50           HZ1      LYS  50 -15.797  -3.023 -17.618
  405    HZ2  LYS  50           HZ2      LYS  50 -15.941  -1.447 -18.028
  406    HZ3  LYS  50           HZ3      LYS  50 -14.864  -2.402 -18.802
  407    H    LYS  51           H        LYS  51  -9.225  -0.640 -14.997
  408    HA   LYS  51           HA       LYS  51  -7.997   2.015 -14.632
  409    HB2  LYS  51           HB2      LYS  51  -7.011  -0.650 -15.703
  410    HB3  LYS  51           HB3      LYS  51  -6.107   0.829 -16.000
  411    HG2  LYS  51           HG2      LYS  51  -5.268  -0.411 -14.026
  412    HG3  LYS  51           HG3      LYS  51  -5.761   1.247 -13.656
  413    HD2  LYS  51           HD2      LYS  51  -7.843   0.488 -12.691
  414    HD3  LYS  51           HD3      LYS  51  -7.531  -1.190 -13.193
  415    HE2  LYS  51           HE2      LYS  51  -5.635  -1.276 -11.605
  416    HE3  LYS  51           HE3      LYS  51  -5.945   0.411 -11.145
  417    HZ1  LYS  51           HZ1      LYS  51  -7.050  -1.075  -9.598
  418    HZ2  LYS  51           HZ2      LYS  51  -8.224  -0.337 -10.514
  419    HZ3  LYS  51           HZ3      LYS  51  -7.821  -1.866 -10.827
  420    H    SER  52           H        SER  52  -7.222   3.320 -16.344
  421    HA   SER  52           HA       SER  52  -8.983   3.513 -18.603
  422    HB2  SER  52           HB2      SER  52  -7.708   5.491 -19.096
  423    HB3  SER  52           HB3      SER  52  -8.061   5.416 -17.370
  424    HG   SER  52           HG       SER  52  -5.712   5.380 -18.710
  425    H    ARG  53           H        ARG  53  -7.377   4.147 -20.745
  426    HA   ARG  53           HA       ARG  53  -6.833   1.434 -21.722
  427    HB2  ARG  53           HB2      ARG  53  -6.997   4.149 -23.108
  428    HB3  ARG  53           HB3      ARG  53  -6.647   2.631 -23.922
  429    HG2  ARG  53           HG2      ARG  53  -8.901   3.135 -24.316
  430    HG3  ARG  53           HG3      ARG  53  -8.859   1.722 -23.278
  431    HD2  ARG  53           HD2      ARG  53  -9.186   4.459 -22.016
  432    HD3  ARG  53           HD3      ARG  53 -10.541   3.766 -22.923
  433    HE   ARG  53           HE       ARG  53  -9.513   1.844 -21.063
  434   HH11  ARG  53          HH11      ARG  53 -11.681   4.642 -21.349
  435   HH12  ARG  53          HH12      ARG  53 -12.502   4.348 -19.845
  436   HH21  ARG  53          HH21      ARG  53 -10.576   1.519 -18.966
  437   HH22  ARG  53          HH22      ARG  53 -11.994   2.470 -18.620
  438    H    LYS  54           H        LYS  54  -4.976   1.495 -20.067
  439    HA   LYS  54           HA       LYS  54  -2.819   1.656 -19.471
  440    HB2  LYS  54           HB2      LYS  54  -2.700   0.234 -21.590
  441    HB3  LYS  54           HB3      LYS  54  -2.074   1.666 -22.415
  442    HG2  LYS  54           HG2      LYS  54  -0.186   1.742 -20.762
  443    HG3  LYS  54           HG3      LYS  54  -0.853   0.310 -19.960
  444    HD2  LYS  54           HD2      LYS  54  -0.595  -0.982 -22.066
  445    HD3  LYS  54           HD3      LYS  54   0.107   0.429 -22.862
  446    HE2  LYS  54           HE2      LYS  54   1.257  -0.960 -20.393
  447    HE3  LYS  54           HE3      LYS  54   1.776  -1.270 -22.050
  448    HZ1  LYS  54           HZ1      LYS  54   2.488   1.043 -22.204
  449    HZ2  LYS  54           HZ2      LYS  54   2.033   1.331 -20.657
  450    HZ3  LYS  54           HZ3      LYS  54   3.242   0.290 -20.975
  451    H    THR  55           H        THR  55  -4.159   3.950 -19.289
  452    HA   THR  55           HA       THR  55  -2.187   6.073 -19.942
  453    HB   THR  55           HB       THR  55  -4.459   7.477 -20.024
  454    HG1  THR  55           HG1      THR  55  -6.106   6.273 -20.909
  455   HG21  THR  55          HG21      THR  55  -4.564   7.111 -22.451
  456   HG22  THR  55          HG22      THR  55  -2.885   7.238 -21.905
  457   HG23  THR  55          HG23      THR  55  -3.571   5.647 -22.290
  458    H    SER  56           H        SER  56  -2.558   4.332 -17.547
  459    HA   SER  56           HA       SER  56  -2.538   4.436 -15.303
  460    HB2  SER  56           HB2      SER  56  -1.069   7.015 -15.919
  461    HB3  SER  56           HB3      SER  56  -0.827   5.936 -14.530
  462    HG   SER  56           HG       SER  56   0.722   5.599 -16.194
  463    H    THR  57           H        THR  57  -5.077   5.372 -16.088
  464    HA   THR  57           HA       THR  57  -5.718   7.206 -13.843
  465    HB   THR  57           HB       THR  57  -6.946   7.249 -16.625
  466    HG1  THR  57           HG1      THR  57  -4.854   8.066 -16.664
  467   HG21  THR  57          HG21      THR  57  -7.885   9.456 -15.871
  468   HG22  THR  57          HG22      THR  57  -8.562   8.074 -15.016
  469   HG23  THR  57          HG23      THR  57  -7.331   9.085 -14.222
  470    H    ILE  58           H        ILE  58  -8.048   6.835 -13.157
  471    HA   ILE  58           HA       ILE  58  -8.961   4.057 -13.683
  472    HB   ILE  58           HB       ILE  58  -8.510   5.411 -11.007
  473   HG12  ILE  58          HG12      ILE  58  -7.392   2.943 -12.402
  474   HG13  ILE  58          HG13      ILE  58  -6.523   4.394 -11.903
  475   HG21  ILE  58          HG21      ILE  58  -9.542   3.445  -9.928
  476   HG22  ILE  58          HG22      ILE  58 -10.706   4.295 -10.914
  477   HG23  ILE  58          HG23      ILE  58  -9.975   2.798 -11.532
  478   HD11  ILE  58          HD11      ILE  58  -5.933   2.631 -10.413
  479   HD12  ILE  58          HD12      ILE  58  -6.966   3.757  -9.503
  480   HD13  ILE  58          HD13      ILE  58  -7.625   2.211 -10.109
  481    H    GLU  59           H        GLU  59 -11.062   3.745 -13.718
  482    HA   GLU  59           HA       GLU  59 -12.958   6.039 -13.581
  483    HB2  GLU  59           HB2      GLU  59 -13.102   3.377 -15.069
  484    HB3  GLU  59           HB3      GLU  59 -14.383   4.594 -15.034
  485    HG2  GLU  59           HG2      GLU  59 -12.967   6.189 -16.235
  486    HG3  GLU  59           HG3      GLU  59 -11.607   5.060 -16.221
  487    H    GLU  60           H        GLU  60 -14.898   5.507 -12.373
  488    HA   GLU  60           HA       GLU  60 -14.635   3.155 -10.545
  489    HB2  GLU  60           HB2      GLU  60 -15.334   6.041  -9.854
  490    HB3  GLU  60           HB3      GLU  60 -15.488   4.661  -8.762
  491    HG2  GLU  60           HG2      GLU  60 -13.013   4.204  -9.131
  492    HG3  GLU  60           HG3      GLU  60 -12.916   5.744  -9.988
  493    H    LYS  61           H        LYS  61 -16.079   1.910 -11.650
  494    HA   LYS  61           HA       LYS  61 -18.709   3.093 -12.436
  495    HB2  LYS  61           HB2      LYS  61 -17.445   1.924 -14.166
  496    HB3  LYS  61           HB3      LYS  61 -17.313   0.484 -13.152
  497    HG2  LYS  61           HG2      LYS  61 -19.745   0.155 -13.229
  498    HG3  LYS  61           HG3      LYS  61 -19.953   1.628 -14.169
  499    HD2  LYS  61           HD2      LYS  61 -18.201  -0.700 -15.090
  500    HD3  LYS  61           HD3      LYS  61 -19.919  -0.659 -15.420
  501    HE2  LYS  61           HE2      LYS  61 -17.923   1.472 -16.318
  502    HE3  LYS  61           HE3      LYS  61 -18.537   0.155 -17.322
  503    HZ1  LYS  61           HZ1      LYS  61 -19.773   2.168 -17.731
  504    HZ2  LYS  61           HZ2      LYS  61 -20.774   1.053 -17.059
  505    HZ3  LYS  61           HZ3      LYS  61 -20.212   2.299 -16.160
  506    H    THR  62           H        THR  62 -20.347   2.862 -10.924
  507    HA   THR  62           HA       THR  62 -20.138   0.986  -8.751
  508    HB   THR  62           HB       THR  62 -22.641   2.419  -9.722
  509    HG1  THR  62           HG1      THR  62 -21.870   4.235  -8.965
  510   HG21  THR  62          HG21      THR  62 -23.161   2.488  -7.308
  511   HG22  THR  62          HG22      THR  62 -22.875   0.814  -7.811
  512   HG23  THR  62          HG23      THR  62 -21.609   1.700  -6.936
  513    H    VAL  63           H        VAL  63 -20.865  -1.067  -8.623
  514    HA   VAL  63           HA       VAL  63 -22.472  -2.202 -10.874
  515    HB   VAL  63           HB       VAL  63 -20.915  -4.083 -10.896
  516   HG11  VAL  63          HG11      VAL  63 -19.517  -1.521 -11.702
  517   HG12  VAL  63          HG12      VAL  63 -19.268  -3.136 -12.382
  518   HG13  VAL  63          HG13      VAL  63 -20.812  -2.308 -12.630
  519   HG21  VAL  63          HG21      VAL  63 -18.613  -3.919 -10.097
  520   HG22  VAL  63          HG22      VAL  63 -18.934  -2.320  -9.402
  521   HG23  VAL  63          HG23      VAL  63 -19.728  -3.765  -8.735
  522    H    GLU  64           H        GLU  64 -23.390  -4.262 -10.457
  523    HA   GLU  64           HA       GLU  64 -23.679  -5.001  -7.570
  524    HB2  GLU  64           HB2      GLU  64 -25.809  -4.367  -8.661
  525    HB3  GLU  64           HB3      GLU  64 -25.541  -5.593  -9.905
  526    HG2  GLU  64           HG2      GLU  64 -25.579  -7.359  -8.141
  527    HG3  GLU  64           HG3      GLU  64 -25.817  -6.110  -6.915
  528    H    VAL  65           H        VAL  65 -22.670  -6.916  -7.084
  529    HA   VAL  65           HA       VAL  65 -21.389  -8.416  -9.310
  530    HB   VAL  65           HB       VAL  65 -20.757  -8.543  -6.336
  531   HG11  VAL  65          HG11      VAL  65 -19.265  -9.402  -8.861
  532   HG12  VAL  65          HG12      VAL  65 -18.613  -9.506  -7.214
  533   HG13  VAL  65          HG13      VAL  65 -20.012 -10.489  -7.668
  534   HG21  VAL  65          HG21      VAL  65 -20.279  -6.245  -7.048
  535   HG22  VAL  65          HG22      VAL  65 -18.765  -7.130  -6.891
  536   HG23  VAL  65          HG23      VAL  65 -19.449  -6.836  -8.506
  537    H    LEU  66           H        LEU  66 -22.504 -10.133  -9.959
  538    HA   LEU  66           HA       LEU  66 -24.893 -10.926  -8.500
  539    HB2  LEU  66           HB2      LEU  66 -23.663 -11.572 -11.186
  540    HB3  LEU  66           HB3      LEU  66 -24.910 -12.626 -10.531
  541    HG   LEU  66           HG       LEU  66 -26.494 -10.773 -10.361
  542   HD11  LEU  66          HD11      LEU  66 -25.016  -8.835 -10.053
  543   HD12  LEU  66          HD12      LEU  66 -24.332  -9.068 -11.677
  544   HD13  LEU  66          HD13      LEU  66 -26.037  -8.604 -11.462
  545   HD21  LEU  66          HD21      LEU  66 -26.394 -12.140 -12.412
  546   HD22  LEU  66          HD22      LEU  66 -26.859 -10.474 -12.787
  547   HD23  LEU  66          HD23      LEU  66 -25.201 -11.026 -13.111
  548    H    GLY  67           H        GLY  67 -21.638 -12.310  -8.964
  549    HA2  GLY  67           HA2      GLY  67 -21.498 -14.063  -6.909
  550    HA3  GLY  67           HA3      GLY  67 -22.380 -14.979  -8.154
  551    H    MET  68           H        MET  68 -20.156 -16.137  -7.783
  552    HA   MET  68           HA       MET  68 -17.841 -15.150  -9.223
  553    HB2  MET  68           HB2      MET  68 -18.712 -17.983  -8.508
  554    HB3  MET  68           HB3      MET  68 -17.173 -17.555  -9.249
  555    HG2  MET  68           HG2      MET  68 -18.124 -16.617  -6.524
  556    HG3  MET  68           HG3      MET  68 -16.970 -17.910  -6.823
  557    HE1  MET  68           HE1      MET  68 -14.507 -17.609  -7.645
  558    HE2  MET  68           HE2      MET  68 -15.062 -16.789  -9.127
  559    HE3  MET  68           HE3      MET  68 -13.805 -16.049  -8.126
  560    H    ALA  69           H        ALA  69 -17.122 -15.751 -11.285
  561    HA   ALA  69           HA       ALA  69 -19.101 -16.082 -13.389
  562    HB1  ALA  69           HB1      ALA  69 -17.126 -16.023 -14.833
  563    HB2  ALA  69           HB2      ALA  69 -16.936 -14.805 -13.574
  564    HB3  ALA  69           HB3      ALA  69 -16.078 -16.366 -13.451
  565    HA   PRO  70           HA       PRO  70 -19.144 -20.553 -13.887
  566    HB2  PRO  70           HB2      PRO  70 -17.680 -20.180 -16.506
  567    HB3  PRO  70           HB3      PRO  70 -19.084 -21.233 -16.142
  568    HG2  PRO  70           HG2      PRO  70 -19.474 -18.862 -17.382
  569    HG3  PRO  70           HG3      PRO  70 -20.561 -19.345 -16.037
  570    HD2  PRO  70           HD2      PRO  70 -18.196 -17.474 -15.971
  571    HD3  PRO  70           HD3      PRO  70 -19.809 -17.264 -15.222
  572    H    ASP  71           H        ASP  71 -17.826 -22.327 -13.448
  573    HA   ASP  71           HA       ASP  71 -15.304 -21.858 -12.309
  574    HB2  ASP  71           HB2      ASP  71 -15.150 -24.143 -11.915
  575    HB3  ASP  71           HB3      ASP  71 -16.873 -23.809 -11.854
  576    H    ASP  72           H        ASP  72 -16.175 -22.640 -15.640
  577    HA   ASP  72           HA       ASP  72 -13.598 -23.494 -16.544
  578    HB2  ASP  72           HB2      ASP  72 -15.671 -23.895 -17.802
  579    HB3  ASP  72           HB3      ASP  72 -15.878 -22.158 -18.051
  580    H    GLU  73           H        GLU  73 -15.016 -20.257 -16.066
  581    HA   GLU  73           HA       GLU  73 -12.796 -18.843 -17.382
  582    HB2  GLU  73           HB2      GLU  73 -14.901 -17.833 -15.406
  583    HB3  GLU  73           HB3      GLU  73 -13.792 -16.843 -16.334
  584    HG2  GLU  73           HG2      GLU  73 -16.064 -18.546 -17.427
  585    HG3  GLU  73           HG3      GLU  73 -16.024 -16.794 -17.303
  586    H    CYS  74           H        CYS  74 -13.849 -19.840 -14.126
  587    HA   CYS  74           HA       CYS  74 -11.797 -18.384 -12.796
  588    HB2  CYS  74           HB2      CYS  74 -13.659 -20.532 -11.736
  589    HB3  CYS  74           HB3      CYS  74 -12.656 -19.443 -10.764
  590    HG   CYS  74           HG       CYS  74 -15.150 -18.777 -12.832
  591    H    LEU  75           H        LEU  75 -11.007 -20.730 -14.701
  592    HA   LEU  75           HA       LEU  75  -9.395 -22.472 -12.989
  593    HB2  LEU  75           HB2      LEU  75  -9.444 -21.999 -16.002
  594    HB3  LEU  75           HB3      LEU  75  -8.380 -23.156 -15.212
  595    HG   LEU  75           HG       LEU  75 -11.415 -23.289 -15.188
  596   HD11  LEU  75          HD11      LEU  75 -11.120 -25.226 -16.664
  597   HD12  LEU  75          HD12      LEU  75 -10.443 -23.762 -17.391
  598   HD13  LEU  75          HD13      LEU  75  -9.359 -24.973 -16.668
  599   HD21  LEU  75          HD21      LEU  75  -9.338 -25.237 -14.081
  600   HD22  LEU  75          HD22      LEU  75 -10.532 -24.320 -13.142
  601   HD23  LEU  75          HD23      LEU  75 -11.078 -25.573 -14.244
  602    H    LYS  76           H        LYS  76  -9.052 -19.240 -14.170
  603    HA   LYS  76           HA       LYS  76  -6.122 -19.353 -13.621
  604    HB2  LYS  76           HB2      LYS  76  -5.724 -17.897 -15.509
  605    HB3  LYS  76           HB3      LYS  76  -6.481 -19.408 -16.017
  606    HG2  LYS  76           HG2      LYS  76  -8.680 -18.227 -16.195
  607    HG3  LYS  76           HG3      LYS  76  -7.886 -16.711 -15.722
  608    HD2  LYS  76           HD2      LYS  76  -6.420 -16.856 -17.713
  609    HD3  LYS  76           HD3      LYS  76  -7.206 -18.382 -18.182
  610    HE2  LYS  76           HE2      LYS  76  -9.392 -17.200 -18.333
  611    HE3  LYS  76           HE3      LYS  76  -8.602 -15.685 -17.876
  612    HZ1  LYS  76           HZ1      LYS  76  -8.017 -17.232 -20.335
  613    HZ2  LYS  76           HZ2      LYS  76  -8.874 -15.849 -20.264
  614    HZ3  LYS  76           HZ3      LYS  76  -7.285 -15.833 -19.908
  615    H    ASP  77           H        ASP  77  -9.116 -17.500 -13.203
  616    HA   ASP  77           HA       ASP  77  -7.724 -15.816 -11.240
  617    HB2  ASP  77           HB2      ASP  77  -7.338 -14.539 -13.318
  618    HB3  ASP  77           HB3      ASP  77  -9.048 -14.643 -13.722
  619    H    MET  78           H        MET  78  -9.291 -14.828  -9.793
  620    HA   MET  78           HA       MET  78 -11.848 -16.215  -9.666
  621    HB2  MET  78           HB2      MET  78 -10.323 -14.269  -7.925
  622    HB3  MET  78           HB3      MET  78 -12.024 -14.591  -7.619
  623    HG2  MET  78           HG2      MET  78 -10.477 -15.961  -6.272
  624    HG3  MET  78           HG3      MET  78 -11.680 -16.874  -7.165
  625    HE1  MET  78           HE1      MET  78 -10.885 -18.147  -9.685
  626    HE2  MET  78           HE2      MET  78  -9.733 -19.393  -9.183
  627    HE3  MET  78           HE3      MET  78 -11.161 -19.066  -8.184
  628    H    TYR  79           H        TYR  79 -12.676 -15.527 -11.690
  629    HA   TYR  79           HA       TYR  79 -13.384 -12.736 -12.139
  630    HB2  TYR  79           HB2      TYR  79 -14.119 -15.370 -13.465
  631    HB3  TYR  79           HB3      TYR  79 -14.753 -13.821 -13.993
  632    HD1  TYR  79           HD2      TYR  79 -13.067 -11.994 -14.729
  633    HD2  TYR  79           HD1      TYR  79 -12.081 -16.176 -14.344
  634    HE1  TYR  79           HE2      TYR  79 -11.195 -11.692 -16.317
  635    HE2  TYR  79           HE1      TYR  79 -10.228 -15.897 -15.945
  636    HH   TYR  79           HH       TYR  79  -9.434 -12.725 -17.452
  637    H    VAL  80           H        VAL  80 -15.495 -11.872 -12.017
  638    HA   VAL  80           HA       VAL  80 -17.620 -13.513 -10.720
  639    HB   VAL  80           HB       VAL  80 -18.252 -11.404  -9.524
  640   HG11  VAL  80          HG11      VAL  80 -16.616 -11.677  -7.706
  641   HG12  VAL  80          HG12      VAL  80 -17.159 -13.229  -8.341
  642   HG13  VAL  80          HG13      VAL  80 -15.556 -12.610  -8.786
  643   HG21  VAL  80          HG21      VAL  80 -15.426 -10.447 -10.177
  644   HG22  VAL  80          HG22      VAL  80 -16.921  -9.757 -10.849
  645   HG23  VAL  80          HG23      VAL  80 -16.602  -9.658  -9.114
  646    H    GLU  81           H        GLU  81 -19.731 -13.030 -11.334
  647    HA   GLU  81           HA       GLU  81 -20.084 -11.702 -13.965
  648    HB2  GLU  81           HB2      GLU  81 -22.048 -13.043 -12.043
  649    HB3  GLU  81           HB3      GLU  81 -22.485 -12.286 -13.585
  650    HG2  GLU  81           HG2      GLU  81 -20.876 -13.891 -14.722
  651    HG3  GLU  81           HG3      GLU  81 -20.718 -14.717 -13.168
  652    H    VAL  82           H        VAL  82 -21.042  -9.661 -14.158
  653    HA   VAL  82           HA       VAL  82 -21.701  -8.220 -11.665
  654    HB   VAL  82           HB       VAL  82 -19.256  -8.163 -11.979
  655   HG11  VAL  82          HG11      VAL  82 -19.013  -8.412 -14.389
  656   HG12  VAL  82          HG12      VAL  82 -19.793  -6.837 -14.672
  657   HG13  VAL  82          HG13      VAL  82 -18.237  -6.920 -13.858
  658   HG21  VAL  82          HG21      VAL  82 -20.511  -5.486 -12.577
  659   HG22  VAL  82          HG22      VAL  82 -20.384  -6.263 -10.971
  660   HG23  VAL  82          HG23      VAL  82 -18.918  -5.782 -11.844
  661    H    ALA  83           H        ALA  83 -23.201  -6.617 -11.977
  662    HA   ALA  83           HA       ALA  83 -24.161  -6.143 -14.770
  663    HB1  ALA  83           HB1      ALA  83 -25.665  -5.952 -12.132
  664    HB2  ALA  83           HB2      ALA  83 -26.316  -5.563 -13.737
  665    HB3  ALA  83           HB3      ALA  83 -25.845  -7.229 -13.356
  666    H    ASP  84           H        ASP  84 -24.108  -4.087 -15.510
  667    HA   ASP  84           HA       ASP  84 -22.646  -2.093 -13.945
  668    HB2  ASP  84           HB2      ASP  84 -22.095  -2.502 -16.285
  669    HB3  ASP  84           HB3      ASP  84 -23.740  -2.055 -16.770
  670    H    ILE  85           H        ILE  85 -24.411  -2.029 -12.317
  671    HA   ILE  85           HA       ILE  85 -26.906  -0.778 -12.916
  672    HB   ILE  85           HB       ILE  85 -27.173  -0.438 -10.558
  673   HG12  ILE  85          HG12      ILE  85 -24.256  -1.202 -10.220
  674   HG13  ILE  85          HG13      ILE  85 -24.928   0.405  -9.972
  675   HG21  ILE  85          HG21      ILE  85 -27.405  -2.723 -11.610
  676   HG22  ILE  85          HG22      ILE  85 -25.793  -3.122 -10.981
  677   HG23  ILE  85          HG23      ILE  85 -27.125  -2.735  -9.873
  678   HD11  ILE  85          HD11      ILE  85 -24.616  -0.660  -7.821
  679   HD12  ILE  85          HD12      ILE  85 -26.357  -0.506  -8.128
  680   HD13  ILE  85          HD13      ILE  85 -25.538  -2.077  -8.315
  681    H    GLY  86           H        GLY  86 -23.892   0.602 -13.317
  682    HA2  GLY  86           HA2      GLY  86 -24.758   3.366 -12.666
  683    HA3  GLY  86           HA3      GLY  86 -23.132   2.806 -13.077
  684    H    GLY  87           H        GLY  87 -24.581   1.151 -15.383
  685    HA2  GLY  87           HA2      GLY  87 -24.966   3.424 -17.295
  686    HA3  GLY  87           HA3      GLY  87 -23.636   2.280 -17.476
  687    H    LYS  88           H        LYS  88 -25.862   0.147 -16.506
  688    HA   LYS  88           HA       LYS  88 -27.423   0.027 -19.048
  689    HB2  LYS  88           HB2      LYS  88 -25.931  -2.333 -17.814
  690    HB3  LYS  88           HB3      LYS  88 -27.042  -2.414 -19.169
  691    HG2  LYS  88           HG2      LYS  88 -24.385  -0.930 -19.183
  692    HG3  LYS  88           HG3      LYS  88 -24.635  -2.560 -19.782
  693    HD2  LYS  88           HD2      LYS  88 -26.111  -0.150 -20.899
  694    HD3  LYS  88           HD3      LYS  88 -24.571  -0.692 -21.528
  695    HE2  LYS  88           HE2      LYS  88 -27.049  -2.480 -21.423
  696    HE3  LYS  88           HE3      LYS  88 -26.651  -1.426 -22.776
  697    HZ1  LYS  88           HZ1      LYS  88 -25.799  -3.489 -23.338
  698    HZ2  LYS  88           HZ2      LYS  88 -24.474  -2.658 -22.895
  699    HZ3  LYS  88           HZ3      LYS  88 -25.118  -3.808 -21.907
  700    H    ASP  89           H        ASP  89 -26.906  -1.229 -15.768
  701    HA   ASP  89           HA       ASP  89 -28.124  -2.017 -14.140
  702    HB2  ASP  89           HB2      ASP  89 -29.188   0.172 -14.210
  703    HB3  ASP  89           HB3      ASP  89 -30.384  -0.418 -15.367
  704    H    ASP  90           H        ASP  90 -29.490  -2.687 -17.275
  705    HA   ASP  90           HA       ASP  90 -30.895  -5.102 -16.260
  706    HB2  ASP  90           HB2      ASP  90 -32.158  -3.241 -17.367
  707    HB3  ASP  90           HB3      ASP  90 -31.185  -3.503 -18.818
  708    H    ASP  91           H        ASP  91 -27.916  -4.573 -17.266
  709    HA   ASP  91           HA       ASP  91 -27.758  -7.029 -18.937
  710    HB2  ASP  91           HB2      ASP  91 -27.607  -4.931 -20.369
  711    HB3  ASP  91           HB3      ASP  91 -26.117  -4.567 -19.468
  712    H    VAL  92           H        VAL  92 -25.612  -7.911 -18.985
  713    HA   VAL  92           HA       VAL  92 -24.119  -7.547 -16.435
  714    HB   VAL  92           HB       VAL  92 -25.155 -10.169 -17.589
  715   HG11  VAL  92          HG11      VAL  92 -23.107 -10.499 -16.244
  716   HG12  VAL  92          HG12      VAL  92 -23.861  -9.636 -14.882
  717   HG13  VAL  92          HG13      VAL  92 -24.515 -11.185 -15.451
  718   HG21  VAL  92          HG21      VAL  92 -27.087  -8.970 -16.719
  719   HG22  VAL  92          HG22      VAL  92 -26.664 -10.249 -15.591
  720   HG23  VAL  92          HG23      VAL  92 -26.214  -8.571 -15.223
  721    H    TYR  93           H        TYR  93 -22.010  -8.193 -16.457
  722    HA   TYR  93           HA       TYR  93 -20.669  -9.133 -18.926
  723    HB2  TYR  93           HB2      TYR  93 -19.717  -6.851 -17.140
  724    HB3  TYR  93           HB3      TYR  93 -18.928  -7.446 -18.588
  725    HD1  TYR  93           HD1      TYR  93 -19.920  -7.007 -20.857
  726    HD2  TYR  93           HD2      TYR  93 -21.499  -5.224 -17.256
  727    HE1  TYR  93           HE1      TYR  93 -21.007  -5.240 -22.212
  728    HE2  TYR  93           HE2      TYR  93 -22.601  -3.469 -18.598
  729    HH   TYR  93           HH       TYR  93 -22.760  -2.492 -20.723
  730    H    THR  94           H        THR  94 -18.102  -9.194 -17.881
  731    HA   THR  94           HA       THR  94 -18.253 -10.612 -15.277
  732    HB   THR  94           HB       THR  94 -16.468 -11.375 -17.621
  733    HG1  THR  94           HG1      THR  94 -18.620 -11.901 -18.044
  734   HG21  THR  94          HG21      THR  94 -15.509 -11.995 -15.433
  735   HG22  THR  94          HG22      THR  94 -17.029 -12.792 -14.978
  736   HG23  THR  94          HG23      THR  94 -16.043 -13.433 -16.311
  737    H    ALA  95           H        ALA  95 -16.489 -10.141 -13.908
  738    HA   ALA  95           HA       ALA  95 -14.440  -8.205 -14.845
  739    HB1  ALA  95           HB1      ALA  95 -14.714  -6.936 -12.684
  740    HB2  ALA  95           HB2      ALA  95 -16.083  -6.775 -13.776
  741    HB3  ALA  95           HB3      ALA  95 -16.196  -7.862 -12.370
  742    H    LYS  96           H        LYS  96 -12.617  -8.105 -13.392
  743    HA   LYS  96           HA       LYS  96 -11.937 -10.703 -12.175
  744    HB2  LYS  96           HB2      LYS  96 -10.244  -8.179 -11.995
  745    HB3  LYS  96           HB3      LYS  96  -9.758  -9.860 -11.911
  746    HG2  LYS  96           HG2      LYS  96  -9.024  -9.421 -14.024
  747    HG3  LYS  96           HG3      LYS  96 -10.670  -9.899 -14.439
  748    HD2  LYS  96           HD2      LYS  96 -11.215  -7.323 -14.200
  749    HD3  LYS  96           HD3      LYS  96  -9.479  -7.091 -14.233
  750    HE2  LYS  96           HE2      LYS  96 -11.127  -8.500 -16.393
  751    HE3  LYS  96           HE3      LYS  96 -10.650  -6.807 -16.443
  752    HZ1  LYS  96           HZ1      LYS  96  -8.325  -7.511 -16.473
  753    HZ2  LYS  96           HZ2      LYS  96  -8.754  -9.090 -16.445
  754    HZ3  LYS  96           HZ3      LYS  96  -9.134  -8.160 -17.725
  755    H    LEU  97           H        LEU  97 -12.327 -11.082  -9.944
  756    HA   LEU  97           HA       LEU  97 -13.495  -9.083  -8.270
  757    HB2  LEU  97           HB2      LEU  97 -13.607 -11.528  -7.836
  758    HB3  LEU  97           HB3      LEU  97 -11.867 -11.550  -7.525
  759    HG   LEU  97           HG       LEU  97 -12.181 -10.077  -5.558
  760   HD11  LEU  97          HD11      LEU  97 -14.172  -8.791  -6.185
  761   HD12  LEU  97          HD12      LEU  97 -15.153 -10.273  -6.262
  762   HD13  LEU  97          HD13      LEU  97 -14.527  -9.681  -4.715
  763   HD21  LEU  97          HD21      LEU  97 -13.200 -11.755  -4.131
  764   HD22  LEU  97          HD22      LEU  97 -14.037 -12.485  -5.520
  765   HD23  LEU  97          HD23      LEU  97 -12.263 -12.559  -5.387
  766    H    SER  98           H        SER  98 -10.166 -10.020  -8.971
  767    HA   SER  98           HA       SER  98  -8.578  -8.594  -7.274
  768    HB2  SER  98           HB2      SER  98  -8.262  -8.902 -10.285
  769    HB3  SER  98           HB3      SER  98  -6.970  -8.818  -9.084
  770    HG   SER  98           HG       SER  98  -7.656 -10.995  -9.870
  771    H    ASP  99           H        ASP  99 -10.800  -7.148  -9.593
  772    HA   ASP  99           HA       ASP  99  -9.331  -4.575  -9.458
  773    HB2  ASP  99           HB2      ASP  99  -9.316  -5.921 -11.657
  774    HB3  ASP  99           HB3      ASP  99 -11.031  -5.522 -11.787
  775    H    ILE 100           H        ILE 100 -11.716  -5.869  -7.978
  776    HA   ILE 100           HA       ILE 100 -13.559  -3.529  -8.186
  777    HB   ILE 100           HB       ILE 100 -14.028  -6.458  -8.101
  778   HG12  ILE 100          HG12      ILE 100 -15.723  -4.108  -9.039
  779   HG13  ILE 100          HG13      ILE 100 -14.479  -4.900 -10.028
  780   HG21  ILE 100          HG21      ILE 100 -16.017  -4.704  -6.619
  781   HG22  ILE 100          HG22      ILE 100 -16.181  -6.429  -7.001
  782   HG23  ILE 100          HG23      ILE 100 -14.952  -5.919  -5.866
  783   HD11  ILE 100          HD11      ILE 100 -15.789  -7.047  -9.807
  784   HD12  ILE 100          HD12      ILE 100 -17.083  -6.092  -9.031
  785   HD13  ILE 100          HD13      ILE 100 -16.609  -5.743 -10.699
  786    H    GLU 101           H        GLU 101 -14.437  -2.755  -6.397
  787    HA   GLU 101           HA       GLU 101 -13.173  -3.337  -3.751
  788    HB2  GLU 101           HB2      GLU 101 -12.638  -1.081  -4.467
  789    HB3  GLU 101           HB3      GLU 101 -14.301  -0.786  -4.985
  790    HG2  GLU 101           HG2      GLU 101 -15.082  -0.929  -2.636
  791    HG3  GLU 101           HG3      GLU 101 -13.438  -1.286  -2.109
  792    H    ALA 102           H        ALA 102 -14.639  -4.375  -2.424
  793    HA   ALA 102           HA       ALA 102 -17.412  -4.683  -3.313
  794    HB1  ALA 102           HB1      ALA 102 -17.573  -6.205  -1.428
  795    HB2  ALA 102           HB2      ALA 102 -16.094  -6.543  -2.343
  796    HB3  ALA 102           HB3      ALA 102 -15.999  -5.673  -0.793
  797    H    ILE 103           H        ILE 103 -19.157  -3.719  -2.415
  798    HA   ILE 103           HA       ILE 103 -18.835  -1.871  -0.092
  799    HB   ILE 103           HB       ILE 103 -20.163  -1.470  -2.785
  800   HG12  ILE 103          HG12      ILE 103 -18.110   0.246  -1.318
  801   HG13  ILE 103          HG13      ILE 103 -17.703  -0.950  -2.547
  802   HG21  ILE 103          HG21      ILE 103 -20.463   0.340  -0.345
  803   HG22  ILE 103          HG22      ILE 103 -21.077   0.679  -1.979
  804   HG23  ILE 103          HG23      ILE 103 -21.751  -0.652  -1.069
  805   HD11  ILE 103          HD11      ILE 103 -19.071   0.252  -4.211
  806   HD12  ILE 103          HD12      ILE 103 -19.333   1.557  -3.024
  807   HD13  ILE 103          HD13      ILE 103 -17.697   1.186  -3.578
  808    H    ASP 104           H        ASP 104 -20.507  -1.906   1.372
  809    HA   ASP 104           HA       ASP 104 -22.220  -2.660   2.562
  810    HB2  ASP 104           HB2      ASP 104 -23.417  -1.448   0.756
  811    HB3  ASP 104           HB3      ASP 104 -23.667  -2.979  -0.082
  812    H    VAL 105           H        VAL 105 -20.276  -4.706   1.550
  813    HA   VAL 105           HA       VAL 105 -21.775  -7.207   1.464
  814    HB   VAL 105           HB       VAL 105 -19.368  -8.140   1.751
  815   HG11  VAL 105          HG11      VAL 105 -20.126  -6.521  -0.692
  816   HG12  VAL 105          HG12      VAL 105 -18.942  -7.855  -0.627
  817   HG13  VAL 105          HG13      VAL 105 -20.642  -8.180  -0.278
  818   HG21  VAL 105          HG21      VAL 105 -17.519  -6.776   1.196
  819   HG22  VAL 105          HG22      VAL 105 -18.525  -5.340   0.911
  820   HG23  VAL 105          HG23      VAL 105 -18.337  -5.994   2.559
  821    H    ASP 106           H        ASP 106 -21.243  -8.956   2.938
  822    HA   ASP 106           HA       ASP 106 -21.527  -8.242   5.775
  823    HB2  ASP 106           HB2      ASP 106 -22.623 -10.253   4.865
  824    HB3  ASP 106           HB3      ASP 106 -21.045 -10.896   4.369
  825    H    ASP 107           H        ASP 107 -19.905  -8.968   7.349
  826    HA   ASP 107           HA       ASP 107 -17.265  -8.048   6.804
  827    HB2  ASP 107           HB2      ASP 107 -18.231  -8.087   9.050
  828    HB3  ASP 107           HB3      ASP 107 -18.336  -9.849   9.008
  829    H    ASP 108           H        ASP 108 -18.579 -11.447   6.812
  830    HA   ASP 108           HA       ASP 108 -15.892 -12.506   6.530
  831    HB2  ASP 108           HB2      ASP 108 -18.016 -13.671   7.492
  832    HB3  ASP 108           HB3      ASP 108 -18.412 -14.014   5.798
  833    H    THR 109           H        THR 109 -18.369 -11.364   4.345
  834    HA   THR 109           HA       THR 109 -17.302 -12.573   1.908
  835    HB   THR 109           HB       THR 109 -19.251 -10.302   2.478
  836    HG1  THR 109           HG1      THR 109 -19.797 -12.550   2.976
  837   HG21  THR 109          HG21      THR 109 -19.986 -10.429   0.176
  838   HG22  THR 109          HG22      THR 109 -18.259 -10.017   0.196
  839   HG23  THR 109          HG23      THR 109 -18.787 -11.666  -0.190
  840    H    GLN 110           H        GLN 110 -17.160  -9.290   3.501
  841    HA   GLN 110           HA       GLN 110 -15.389  -8.137   1.660
  842    HB2  GLN 110           HB2      GLN 110 -16.748  -7.166   3.723
  843    HB3  GLN 110           HB3      GLN 110 -15.276  -7.471   4.623
  844    HG2  GLN 110           HG2      GLN 110 -15.534  -5.746   2.112
  845    HG3  GLN 110           HG3      GLN 110 -15.470  -5.142   3.758
  846   HE21  GLN 110          HE22      GLN 110 -13.575  -5.719   1.016
  847   HE22  GLN 110          HE21      GLN 110 -12.012  -5.731   1.786
  848    H    GLU 111           H        GLU 111 -14.662  -9.948   4.706
  849    HA   GLU 111           HA       GLU 111 -11.859  -9.645   4.569
  850    HB2  GLU 111           HB2      GLU 111 -13.665 -11.726   5.850
  851    HB3  GLU 111           HB3      GLU 111 -11.916 -11.776   6.035
  852    HG2  GLU 111           HG2      GLU 111 -13.556  -9.310   6.787
  853    HG3  GLU 111           HG3      GLU 111 -13.232 -10.633   7.899
  854    H    ALA 112           H        ALA 112 -13.976 -12.115   3.013
  855    HA   ALA 112           HA       ALA 112 -11.790 -13.775   2.144
  856    HB1  ALA 112           HB1      ALA 112 -13.420 -14.744   0.590
  857    HB2  ALA 112           HB2      ALA 112 -14.134 -14.553   2.199
  858    HB3  ALA 112           HB3      ALA 112 -14.556 -13.413   0.899
  859    H    ILE 113           H        ILE 113 -13.509 -11.001   0.658
  860    HA   ILE 113           HA       ILE 113 -12.102 -11.091  -1.840
  861    HB   ILE 113           HB       ILE 113 -13.606  -8.856  -0.410
  862   HG12  ILE 113          HG12      ILE 113 -14.496 -10.679  -2.692
  863   HG13  ILE 113          HG13      ILE 113 -14.881 -10.985  -1.023
  864   HG21  ILE 113          HG21      ILE 113 -12.105  -7.845  -2.064
  865   HG22  ILE 113          HG22      ILE 113 -12.644  -8.992  -3.303
  866   HG23  ILE 113          HG23      ILE 113 -13.756  -7.765  -2.657
  867   HD11  ILE 113          HD11      ILE 113 -16.016  -8.725  -0.922
  868   HD12  ILE 113          HD12      ILE 113 -15.848  -8.679  -2.703
  869   HD13  ILE 113          HD13      ILE 113 -16.786  -9.965  -1.932
  870    H    ALA 114           H        ALA 114 -11.567  -9.218   1.204
  871    HA   ALA 114           HA       ALA 114  -9.278  -7.793   0.341
  872    HB1  ALA 114           HB1      ALA 114  -9.971  -8.813   3.133
  873    HB2  ALA 114           HB2      ALA 114  -8.805  -7.535   2.741
  874    HB3  ALA 114           HB3      ALA 114 -10.531  -7.284   2.418
  875    H    ASP 115           H        ASP 115  -9.598 -11.058   1.830
  876    HA   ASP 115           HA       ASP 115  -6.787 -11.471   2.064
  877    HB2  ASP 115           HB2      ASP 115  -8.468 -12.725   3.367
  878    HB3  ASP 115           HB3      ASP 115  -9.006 -13.542   1.887
  879    H    TRP 116           H        TRP 116  -9.104 -12.261  -0.564
  880    HA   TRP 116           HA       TRP 116  -7.256 -13.639  -2.262
  881    HB2  TRP 116           HB2      TRP 116  -9.567 -13.730  -2.840
  882    HB3  TRP 116           HB3      TRP 116  -9.746 -11.982  -2.786
  883    HD1  TRP 116           HD1      TRP 116  -9.524 -10.708  -4.994
  884    HE1  TRP 116           HE1      TRP 116  -8.642 -11.200  -7.366
  885    HE3  TRP 116           HE3      TRP 116  -7.693 -15.416  -4.237
  886    HZ2  TRP 116           HZ2      TRP 116  -7.315 -13.342  -8.735
  887    HZ3  TRP 116           HZ3      TRP 116  -6.635 -16.673  -6.088
  888    HH2  TRP 116           HH2      TRP 116  -6.422 -15.637  -8.343
  889    H    LEU 117           H        LEU 117  -8.050 -10.132  -1.911
  890    HA   LEU 117           HA       LEU 117  -6.302  -9.263  -3.983
  891    HB2  LEU 117           HB2      LEU 117  -7.400  -7.867  -1.514
  892    HB3  LEU 117           HB3      LEU 117  -6.431  -7.035  -2.717
  893    HG   LEU 117           HG       LEU 117  -8.960  -8.537  -3.507
  894   HD11  LEU 117          HD11      LEU 117  -9.606  -6.928  -1.786
  895   HD12  LEU 117          HD12      LEU 117  -8.734  -5.628  -2.632
  896   HD13  LEU 117          HD13      LEU 117 -10.163  -6.387  -3.375
  897   HD21  LEU 117          HD21      LEU 117  -7.461  -6.224  -4.806
  898   HD22  LEU 117          HD22      LEU 117  -7.424  -7.914  -5.343
  899   HD23  LEU 117          HD23      LEU 117  -8.937  -6.998  -5.418
  900    H    TYR 118           H        TYR 118  -5.726  -9.706  -0.427
  901    HA   TYR 118           HA       TYR 118  -3.029  -8.777  -0.456
  902    HB2  TYR 118           HB2      TYR 118  -4.264 -10.918   1.314
  903    HB3  TYR 118           HB3      TYR 118  -2.763 -10.065   1.624
  904    HD1  TYR 118           HD1      TYR 118  -4.072  -7.221   0.729
  905    HD2  TYR 118           HD2      TYR 118  -5.102 -10.363   3.511
  906    HE1  TYR 118           HE1      TYR 118  -5.307  -5.594   2.105
  907    HE2  TYR 118           HE2      TYR 118  -6.347  -8.738   4.890
  908    HH   TYR 118           HH       TYR 118  -7.002  -6.512   5.141
  909    H    TRP 119           H        TRP 119  -4.381 -12.088  -0.956
  910    HA   TRP 119           HA       TRP 119  -1.860 -13.390  -1.326
  911    HB2  TRP 119           HB2      TRP 119  -3.584 -14.883  -1.014
  912    HB3  TRP 119           HB3      TRP 119  -4.739 -13.941  -1.940
  913    HD1  TRP 119           HD1      TRP 119  -5.130 -14.455  -4.369
  914    HE1  TRP 119           HE1      TRP 119  -4.319 -16.184  -6.029
  915    HE3  TRP 119           HE3      TRP 119  -1.233 -16.374  -1.655
  916    HZ2  TRP 119           HZ2      TRP 119  -2.227 -18.222  -6.167
  917    HZ3  TRP 119           HZ3      TRP 119   0.150 -18.211  -2.579
  918    HH2  TRP 119           HH2      TRP 119  -0.343 -19.145  -4.830
  919    H    LEU 120           H        LEU 120  -3.991 -11.637  -3.649
  920    HA   LEU 120           HA       LEU 120  -2.525 -12.346  -5.957
  921    HB2  LEU 120           HB2      LEU 120  -4.828 -11.192  -5.786
  922    HB3  LEU 120           HB3      LEU 120  -3.951  -9.702  -5.459
  923    HG   LEU 120           HG       LEU 120  -2.657 -10.322  -7.716
  924   HD11  LEU 120          HD11      LEU 120  -3.839 -12.567  -7.908
  925   HD12  LEU 120          HD12      LEU 120  -5.353 -11.687  -8.146
  926   HD13  LEU 120          HD13      LEU 120  -4.034 -11.520  -9.323
  927   HD21  LEU 120          HD21      LEU 120  -4.411  -9.047  -8.971
  928   HD22  LEU 120          HD22      LEU 120  -5.480  -9.211  -7.551
  929   HD23  LEU 120          HD23      LEU 120  -3.963  -8.301  -7.428
  930    H    ALA 121           H        ALA 121  -2.291  -9.563  -3.723
  931    HA   ALA 121           HA       ALA 121  -0.132  -8.225  -4.978
  932    HB1  ALA 121           HB1      ALA 121  -0.035  -7.014  -2.786
  933    HB2  ALA 121           HB2      ALA 121  -1.679  -7.128  -3.455
  934    HB3  ALA 121           HB3      ALA 121  -1.194  -8.197  -2.128
  935    H    ARG 122           H        ARG 122  -0.130 -10.846  -2.514
  936    HA   ARG 122           HA       ARG 122   2.612 -10.777  -1.814
  937    HB2  ARG 122           HB2      ARG 122   0.591 -13.024  -2.057
  938    HB3  ARG 122           HB3      ARG 122   2.238 -13.399  -1.678
  939    HG2  ARG 122           HG2      ARG 122   0.543 -11.508   0.002
  940    HG3  ARG 122           HG3      ARG 122   0.637 -13.245   0.261
  941    HD2  ARG 122           HD2      ARG 122   2.883 -11.237   0.573
  942    HD3  ARG 122           HD3      ARG 122   2.082 -12.164   1.829
  943    HE   ARG 122           HE       ARG 122   3.113 -14.180   1.124
  944   HH11  ARG 122          HH11      ARG 122   4.605 -11.232  -0.269
  945   HH12  ARG 122          HH12      ARG 122   5.927 -12.100  -0.967
  946   HH21  ARG 122          HH21      ARG 122   4.858 -15.288   0.207
  947   HH22  ARG 122          HH22      ARG 122   6.137 -14.429  -0.598
  948    H    GLY 123           H        GLY 123   1.250 -11.527  -4.956
  949    HA2  GLY 123           HA2      GLY 123   2.870 -11.535  -6.783
  950    HA3  GLY 123           HA3      GLY 123   3.896 -12.630  -5.844
  951    H    TYR 124           H        TYR 124   0.665 -12.322  -7.382
  952    HA   TYR 124           HA       TYR 124  -0.247 -14.917  -6.958
  953    HB2  TYR 124           HB2      TYR 124  -1.569 -12.989  -7.820
  954    HB3  TYR 124           HB3      TYR 124  -0.728 -13.100  -9.356
  955    HD1  TYR 124           HD2      TYR 124  -2.241 -15.751  -7.137
  956    HD2  TYR 124           HD1      TYR 124  -2.330 -13.770 -10.963
  957    HE1  TYR 124           HE2      TYR 124  -3.966 -17.357  -7.921
  958    HE2  TYR 124           HE1      TYR 124  -4.071 -15.345 -11.742
  959    HH   TYR 124           HH       TYR 124  -5.376 -17.175 -11.211
  960    H    LYS 125           H        LYS 125  -0.055 -16.859  -8.011
  961    HA   LYS 125           HA       LYS 125   1.936 -17.088 -10.215
  962    HB2  LYS 125           HB2      LYS 125   3.103 -18.803  -8.972
  963    HB3  LYS 125           HB3      LYS 125   3.039 -17.318  -8.026
  964    HG2  LYS 125           HG2      LYS 125   1.103 -18.263  -6.723
  965    HG3  LYS 125           HG3      LYS 125   1.264 -19.777  -7.618
  966    HD2  LYS 125           HD2      LYS 125   3.399 -18.529  -5.840
  967    HD3  LYS 125           HD3      LYS 125   2.303 -19.840  -5.376
  968    HE2  LYS 125           HE2      LYS 125   3.238 -21.269  -7.188
  969    HE3  LYS 125           HE3      LYS 125   4.358 -19.974  -7.631
  970    HZ1  LYS 125           HZ1      LYS 125   5.413 -21.597  -6.199
  971    HZ2  LYS 125           HZ2      LYS 125   5.353 -20.165  -5.428
  972    HZ3  LYS 125           HZ3      LYS 125   4.321 -21.364  -5.015
  973    H    PHE 126           H        PHE 126  -1.206 -17.936  -9.379
  974    HA   PHE 126           HA       PHE 126  -1.030 -20.537 -10.810
  975    HB2  PHE 126           HB2      PHE 126  -3.345 -19.405  -9.215
  976    HB3  PHE 126           HB3      PHE 126  -3.299 -20.969 -10.005
  977    HD1  PHE 126           HD1      PHE 126  -0.432 -21.815  -9.183
  978    HD2  PHE 126           HD2      PHE 126  -3.741 -20.152  -6.946
  979    HE1  PHE 126           HE1      PHE 126   0.482 -22.777  -7.107
  980    HE2  PHE 126           HE2      PHE 126  -2.805 -21.132  -4.875
  981    HZ   PHE 126           HZ       PHE 126  -0.675 -22.399  -4.937
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   3.343  -6.158  -4.818
    2    H2   MET   1           H2       MET   1   2.599  -5.277  -3.658
    3    H3   MET   1           H3       MET   1   3.647  -4.553  -4.695
    4    HA   MET   1           HA       MET   1   5.478  -5.821  -3.821
    5    HB2  MET   1           HB2      MET   1   4.878  -3.579  -2.843
    6    HB3  MET   1           HB3      MET   1   3.960  -4.406  -1.580
    7    HG2  MET   1           HG2      MET   1   6.040  -5.531  -0.823
    8    HG3  MET   1           HG3      MET   1   6.936  -4.755  -2.136
    9    HE1  MET   1           HE1      MET   1   8.463  -2.852   0.870
   10    HE2  MET   1           HE2      MET   1   8.057  -4.577   0.773
   11    HE3  MET   1           HE3      MET   1   8.771  -3.753  -0.631
   12    H    ALA   2           H        ALA   2   5.995  -7.859  -3.132
   13    HA   ALA   2           HA       ALA   2   3.970  -9.676  -2.340
   14    HB1  ALA   2           HB1      ALA   2   6.999  -9.943  -2.144
   15    HB2  ALA   2           HB2      ALA   2   5.823 -11.271  -2.069
   16    HB3  ALA   2           HB3      ALA   2   5.999 -10.339  -3.566
   17    H    SER   3           H        SER   3   6.080  -7.660  -0.394
   18    HA   SER   3           HA       SER   3   6.234  -9.154   1.930
   19    HB2  SER   3           HB2      SER   3   6.421  -6.133   1.686
   20    HB3  SER   3           HB3      SER   3   7.332  -7.192   2.777
   21    HG   SER   3           HG       SER   3   8.473  -7.982   1.021
   22    H    VAL   4           H        VAL   4   3.316  -8.892   1.236
   23    HA   VAL   4           HA       VAL   4   2.072  -7.132   3.145
   24    HB   VAL   4           HB       VAL   4   0.028  -8.471   2.695
   25   HG11  VAL   4          HG11      VAL   4   1.525  -7.628   0.176
   26   HG12  VAL   4          HG12      VAL   4  -0.232  -7.782   0.371
   27   HG13  VAL   4          HG13      VAL   4   0.650  -6.543   1.276
   28   HG21  VAL   4          HG21      VAL   4   1.116 -10.694   2.267
   29   HG22  VAL   4          HG22      VAL   4  -0.030 -10.201   1.010
   30   HG23  VAL   4          HG23      VAL   4   1.707 -10.060   0.709
   31    H    GLU   5           H        GLU   5   3.774 -10.115   3.583
   32    HA   GLU   5           HA       GLU   5   3.248  -9.989   6.446
   33    HB2  GLU   5           HB2      GLU   5   1.527 -11.586   5.880
   34    HB3  GLU   5           HB3      GLU   5   2.570 -12.387   4.705
   35    HG2  GLU   5           HG2      GLU   5   4.002 -13.267   6.490
   36    HG3  GLU   5           HG3      GLU   5   3.041 -12.414   7.706
   37    H    ARG   6           H        ARG   6   5.051 -10.781   7.574
   38    HA   ARG   6           HA       ARG   6   7.173 -12.211   6.064
   39    HB2  ARG   6           HB2      ARG   6   8.895 -10.990   7.195
   40    HB3  ARG   6           HB3      ARG   6   7.820  -9.857   6.378
   41    HG2  ARG   6           HG2      ARG   6   6.700  -9.344   8.539
   42    HG3  ARG   6           HG3      ARG   6   7.787 -10.457   9.379
   43    HD2  ARG   6           HD2      ARG   6   8.656  -8.000   7.802
   44    HD3  ARG   6           HD3      ARG   6   8.454  -8.057   9.561
   45    HE   ARG   6           HE       ARG   6  10.188 -10.130   9.047
   46   HH11  ARG   6          HH11      ARG   6  10.243  -6.642   8.395
   47   HH12  ARG   6          HH12      ARG   6  11.962  -6.514   8.436
   48   HH21  ARG   6          HH21      ARG   6  12.482  -9.968   9.092
   49   HH22  ARG   6          HH22      ARG   6  13.259  -8.451   8.849
   50    H    ASP   7           H        ASP   7   4.933 -12.375   8.528
   51    HA   ASP   7           HA       ASP   7   6.445 -13.924  10.478
   52    HB2  ASP   7           HB2      ASP   7   4.657 -12.386  11.131
   53    HB3  ASP   7           HB3      ASP   7   3.504 -13.255  10.121
   54    H    GLU   8           H        GLU   8   4.844 -14.627   7.521
   55    HA   GLU   8           HA       GLU   8   4.352 -16.450   6.334
   56    HB2  GLU   8           HB2      GLU   8   6.260 -17.870   8.222
   57    HB3  GLU   8           HB3      GLU   8   5.728 -18.440   6.643
   58    HG2  GLU   8           HG2      GLU   8   6.775 -16.501   5.544
   59    HG3  GLU   8           HG3      GLU   8   7.315 -15.881   7.104
   60    H    THR   9           H        THR   9   3.127 -16.461   9.557
   61    HA   THR   9           HA       THR   9   1.930 -19.035   9.628
   62    HB   THR   9           HB       THR   9   0.811 -16.450  10.714
   63    HG1  THR   9           HG1      THR   9   2.548 -16.409  11.821
   64   HG21  THR   9          HG21      THR   9  -0.755 -18.326  10.897
   65   HG22  THR   9          HG22      THR   9   0.516 -19.343  11.613
   66   HG23  THR   9          HG23      THR   9  -0.103 -17.922  12.491
   67    H    ARG  10           H        ARG  10   0.676 -16.028   8.004
   68    HA   ARG  10           HA       ARG  10  -1.730 -17.456   7.177
   69    HB2  ARG  10           HB2      ARG  10  -0.535 -14.786   6.397
   70    HB3  ARG  10           HB3      ARG  10  -1.759 -15.524   5.396
   71    HG2  ARG  10           HG2      ARG  10  -2.693 -13.893   6.986
   72    HG3  ARG  10           HG3      ARG  10  -3.409 -15.494   7.097
   73    HD2  ARG  10           HD2      ARG  10  -3.086 -14.391   9.299
   74    HD3  ARG  10           HD3      ARG  10  -2.275 -15.961   9.171
   75    HE   ARG  10           HE       ARG  10  -0.346 -14.131   8.406
   76   HH11  ARG  10          HH11      ARG  10  -2.178 -14.660  11.426
   77   HH12  ARG  10          HH12      ARG  10  -0.814 -14.316  12.426
   78   HH21  ARG  10          HH21      ARG  10   1.322 -13.816   9.609
   79   HH22  ARG  10          HH22      ARG  10   1.367 -14.015  11.332
   80    H    GLU  11           H        GLU  11   1.498 -16.883   5.722
   81    HA   GLU  11           HA       GLU  11   1.068 -18.101   3.247
   82    HB2  GLU  11           HB2      GLU  11   3.241 -17.116   4.592
   83    HB3  GLU  11           HB3      GLU  11   3.612 -18.831   4.681
   84    HG2  GLU  11           HG2      GLU  11   3.359 -18.988   2.215
   85    HG3  GLU  11           HG3      GLU  11   3.008 -17.251   2.171
   86    H    HIS  12           H        HIS  12   1.976 -19.680   6.328
   87    HA   HIS  12           HA       HIS  12   1.871 -22.373   5.425
   88    HB2  HIS  12           HB2      HIS  12   3.025 -22.068   7.411
   89    HB3  HIS  12           HB3      HIS  12   1.869 -20.916   8.052
   90    HD1  HIS  12           HD1      HIS  12   1.580 -24.742   7.265
   91    HD2  HIS  12           HD2      HIS  12   0.571 -21.740  10.039
   92    HE1  HIS  12           HE1      HIS  12   0.268 -25.896   9.113
   93    H    ARG  13           H        ARG  13  -0.671 -20.341   7.069
   94    HA   ARG  13           HA       ARG  13  -2.553 -22.491   7.103
   95    HB2  ARG  13           HB2      ARG  13  -3.033 -19.473   7.172
   96    HB3  ARG  13           HB3      ARG  13  -4.267 -20.690   7.449
   97    HG2  ARG  13           HG2      ARG  13  -1.925 -19.992   9.241
   98    HG3  ARG  13           HG3      ARG  13  -3.644 -19.971   9.597
   99    HD2  ARG  13           HD2      ARG  13  -1.819 -22.352   9.250
  100    HD3  ARG  13           HD3      ARG  13  -2.625 -21.840  10.736
  101    HE   ARG  13           HE       ARG  13  -4.696 -22.367   8.931
  102   HH11  ARG  13          HH11      ARG  13  -1.919 -24.309  10.061
  103   HH12  ARG  13          HH12      ARG  13  -2.772 -25.806   9.910
  104   HH21  ARG  13          HH21      ARG  13  -5.691 -24.223   8.589
  105   HH22  ARG  13          HH22      ARG  13  -5.018 -25.788   9.016
  106    H    ILE  14           H        ILE  14  -2.218 -19.825   4.697
  107    HA   ILE  14           HA       ILE  14  -4.463 -20.555   3.277
  108    HB   ILE  14           HB       ILE  14  -2.879 -18.472   3.166
  109   HG12  ILE  14          HG12      ILE  14  -4.446 -19.386   0.750
  110   HG13  ILE  14          HG13      ILE  14  -5.080 -18.616   2.220
  111   HG21  ILE  14          HG21      ILE  14  -1.914 -19.893   0.664
  112   HG22  ILE  14          HG22      ILE  14  -1.464 -18.269   1.234
  113   HG23  ILE  14          HG23      ILE  14  -0.943 -19.676   2.141
  114   HD11  ILE  14          HD11      ILE  14  -4.914 -16.891   0.617
  115   HD12  ILE  14          HD12      ILE  14  -3.585 -16.627   1.750
  116   HD13  ILE  14          HD13      ILE  14  -3.267 -17.343   0.148
  117    H    GLU  15           H        GLU  15  -1.106 -21.736   2.937
  118    HA   GLU  15           HA       GLU  15  -1.498 -23.523   0.759
  119    HB2  GLU  15           HB2      GLU  15   0.681 -22.768   1.491
  120    HB3  GLU  15           HB3      GLU  15   0.444 -23.471   3.087
  121    HG2  GLU  15           HG2      GLU  15   1.929 -24.859   1.768
  122    HG3  GLU  15           HG3      GLU  15   0.450 -25.718   2.184
  123    H    THR  16           H        THR  16  -2.059 -23.953   4.317
  124    HA   THR  16           HA       THR  16  -2.425 -26.839   3.827
  125    HB   THR  16           HB       THR  16  -2.402 -26.958   6.332
  126    HG1  THR  16           HG1      THR  16  -1.418 -24.311   6.161
  127   HG21  THR  16          HG21      THR  16  -0.409 -27.416   4.961
  128   HG22  THR  16          HG22      THR  16   0.036 -25.699   5.001
  129   HG23  THR  16          HG23      THR  16   0.015 -26.658   6.501
  130    H    GLU  17           H        GLU  17  -4.608 -24.210   3.877
  131    HA   GLU  17           HA       GLU  17  -6.732 -26.261   4.280
  132    HB2  GLU  17           HB2      GLU  17  -7.986 -25.008   5.769
  133    HB3  GLU  17           HB3      GLU  17  -6.335 -24.946   6.362
  134    HG2  GLU  17           HG2      GLU  17  -6.188 -22.624   5.211
  135    HG3  GLU  17           HG3      GLU  17  -7.921 -22.756   4.975
  136    H    ILE  18           H        ILE  18  -5.787 -23.415   2.355
  137    HA   ILE  18           HA       ILE  18  -8.493 -23.354   1.174
  138    HB   ILE  18           HB       ILE  18  -6.045 -21.862   0.190
  139   HG12  ILE  18          HG12      ILE  18  -6.241 -21.260   2.516
  140   HG13  ILE  18          HG13      ILE  18  -6.708 -19.926   1.471
  141   HG21  ILE  18          HG21      ILE  18  -7.761 -20.249  -0.647
  142   HG22  ILE  18          HG22      ILE  18  -7.916 -21.847  -1.380
  143   HG23  ILE  18          HG23      ILE  18  -9.032 -21.366  -0.097
  144   HD11  ILE  18          HD11      ILE  18  -8.652 -21.698   2.977
  145   HD12  ILE  18          HD12      ILE  18  -8.052 -20.108   3.496
  146   HD13  ILE  18          HD13      ILE  18  -9.044 -20.238   2.026
  147    H    ILE  19           H        ILE  19  -5.174 -24.313   0.267
  148    HA   ILE  19           HA       ILE  19  -6.217 -25.607  -2.210
  149    HB   ILE  19           HB       ILE  19  -4.081 -24.845  -3.233
  150   HG12  ILE  19          HG12      ILE  19  -3.675 -23.413  -0.579
  151   HG13  ILE  19          HG13      ILE  19  -2.634 -24.615  -1.331
  152   HG21  ILE  19          HG21      ILE  19  -6.267 -23.616  -3.443
  153   HG22  ILE  19          HG22      ILE  19  -5.713 -22.514  -2.165
  154   HG23  ILE  19          HG23      ILE  19  -4.835 -22.624  -3.698
  155   HD11  ILE  19          HD11      ILE  19  -3.132 -21.749  -2.210
  156   HD12  ILE  19          HD12      ILE  19  -1.635 -22.452  -1.580
  157   HD13  ILE  19          HD13      ILE  19  -2.228 -22.935  -3.185
  158    H    VAL  20           H        VAL  20  -5.209 -26.613   0.671
  159    HA   VAL  20           HA       VAL  20  -2.948 -28.191   0.235
  160    HB   VAL  20           HB       VAL  20  -4.129 -27.551   2.346
  161   HG11  VAL  20          HG11      VAL  20  -5.873 -29.990   1.936
  162   HG12  VAL  20          HG12      VAL  20  -5.787 -28.966   3.375
  163   HG13  VAL  20          HG13      VAL  20  -6.418 -28.297   1.867
  164   HG21  VAL  20          HG21      VAL  20  -3.320 -30.472   2.162
  165   HG22  VAL  20          HG22      VAL  20  -2.214 -29.091   2.342
  166   HG23  VAL  20          HG23      VAL  20  -3.361 -29.478   3.635
  167    H    ASP  21           H        ASP  21  -6.300 -28.814  -0.535
  168    HA   ASP  21           HA       ASP  21  -6.072 -31.615  -1.141
  169    HB2  ASP  21           HB2      ASP  21  -8.141 -30.439  -0.402
  170    HB3  ASP  21           HB3      ASP  21  -8.187 -29.579  -1.942
  171    H    ALA  22           H        ALA  22  -4.714 -29.084  -2.853
  172    HA   ALA  22           HA       ALA  22  -5.085 -30.347  -5.530
  173    HB1  ALA  22           HB1      ALA  22  -5.185 -27.946  -6.357
  174    HB2  ALA  22           HB2      ALA  22  -6.615 -28.494  -5.461
  175    HB3  ALA  22           HB3      ALA  22  -5.425 -27.445  -4.671
  176    H    GLU  23           H        GLU  23  -3.323 -29.963  -6.970
  177    HA   GLU  23           HA       GLU  23  -0.775 -29.097  -5.683
  178    HB2  GLU  23           HB2      GLU  23   0.271 -31.150  -6.411
  179    HB3  GLU  23           HB3      GLU  23  -1.114 -31.503  -5.383
  180    HG2  GLU  23           HG2      GLU  23  -2.485 -32.029  -7.396
  181    HG3  GLU  23           HG3      GLU  23  -1.107 -31.665  -8.433
  182    H    ASP  24           H        ASP  24  -2.764 -28.580  -8.336
  183    HA   ASP  24           HA       ASP  24  -0.485 -27.622 -10.001
  184    HB2  ASP  24           HB2      ASP  24  -1.369 -29.688 -11.008
  185    HB3  ASP  24           HB3      ASP  24  -3.020 -29.067 -10.885
  186    H    LYS  25           H        LYS  25  -0.971 -25.663 -11.120
  187    HA   LYS  25           HA       LYS  25  -2.433 -23.807  -9.696
  188    HB2  LYS  25           HB2      LYS  25  -2.240 -22.348 -11.700
  189    HB3  LYS  25           HB3      LYS  25  -0.723 -23.079 -11.191
  190    HG2  LYS  25           HG2      LYS  25  -0.722 -24.647 -13.001
  191    HG3  LYS  25           HG3      LYS  25  -2.390 -24.283 -13.444
  192    HD2  LYS  25           HD2      LYS  25  -0.125 -22.259 -13.624
  193    HD3  LYS  25           HD3      LYS  25  -0.657 -23.299 -14.958
  194    HE2  LYS  25           HE2      LYS  25  -2.973 -22.381 -14.731
  195    HE3  LYS  25           HE3      LYS  25  -2.396 -21.268 -13.485
  196    HZ1  LYS  25           HZ1      LYS  25  -0.911 -20.282 -15.138
  197    HZ2  LYS  25           HZ2      LYS  25  -1.452 -21.303 -16.296
  198    HZ3  LYS  25           HZ3      LYS  25  -2.456 -20.197 -15.647
  199    H    GLU  26           H        GLU  26  -3.772 -25.846 -12.355
  200    HA   GLU  26           HA       GLU  26  -6.169 -24.212 -12.588
  201    HB2  GLU  26           HB2      GLU  26  -5.497 -27.072 -13.410
  202    HB3  GLU  26           HB3      GLU  26  -7.064 -26.321 -13.700
  203    HG2  GLU  26           HG2      GLU  26  -6.016 -24.529 -15.023
  204    HG3  GLU  26           HG3      GLU  26  -4.417 -25.213 -14.729
  205    H    GLU  27           H        GLU  27  -5.245 -27.135 -10.750
  206    HA   GLU  27           HA       GLU  27  -7.848 -27.596  -9.593
  207    HB2  GLU  27           HB2      GLU  27  -5.076 -28.472  -8.679
  208    HB3  GLU  27           HB3      GLU  27  -6.607 -29.125  -8.098
  209    HG2  GLU  27           HG2      GLU  27  -5.571 -29.296 -10.964
  210    HG3  GLU  27           HG3      GLU  27  -5.494 -30.579  -9.766
  211    H    ARG  28           H        ARG  28  -4.958 -25.721  -8.631
  212    HA   ARG  28           HA       ARG  28  -6.048 -25.060  -6.019
  213    HB2  ARG  28           HB2      ARG  28  -3.704 -23.925  -7.617
  214    HB3  ARG  28           HB3      ARG  28  -4.151 -23.412  -5.976
  215    HG2  ARG  28           HG2      ARG  28  -4.042 -25.790  -5.237
  216    HG3  ARG  28           HG3      ARG  28  -3.394 -26.258  -6.803
  217    HD2  ARG  28           HD2      ARG  28  -1.338 -25.135  -6.405
  218    HD3  ARG  28           HD3      ARG  28  -2.044 -24.184  -5.078
  219    HE   ARG  28           HE       ARG  28  -2.136 -27.082  -4.679
  220   HH11  ARG  28          HH11      ARG  28  -0.092 -24.240  -4.030
  221   HH12  ARG  28          HH12      ARG  28   0.243 -24.739  -2.391
  222   HH21  ARG  28          HH21      ARG  28  -1.613 -27.743  -2.665
  223   HH22  ARG  28          HH22      ARG  28  -0.459 -26.847  -1.673
  224    H    ALA  29           H        ALA  29  -6.274 -23.543  -9.238
  225    HA   ALA  29           HA       ALA  29  -7.558 -21.150  -8.287
  226    HB1  ALA  29           HB1      ALA  29  -8.320 -20.848 -10.545
  227    HB2  ALA  29           HB2      ALA  29  -6.662 -21.454 -10.629
  228    HB3  ALA  29           HB3      ALA  29  -8.029 -22.547 -10.955
  229    H    MET  30           H        MET  30  -8.769 -24.457  -9.195
  230    HA   MET  30           HA       MET  30 -11.505 -23.889  -8.644
  231    HB2  MET  30           HB2      MET  30 -10.053 -26.537  -8.321
  232    HB3  MET  30           HB3      MET  30 -11.788 -26.309  -8.286
  233    HG2  MET  30           HG2      MET  30 -10.055 -25.676 -10.695
  234    HG3  MET  30           HG3      MET  30 -10.884 -27.192 -10.411
  235    HE1  MET  30           HE1      MET  30 -12.330 -23.161 -10.468
  236    HE2  MET  30           HE2      MET  30 -10.915 -23.655 -11.424
  237    HE3  MET  30           HE3      MET  30 -12.482 -23.401 -12.218
  238    H    GLY  31           H        GLY  31  -8.878 -24.968  -6.394
  239    HA2  GLY  31           HA2      GLY  31 -10.436 -25.293  -4.089
  240    HA3  GLY  31           HA3      GLY  31  -8.751 -24.745  -4.108
  241    H    TRP  32           H        TRP  32  -8.730 -22.285  -5.139
  242    HA   TRP  32           HA       TRP  32  -9.775 -20.514  -3.242
  243    HB2  TRP  32           HB2      TRP  32  -8.741 -20.226  -6.067
  244    HB3  TRP  32           HB3      TRP  32  -9.515 -18.862  -5.283
  245    HD1  TRP  32           HD1      TRP  32  -6.297 -20.869  -5.135
  246    HE1  TRP  32           HE1      TRP  32  -4.613 -19.632  -3.664
  247    HE3  TRP  32           HE3      TRP  32  -9.407 -17.310  -3.190
  248    HZ2  TRP  32           HZ2      TRP  32  -4.625 -17.389  -1.830
  249    HZ3  TRP  32           HZ3      TRP  32  -8.551 -15.643  -1.571
  250    HH2  TRP  32           HH2      TRP  32  -6.170 -15.659  -0.896
  251    H    TYR  33           H        TYR  33 -11.096 -21.320  -6.516
  252    HA   TYR  33           HA       TYR  33 -13.332 -19.645  -6.412
  253    HB2  TYR  33           HB2      TYR  33 -12.627 -20.728  -8.458
  254    HB3  TYR  33           HB3      TYR  33 -12.914 -22.323  -7.785
  255    HD1  TYR  33           HD2      TYR  33 -15.238 -23.152  -7.358
  256    HD2  TYR  33           HD1      TYR  33 -14.479 -19.399  -9.334
  257    HE1  TYR  33           HE2      TYR  33 -17.591 -23.070  -8.085
  258    HE2  TYR  33           HE1      TYR  33 -16.729 -19.472 -10.341
  259    HH   TYR  33           HH       TYR  33 -19.155 -21.986  -9.455
  260    H    TYR  34           H        TYR  34 -13.042 -23.064  -5.204
  261    HA   TYR  34           HA       TYR  34 -15.815 -23.382  -4.767
  262    HB2  TYR  34           HB2      TYR  34 -13.458 -24.704  -3.363
  263    HB3  TYR  34           HB3      TYR  34 -15.128 -25.201  -3.169
  264    HD1  TYR  34           HD1      TYR  34 -16.142 -25.134  -6.022
  265    HD2  TYR  34           HD2      TYR  34 -12.473 -26.627  -4.300
  266    HE1  TYR  34           HE1      TYR  34 -15.931 -26.746  -7.876
  267    HE2  TYR  34           HE2      TYR  34 -12.271 -28.264  -6.136
  268    HH   TYR  34           HH       TYR  34 -13.218 -29.096  -8.102
  269    H    TYR  35           H        TYR  35 -13.216 -22.359  -2.401
  270    HA   TYR  35           HA       TYR  35 -15.289 -22.078  -0.395
  271    HB2  TYR  35           HB2      TYR  35 -13.712 -21.745   1.120
  272    HB3  TYR  35           HB3      TYR  35 -12.677 -22.462  -0.097
  273    HD1  TYR  35           HD1      TYR  35 -11.160 -20.993  -1.445
  274    HD2  TYR  35           HD2      TYR  35 -13.579 -19.415   1.756
  275    HE1  TYR  35           HE1      TYR  35  -9.819 -18.927  -1.466
  276    HE2  TYR  35           HE2      TYR  35 -12.261 -17.325   1.741
  277    HH   TYR  35           HH       TYR  35 -10.510 -16.165   0.771
  278    H    LEU  36           H        LEU  36 -13.758 -19.777  -2.717
  279    HA   LEU  36           HA       LEU  36 -14.857 -17.429  -1.534
  280    HB2  LEU  36           HB2      LEU  36 -13.898 -18.146  -4.316
  281    HB3  LEU  36           HB3      LEU  36 -14.782 -16.653  -4.085
  282    HG   LEU  36           HG       LEU  36 -12.337 -17.304  -2.411
  283   HD11  LEU  36          HD11      LEU  36 -12.510 -15.749  -5.031
  284   HD12  LEU  36          HD12      LEU  36 -11.095 -15.789  -3.956
  285   HD13  LEU  36          HD13      LEU  36 -11.646 -17.275  -4.751
  286   HD21  LEU  36          HD21      LEU  36 -13.927 -15.511  -1.583
  287   HD22  LEU  36          HD22      LEU  36 -12.308 -14.903  -1.968
  288   HD23  LEU  36          HD23      LEU  36 -13.658 -14.632  -3.091
  289    H    ASP  37           H        ASP  37 -16.154 -19.499  -4.228
  290    HA   ASP  37           HA       ASP  37 -18.531 -18.037  -4.586
  291    HB2  ASP  37           HB2      ASP  37 -17.749 -19.714  -6.181
  292    HB3  ASP  37           HB3      ASP  37 -17.980 -20.999  -4.989
  293    H    ASP  38           H        ASP  38 -17.766 -20.651  -2.299
  294    HA   ASP  38           HA       ASP  38 -20.417 -20.903  -1.201
  295    HB2  ASP  38           HB2      ASP  38 -18.711 -22.648  -0.984
  296    HB3  ASP  38           HB3      ASP  38 -17.701 -21.573  -0.014
  297    H    THR  39           H        THR  39 -17.862 -18.533  -0.626
  298    HA   THR  39           HA       THR  39 -18.998 -17.772   2.008
  299    HB   THR  39           HB       THR  39 -16.432 -16.963   0.585
  300    HG1  THR  39           HG1      THR  39 -16.268 -19.010   1.168
  301   HG21  THR  39          HG21      THR  39 -17.517 -16.265   3.341
  302   HG22  THR  39          HG22      THR  39 -15.781 -16.213   2.948
  303   HG23  THR  39          HG23      THR  39 -16.924 -15.184   2.072
  304    H    LEU  40           H        LEU  40 -18.497 -16.455  -1.267
  305    HA   LEU  40           HA       LEU  40 -18.836 -13.788  -0.619
  306    HB2  LEU  40           HB2      LEU  40 -19.093 -15.343  -3.194
  307    HB3  LEU  40           HB3      LEU  40 -19.278 -13.599  -3.198
  308    HG   LEU  40           HG       LEU  40 -16.757 -14.970  -2.182
  309   HD11  LEU  40          HD11      LEU  40 -15.741 -14.364  -4.317
  310   HD12  LEU  40          HD12      LEU  40 -17.137 -15.406  -4.607
  311   HD13  LEU  40          HD13      LEU  40 -17.262 -13.646  -4.874
  312   HD21  LEU  40          HD21      LEU  40 -15.755 -12.741  -2.584
  313   HD22  LEU  40          HD22      LEU  40 -17.399 -12.086  -2.768
  314   HD23  LEU  40          HD23      LEU  40 -16.867 -12.817  -1.228
  315    H    GLU  41           H        GLU  41 -21.150 -15.652  -0.001
  316    HA   GLU  41           HA       GLU  41 -23.457 -15.965  -0.597
  317    HB2  GLU  41           HB2      GLU  41 -24.584 -14.715   1.202
  318    HB3  GLU  41           HB3      GLU  41 -23.173 -15.646   1.676
  319    HG2  GLU  41           HG2      GLU  41 -21.820 -13.693   1.922
  320    HG3  GLU  41           HG3      GLU  41 -23.040 -12.644   1.198
  321    H    PHE  42           H        PHE  42 -23.104 -15.140  -2.839
  322    HA   PHE  42           HA       PHE  42 -23.731 -12.631  -3.734
  323    HB2  PHE  42           HB2      PHE  42 -24.340 -15.325  -5.015
  324    HB3  PHE  42           HB3      PHE  42 -24.406 -13.804  -5.876
  325    HD1  PHE  42           HD1      PHE  42 -22.286 -12.322  -5.955
  326    HD2  PHE  42           HD2      PHE  42 -22.262 -16.510  -4.886
  327    HE1  PHE  42           HE1      PHE  42 -19.895 -12.493  -6.602
  328    HE2  PHE  42           HE2      PHE  42 -19.890 -16.655  -5.539
  329    HZ   PHE  42           HZ       PHE  42 -18.702 -14.641  -6.404
  330    HA   PRO  43           HA       PRO  43 -24.733 -11.606  -5.551
  331    HB2  PRO  43           HB2      PRO  43 -26.335  -9.474  -6.018
  332    HB3  PRO  43           HB3      PRO  43 -26.592 -11.050  -6.826
  333    HG2  PRO  43           HG2      PRO  43 -28.005  -9.969  -4.365
  334    HG3  PRO  43           HG3      PRO  43 -28.738 -10.705  -5.826
  335    HD2  PRO  43           HD2      PRO  43 -28.248 -12.133  -3.529
  336    HD3  PRO  43           HD3      PRO  43 -28.128 -12.874  -5.151
  337    H    PHE  44           H        PHE  44 -23.710  -9.486  -5.255
  338    HA   PHE  44           HA       PHE  44 -24.338  -7.950  -2.854
  339    HB2  PHE  44           HB2      PHE  44 -22.220  -7.922  -1.872
  340    HB3  PHE  44           HB3      PHE  44 -22.672  -9.602  -2.011
  341    HD1  PHE  44           HD1      PHE  44 -21.491 -11.078  -3.753
  342    HD2  PHE  44           HD2      PHE  44 -20.197  -7.076  -2.783
  343    HE1  PHE  44           HE1      PHE  44 -19.227 -11.573  -4.632
  344    HE2  PHE  44           HE2      PHE  44 -17.983  -7.548  -3.779
  345    HZ   PHE  44           HZ       PHE  44 -17.488  -9.807  -4.700
  346    H    MET  45           H        MET  45 -22.300  -6.031  -3.026
  347    HA   MET  45           HA       MET  45 -22.153  -5.348  -5.896
  348    HB2  MET  45           HB2      MET  45 -23.077  -3.225  -5.694
  349    HB3  MET  45           HB3      MET  45 -24.214  -4.281  -4.880
  350    HG2  MET  45           HG2      MET  45 -23.779  -3.392  -2.790
  351    HG3  MET  45           HG3      MET  45 -22.129  -2.930  -3.170
  352    HE1  MET  45           HE1      MET  45 -22.296  -1.136  -5.858
  353    HE2  MET  45           HE2      MET  45 -22.361   0.428  -5.020
  354    HE3  MET  45           HE3      MET  45 -21.317  -0.864  -4.408
  355    H    GLY  46           H        GLY  46 -20.765  -3.520  -6.381
  356    HA2  GLY  46           HA2      GLY  46 -18.755  -2.733  -4.403
  357    HA3  GLY  46           HA3      GLY  46 -18.178  -3.888  -5.619
  358    H    LYS  47           H        LYS  47 -16.854  -1.796  -5.692
  359    HA   LYS  47           HA       LYS  47 -17.838  -0.254  -8.055
  360    HB2  LYS  47           HB2      LYS  47 -17.186   1.026  -5.875
  361    HB3  LYS  47           HB3      LYS  47 -15.538   0.528  -6.217
  362    HG2  LYS  47           HG2      LYS  47 -15.659   2.656  -7.189
  363    HG3  LYS  47           HG3      LYS  47 -15.924   1.590  -8.570
  364    HD2  LYS  47           HD2      LYS  47 -17.560   3.291  -8.783
  365    HD3  LYS  47           HD3      LYS  47 -18.434   1.890  -8.167
  366    HE2  LYS  47           HE2      LYS  47 -18.479   2.805  -5.922
  367    HE3  LYS  47           HE3      LYS  47 -17.386   4.119  -6.378
  368    HZ1  LYS  47           HZ1      LYS  47 -19.759   4.769  -6.301
  369    HZ2  LYS  47           HZ2      LYS  47 -19.090   5.046  -7.759
  370    HZ3  LYS  47           HZ3      LYS  47 -20.088   3.772  -7.563
  371    H    TRP  48           H        TRP  48 -16.925  -0.940  -9.899
  372    HA   TRP  48           HA       TRP  48 -14.522  -2.645  -9.907
  373    HB2  TRP  48           HB2      TRP  48 -16.464  -2.975 -11.470
  374    HB3  TRP  48           HB3      TRP  48 -16.099  -1.427 -12.207
  375    HD1  TRP  48           HD1      TRP  48 -12.771  -2.652 -11.819
  376    HE1  TRP  48           HE1      TRP  48 -11.912  -4.014 -13.750
  377    HE3  TRP  48           HE3      TRP  48 -17.238  -3.551 -14.172
  378    HZ2  TRP  48           HZ2      TRP  48 -13.020  -5.434 -16.035
  379    HZ3  TRP  48           HZ3      TRP  48 -17.291  -4.942 -16.227
  380    HH2  TRP  48           HH2      TRP  48 -15.182  -5.896 -17.148
  381    H    LYS  49           H        LYS  49 -12.707  -1.604  -9.437
  382    HA   LYS  49           HA       LYS  49 -12.318   1.264  -9.909
  383    HB2  LYS  49           HB2      LYS  49 -10.393  -0.822  -8.775
  384    HB3  LYS  49           HB3      LYS  49 -10.294   0.924  -8.570
  385    HG2  LYS  49           HG2      LYS  49 -12.459  -0.899  -7.415
  386    HG3  LYS  49           HG3      LYS  49 -11.044  -0.363  -6.550
  387    HD2  LYS  49           HD2      LYS  49 -13.100   1.602  -7.656
  388    HD3  LYS  49           HD3      LYS  49 -13.214   0.833  -6.070
  389    HE2  LYS  49           HE2      LYS  49 -10.775   1.671  -5.699
  390    HE3  LYS  49           HE3      LYS  49 -11.108   2.785  -7.036
  391    HZ1  LYS  49           HZ1      LYS  49 -12.922   3.702  -5.761
  392    HZ2  LYS  49           HZ2      LYS  49 -12.743   2.552  -4.564
  393    HZ3  LYS  49           HZ3      LYS  49 -11.594   3.697  -4.812
  394    H    LYS  50           H        LYS  50 -12.665   0.558 -12.311
  395    HA   LYS  50           HA       LYS  50 -10.783  -1.174 -13.645
  396    HB2  LYS  50           HB2      LYS  50 -13.142  -0.737 -14.344
  397    HB3  LYS  50           HB3      LYS  50 -12.714   0.929 -14.748
  398    HG2  LYS  50           HG2      LYS  50 -11.213   0.180 -16.513
  399    HG3  LYS  50           HG3      LYS  50 -11.427  -1.513 -16.054
  400    HD2  LYS  50           HD2      LYS  50 -13.645   0.308 -17.098
  401    HD3  LYS  50           HD3      LYS  50 -12.686  -0.800 -18.093
  402    HE2  LYS  50           HE2      LYS  50 -13.449  -2.706 -16.640
  403    HE3  LYS  50           HE3      LYS  50 -14.516  -1.591 -15.780
  404    HZ1  LYS  50           HZ1      LYS  50 -15.654  -1.186 -17.906
  405    HZ2  LYS  50           HZ2      LYS  50 -14.674  -2.249 -18.667
  406    HZ3  LYS  50           HZ3      LYS  50 -15.695  -2.772 -17.509
  407    H    LYS  51           H        LYS  51  -9.224  -0.542 -15.312
  408    HA   LYS  51           HA       LYS  51  -7.974   2.143 -14.824
  409    HB2  LYS  51           HB2      LYS  51  -6.736  -0.519 -15.656
  410    HB3  LYS  51           HB3      LYS  51  -5.921   1.037 -15.791
  411    HG2  LYS  51           HG2      LYS  51  -5.088  -0.018 -13.833
  412    HG3  LYS  51           HG3      LYS  51  -6.107   1.327 -13.295
  413    HD2  LYS  51           HD2      LYS  51  -7.899  -0.187 -12.740
  414    HD3  LYS  51           HD3      LYS  51  -7.076  -1.573 -13.466
  415    HE2  LYS  51           HE2      LYS  51  -5.524  -1.699 -11.687
  416    HE3  LYS  51           HE3      LYS  51  -5.842  -0.039 -11.167
  417    HZ1  LYS  51           HZ1      LYS  51  -6.956  -1.630  -9.706
  418    HZ2  LYS  51           HZ2      LYS  51  -8.096  -0.754 -10.536
  419    HZ3  LYS  51           HZ3      LYS  51  -7.800  -2.264 -10.981
  420    H    SER  52           H        SER  52  -8.196   3.458 -16.611
  421    HA   SER  52           HA       SER  52  -8.854   2.263 -19.262
  422    HB2  SER  52           HB2      SER  52 -10.460   4.380 -17.772
  423    HB3  SER  52           HB3      SER  52 -10.823   3.727 -19.379
  424    HG   SER  52           HG       SER  52 -12.086   2.741 -17.784
  425    H    ARG  53           H        ARG  53  -9.184   4.193 -20.844
  426    HA   ARG  53           HA       ARG  53  -8.254   5.764 -22.123
  427    HB2  ARG  53           HB2      ARG  53  -6.888   7.089 -19.779
  428    HB3  ARG  53           HB3      ARG  53  -7.346   7.780 -21.315
  429    HG2  ARG  53           HG2      ARG  53  -8.889   8.746 -19.992
  430    HG3  ARG  53           HG3      ARG  53  -9.829   7.338 -20.493
  431    HD2  ARG  53           HD2      ARG  53  -9.526   6.275 -18.370
  432    HD3  ARG  53           HD3      ARG  53  -8.133   7.274 -17.968
  433    HE   ARG  53           HE       ARG  53 -10.942   7.839 -17.505
  434   HH11  ARG  53          HH11      ARG  53  -7.708   9.358 -17.653
  435   HH12  ARG  53          HH12      ARG  53  -8.270  10.845 -16.987
  436   HH21  ARG  53          HH22      ARG  53 -11.555   9.551 -16.428
  437   HH22  ARG  53          HH21      ARG  53 -10.547  10.965 -16.178
  438    H    LYS  54           H        LYS  54  -6.038   6.693 -22.850
  439    HA   LYS  54           HA       LYS  54  -4.075   4.602 -22.990
  440    HB2  LYS  54           HB2      LYS  54  -3.840   7.598 -23.540
  441    HB3  LYS  54           HB3      LYS  54  -2.593   6.401 -23.912
  442    HG2  LYS  54           HG2      LYS  54  -4.169   5.197 -25.403
  443    HG3  LYS  54           HG3      LYS  54  -5.411   6.423 -25.083
  444    HD2  LYS  54           HD2      LYS  54  -3.905   8.181 -25.990
  445    HD3  LYS  54           HD3      LYS  54  -2.689   6.957 -26.369
  446    HE2  LYS  54           HE2      LYS  54  -5.529   7.037 -27.499
  447    HE3  LYS  54           HE3      LYS  54  -4.104   7.677 -28.318
  448    HZ1  LYS  54           HZ1      LYS  54  -4.619   5.476 -29.106
  449    HZ2  LYS  54           HZ2      LYS  54  -3.180   5.434 -28.349
  450    HZ3  LYS  54           HZ3      LYS  54  -4.514   4.829 -27.617
  451    H    THR  55           H        THR  55  -4.553   7.312 -20.713
  452    HA   THR  55           HA       THR  55  -1.987   7.116 -19.472
  453    HB   THR  55           HB       THR  55  -3.317   8.553 -17.731
  454    HG1  THR  55           HG1      THR  55  -5.384   8.437 -18.111
  455   HG21  THR  55          HG21      THR  55  -3.256  10.514 -19.215
  456   HG22  THR  55          HG22      THR  55  -1.814   9.513 -19.445
  457   HG23  THR  55          HG23      THR  55  -3.127   9.462 -20.643
  458    H    SER  56           H        SER  56  -4.607   4.913 -19.319
  459    HA   SER  56           HA       SER  56  -5.273   3.334 -17.905
  460    HB2  SER  56           HB2      SER  56  -2.445   3.394 -16.802
  461    HB3  SER  56           HB3      SER  56  -3.609   2.065 -16.695
  462    HG   SER  56           HG       SER  56  -2.512   3.164 -19.085
  463    H    THR  57           H        THR  57  -5.851   6.033 -17.110
  464    HA   THR  57           HA       THR  57  -5.452   6.479 -14.307
  465    HB   THR  57           HB       THR  57  -7.846   7.410 -15.891
  466    HG1  THR  57           HG1      THR  57  -5.284   8.593 -16.075
  467   HG21  THR  57          HG21      THR  57  -7.762   8.165 -13.586
  468   HG22  THR  57          HG22      THR  57  -6.107   8.780 -13.807
  469   HG23  THR  57          HG23      THR  57  -7.469   9.532 -14.667
  470    H    ILE  58           H        ILE  58  -6.813   5.887 -12.555
  471    HA   ILE  58           HA       ILE  58  -8.552   3.642 -12.860
  472    HB   ILE  58           HB       ILE  58  -8.050   5.645 -10.663
  473   HG12  ILE  58          HG12      ILE  58  -6.363   3.794 -11.364
  474   HG13  ILE  58          HG13      ILE  58  -6.748   3.994  -9.653
  475   HG21  ILE  58          HG21      ILE  58 -10.037   3.341 -10.545
  476   HG22  ILE  58          HG22      ILE  58  -9.354   4.157  -9.115
  477   HG23  ILE  58          HG23      ILE  58 -10.342   5.064 -10.261
  478   HD11  ILE  58          HD11      ILE  58  -6.588   1.649 -10.340
  479   HD12  ILE  58          HD12      ILE  58  -8.202   2.011  -9.729
  480   HD13  ILE  58          HD13      ILE  58  -7.931   1.874 -11.485
  481    H    GLU  59           H        GLU  59 -10.692   3.513 -13.141
  482    HA   GLU  59           HA       GLU  59 -12.439   5.896 -13.115
  483    HB2  GLU  59           HB2      GLU  59 -12.268   3.600 -15.122
  484    HB3  GLU  59           HB3      GLU  59 -13.766   4.485 -14.879
  485    HG2  GLU  59           HG2      GLU  59 -11.130   5.758 -15.738
  486    HG3  GLU  59           HG3      GLU  59 -12.432   5.281 -16.821
  487    H    GLU  60           H        GLU  60 -14.591   5.272 -12.352
  488    HA   GLU  60           HA       GLU  60 -14.502   2.850 -10.592
  489    HB2  GLU  60           HB2      GLU  60 -15.260   5.721  -9.906
  490    HB3  GLU  60           HB3      GLU  60 -15.504   4.325  -8.859
  491    HG2  GLU  60           HG2      GLU  60 -13.014   3.889  -8.954
  492    HG3  GLU  60           HG3      GLU  60 -12.827   5.416  -9.826
  493    H    LYS  61           H        LYS  61 -16.001   1.562 -11.529
  494    HA   LYS  61           HA       LYS  61 -18.608   2.777 -12.395
  495    HB2  LYS  61           HB2      LYS  61 -17.340   1.702 -14.183
  496    HB3  LYS  61           HB3      LYS  61 -17.182   0.219 -13.230
  497    HG2  LYS  61           HG2      LYS  61 -19.572  -0.177 -13.307
  498    HG3  LYS  61           HG3      LYS  61 -19.861   1.363 -14.106
  499    HD2  LYS  61           HD2      LYS  61 -18.054  -0.775 -15.321
  500    HD3  LYS  61           HD3      LYS  61 -19.791  -0.859 -15.518
  501    HE2  LYS  61           HE2      LYS  61 -18.041   1.478 -16.403
  502    HE3  LYS  61           HE3      LYS  61 -18.668   0.202 -17.453
  503    HZ1  LYS  61           HZ1      LYS  61 -20.049   2.174 -17.569
  504    HZ2  LYS  61           HZ2      LYS  61 -20.928   0.945 -16.922
  505    HZ3  LYS  61           HZ3      LYS  61 -20.354   2.120 -15.958
  506    H    THR  62           H        THR  62 -20.269   2.436 -10.946
  507    HA   THR  62           HA       THR  62 -20.027   0.551  -8.797
  508    HB   THR  62           HB       THR  62 -22.590   1.843  -9.807
  509    HG1  THR  62           HG1      THR  62 -21.948   3.727  -9.049
  510   HG21  THR  62          HG21      THR  62 -23.110   1.974  -7.405
  511   HG22  THR  62          HG22      THR  62 -22.712   0.302  -7.834
  512   HG23  THR  62          HG23      THR  62 -21.508   1.309  -7.002
  513    H    VAL  63           H        VAL  63 -20.632  -1.575  -8.721
  514    HA   VAL  63           HA       VAL  63 -22.268  -2.673 -10.954
  515    HB   VAL  63           HB       VAL  63 -20.670  -4.550 -11.140
  516   HG11  VAL  63          HG11      VAL  63 -19.063  -3.473 -12.574
  517   HG12  VAL  63          HG12      VAL  63 -20.622  -2.654 -12.755
  518   HG13  VAL  63          HG13      VAL  63 -19.324  -1.907 -11.798
  519   HG21  VAL  63          HG21      VAL  63 -18.353  -4.358 -10.369
  520   HG22  VAL  63          HG22      VAL  63 -18.717  -2.830  -9.545
  521   HG23  VAL  63          HG23      VAL  63 -19.449  -4.350  -8.984
  522    H    GLU  64           H        GLU  64 -23.403  -4.534 -10.520
  523    HA   GLU  64           HA       GLU  64 -23.579  -5.386  -7.657
  524    HB2  GLU  64           HB2      GLU  64 -25.714  -4.692  -8.753
  525    HB3  GLU  64           HB3      GLU  64 -25.472  -5.930  -9.990
  526    HG2  GLU  64           HG2      GLU  64 -25.541  -7.686  -8.223
  527    HG3  GLU  64           HG3      GLU  64 -25.722  -6.435  -6.992
  528    H    VAL  65           H        VAL  65 -22.745  -7.412  -7.232
  529    HA   VAL  65           HA       VAL  65 -21.410  -8.833  -9.471
  530    HB   VAL  65           HB       VAL  65 -20.965  -9.221  -6.492
  531   HG11  VAL  65          HG11      VAL  65 -20.145 -10.949  -8.163
  532   HG12  VAL  65          HG12      VAL  65 -19.171  -9.684  -8.920
  533   HG13  VAL  65          HG13      VAL  65 -18.835 -10.174  -7.246
  534   HG21  VAL  65          HG21      VAL  65 -20.443  -6.865  -6.860
  535   HG22  VAL  65          HG22      VAL  65 -18.936  -7.767  -6.743
  536   HG23  VAL  65          HG23      VAL  65 -19.531  -7.254  -8.336
  537    H    LEU  66           H        LEU  66 -22.503 -10.504 -10.259
  538    HA   LEU  66           HA       LEU  66 -24.961 -11.379  -8.942
  539    HB2  LEU  66           HB2      LEU  66 -23.681 -11.718 -11.670
  540    HB3  LEU  66           HB3      LEU  66 -24.981 -12.793 -11.182
  541    HG   LEU  66           HG       LEU  66 -26.532 -10.965 -10.876
  542   HD11  LEU  66          HD11      LEU  66 -25.074  -9.125 -10.168
  543   HD12  LEU  66          HD12      LEU  66 -24.282  -9.106 -11.760
  544   HD13  LEU  66          HD13      LEU  66 -25.997  -8.657 -11.586
  545   HD21  LEU  66          HD21      LEU  66 -26.737 -10.287 -13.244
  546   HD22  LEU  66          HD22      LEU  66 -25.061 -10.790 -13.546
  547   HD23  LEU  66          HD23      LEU  66 -26.292 -11.994 -13.112
  548    H    GLY  67           H        GLY  67 -21.748 -12.807  -9.624
  549    HA2  GLY  67           HA2      GLY  67 -21.931 -15.025  -7.909
  550    HA3  GLY  67           HA3      GLY  67 -22.535 -15.504  -9.501
  551    H    MET  68           H        MET  68 -20.204 -16.647  -8.596
  552    HA   MET  68           HA       MET  68 -17.915 -15.298  -9.833
  553    HB2  MET  68           HB2      MET  68 -18.202 -18.178  -8.933
  554    HB3  MET  68           HB3      MET  68 -16.738 -17.395  -9.572
  555    HG2  MET  68           HG2      MET  68 -17.195 -15.641  -7.652
  556    HG3  MET  68           HG3      MET  68 -18.108 -16.973  -6.941
  557    HE1  MET  68           HE1      MET  68 -14.620 -16.616  -8.930
  558    HE2  MET  68           HE2      MET  68 -14.766 -15.323  -7.717
  559    HE3  MET  68           HE3      MET  68 -13.556 -16.602  -7.507
  560    H    ALA  69           H        ALA  69 -16.877 -16.005 -11.752
  561    HA   ALA  69           HA       ALA  69 -18.688 -16.225 -13.943
  562    HB1  ALA  69           HB1      ALA  69 -16.566 -16.165 -15.262
  563    HB2  ALA  69           HB2      ALA  69 -16.585 -14.960 -13.975
  564    HB3  ALA  69           HB3      ALA  69 -15.661 -16.478 -13.774
  565    HA   PRO  70           HA       PRO  70 -18.875 -20.559 -15.113
  566    HB2  PRO  70           HB2      PRO  70 -17.402 -19.707 -17.609
  567    HB3  PRO  70           HB3      PRO  70 -18.800 -20.821 -17.452
  568    HG2  PRO  70           HG2      PRO  70 -19.222 -18.266 -18.201
  569    HG3  PRO  70           HG3      PRO  70 -20.281 -18.997 -16.947
  570    HD2  PRO  70           HD2      PRO  70 -17.920 -17.155 -16.587
  571    HD3  PRO  70           HD3      PRO  70 -19.511 -17.117 -15.767
  572    H    ASP  71           H        ASP  71 -17.729 -22.442 -15.422
  573    HA   ASP  71           HA       ASP  71 -15.349 -22.956 -14.130
  574    HB2  ASP  71           HB2      ASP  71 -16.925 -24.672 -14.773
  575    HB3  ASP  71           HB3      ASP  71 -16.644 -24.350 -16.487
  576    H    ASP  72           H        ASP  72 -15.819 -21.944 -17.487
  577    HA   ASP  72           HA       ASP  72 -13.218 -22.595 -18.472
  578    HB2  ASP  72           HB2      ASP  72 -15.181 -22.162 -19.906
  579    HB3  ASP  72           HB3      ASP  72 -15.186 -20.469 -19.401
  580    H    GLU  73           H        GLU  73 -14.296 -19.940 -16.467
  581    HA   GLU  73           HA       GLU  73 -11.908 -18.293 -17.138
  582    HB2  GLU  73           HB2      GLU  73 -14.509 -17.641 -15.721
  583    HB3  GLU  73           HB3      GLU  73 -13.181 -16.509 -15.932
  584    HG2  GLU  73           HG2      GLU  73 -14.647 -17.812 -18.266
  585    HG3  GLU  73           HG3      GLU  73 -15.105 -16.281 -17.542
  586    H    CYS  74           H        CYS  74 -13.708 -19.712 -14.338
  587    HA   CYS  74           HA       CYS  74 -11.766 -18.705 -12.486
  588    HB2  CYS  74           HB2      CYS  74 -12.938 -20.067 -10.820
  589    HB3  CYS  74           HB3      CYS  74 -14.013 -18.999 -11.746
  590    HG   CYS  74           HG       CYS  74 -15.207 -21.253 -11.218
  591    H    LEU  75           H        LEU  75 -11.294 -21.082 -14.653
  592    HA   LEU  75           HA       LEU  75  -9.667 -22.897 -13.047
  593    HB2  LEU  75           HB2      LEU  75 -10.231 -22.517 -15.992
  594    HB3  LEU  75           HB3      LEU  75  -8.820 -23.451 -15.520
  595    HG   LEU  75           HG       LEU  75 -11.586 -24.099 -14.436
  596   HD11  LEU  75          HD11      LEU  75 -10.166 -25.303 -16.860
  597   HD12  LEU  75          HD12      LEU  75 -11.697 -25.869 -16.148
  598   HD13  LEU  75          HD13      LEU  75 -11.617 -24.278 -16.905
  599   HD21  LEU  75          HD21      LEU  75  -9.056 -25.780 -14.659
  600   HD22  LEU  75          HD22      LEU  75  -9.653 -25.045 -13.159
  601   HD23  LEU  75          HD23      LEU  75 -10.606 -26.292 -13.962
  602    H    LYS  76           H        LYS  76  -9.175 -19.670 -14.157
  603    HA   LYS  76           HA       LYS  76  -6.305 -20.035 -13.471
  604    HB2  LYS  76           HB2      LYS  76  -5.571 -18.575 -15.220
  605    HB3  LYS  76           HB3      LYS  76  -6.336 -20.000 -15.897
  606    HG2  LYS  76           HG2      LYS  76  -8.001 -17.487 -15.587
  607    HG3  LYS  76           HG3      LYS  76  -6.744 -17.515 -16.813
  608    HD2  LYS  76           HD2      LYS  76  -7.726 -19.435 -17.920
  609    HD3  LYS  76           HD3      LYS  76  -8.967 -19.594 -16.654
  610    HE2  LYS  76           HE2      LYS  76  -9.881 -17.409 -17.179
  611    HE3  LYS  76           HE3      LYS  76  -8.575 -17.063 -18.317
  612    HZ1  LYS  76           HZ1      LYS  76  -9.444 -18.648 -19.824
  613    HZ2  LYS  76           HZ2      LYS  76 -10.495 -19.283 -18.722
  614    HZ3  LYS  76           HZ3      LYS  76 -10.744 -17.777 -19.282
  615    H    ASP  77           H        ASP  77  -9.153 -17.936 -13.323
  616    HA   ASP  77           HA       ASP  77  -7.732 -16.254 -11.369
  617    HB2  ASP  77           HB2      ASP  77  -7.065 -15.267 -13.536
  618    HB3  ASP  77           HB3      ASP  77  -8.757 -15.160 -14.008
  619    H    MET  78           H        MET  78  -9.203 -14.855 -10.214
  620    HA   MET  78           HA       MET  78 -11.776 -16.238  -9.867
  621    HB2  MET  78           HB2      MET  78 -10.392 -14.087  -8.225
  622    HB3  MET  78           HB3      MET  78 -11.929 -14.844  -7.807
  623    HG2  MET  78           HG2      MET  78  -9.245 -16.259  -8.063
  624    HG3  MET  78           HG3      MET  78 -10.090 -15.859  -6.579
  625    HE1  MET  78           HE1      MET  78 -10.354 -18.102  -9.916
  626    HE2  MET  78           HE2      MET  78  -9.114 -18.648  -8.762
  627    HE3  MET  78           HE3      MET  78 -10.556 -19.638  -9.069
  628    H    TYR  79           H        TYR  79 -12.591 -15.569 -11.922
  629    HA   TYR  79           HA       TYR  79 -13.340 -12.746 -12.296
  630    HB2  TYR  79           HB2      TYR  79 -13.729 -15.319 -13.850
  631    HB3  TYR  79           HB3      TYR  79 -14.589 -13.848 -14.273
  632    HD1  TYR  79           HD1      TYR  79 -13.358 -11.781 -14.941
  633    HD2  TYR  79           HD2      TYR  79 -11.416 -15.621 -14.567
  634    HE1  TYR  79           HE1      TYR  79 -11.559 -11.008 -16.451
  635    HE2  TYR  79           HE2      TYR  79  -9.644 -14.872 -16.120
  636    HH   TYR  79           HH       TYR  79  -8.813 -13.119 -17.417
  637    H    VAL  80           H        VAL  80 -15.483 -11.989 -12.286
  638    HA   VAL  80           HA       VAL  80 -17.617 -13.735 -11.178
  639    HB   VAL  80           HB       VAL  80 -18.336 -11.699  -9.873
  640   HG11  VAL  80          HG11      VAL  80 -17.330 -13.563  -8.705
  641   HG12  VAL  80          HG12      VAL  80 -15.691 -12.964  -9.053
  642   HG13  VAL  80          HG13      VAL  80 -16.782 -12.055  -7.985
  643   HG21  VAL  80          HG21      VAL  80 -16.931  -9.976 -11.015
  644   HG22  VAL  80          HG22      VAL  80 -16.719  -9.981  -9.261
  645   HG23  VAL  80          HG23      VAL  80 -15.479 -10.706 -10.294
  646    H    GLU  81           H        GLU  81 -19.716 -13.188 -11.837
  647    HA   GLU  81           HA       GLU  81 -19.946 -11.665 -14.369
  648    HB2  GLU  81           HB2      GLU  81 -21.971 -13.207 -12.675
  649    HB3  GLU  81           HB3      GLU  81 -22.341 -12.349 -14.180
  650    HG2  GLU  81           HG2      GLU  81 -20.660 -13.802 -15.364
  651    HG3  GLU  81           HG3      GLU  81 -20.455 -14.725 -13.874
  652    H    VAL  82           H        VAL  82 -20.956  -9.655 -14.448
  653    HA   VAL  82           HA       VAL  82 -21.701  -8.390 -11.890
  654    HB   VAL  82           HB       VAL  82 -19.156  -8.213 -13.225
  655   HG11  VAL  82          HG11      VAL  82 -19.963  -6.454 -14.658
  656   HG12  VAL  82          HG12      VAL  82 -20.525  -5.520 -13.252
  657   HG13  VAL  82          HG13      VAL  82 -18.790  -5.837 -13.486
  658   HG21  VAL  82          HG21      VAL  82 -18.547  -6.853 -11.282
  659   HG22  VAL  82          HG22      VAL  82 -20.262  -6.757 -10.818
  660   HG23  VAL  82          HG23      VAL  82 -19.431  -8.323 -10.850
  661    H    ALA  83           H        ALA  83 -23.161  -6.751 -12.128
  662    HA   ALA  83           HA       ALA  83 -24.136  -6.164 -14.899
  663    HB1  ALA  83           HB1      ALA  83 -25.709  -6.113 -12.299
  664    HB2  ALA  83           HB2      ALA  83 -26.320  -5.708 -13.920
  665    HB3  ALA  83           HB3      ALA  83 -25.812  -7.367 -13.559
  666    H    ASP  84           H        ASP  84 -24.201  -4.065 -15.514
  667    HA   ASP  84           HA       ASP  84 -22.565  -2.222 -13.955
  668    HB2  ASP  84           HB2      ASP  84 -22.188  -2.554 -16.337
  669    HB3  ASP  84           HB3      ASP  84 -23.844  -2.038 -16.692
  670    H    ILE  85           H        ILE  85 -24.367  -2.288 -12.253
  671    HA   ILE  85           HA       ILE  85 -26.739  -0.762 -12.628
  672    HB   ILE  85           HB       ILE  85 -26.831  -0.573 -10.207
  673   HG12  ILE  85          HG12      ILE  85 -24.101  -1.876 -10.104
  674   HG13  ILE  85          HG13      ILE  85 -24.400  -0.173  -9.771
  675   HG21  ILE  85          HG21      ILE  85 -27.087  -2.930  -9.760
  676   HG22  ILE  85          HG22      ILE  85 -27.485  -2.665 -11.454
  677   HG23  ILE  85          HG23      ILE  85 -25.913  -3.367 -11.019
  678   HD11  ILE  85          HD11      ILE  85 -25.527  -2.499  -8.157
  679   HD12  ILE  85          HD12      ILE  85 -24.202  -1.439  -7.687
  680   HD13  ILE  85          HD13      ILE  85 -25.840  -0.775  -7.858
  681    H    GLY  86           H        GLY  86 -23.467   0.340 -12.557
  682    HA2  GLY  86           HA2      GLY  86 -24.096   3.112 -11.854
  683    HA3  GLY  86           HA3      GLY  86 -22.544   2.428 -12.364
  684    H    GLY  87           H        GLY  87 -24.548   1.229 -14.691
  685    HA2  GLY  87           HA2      GLY  87 -24.683   3.649 -16.406
  686    HA3  GLY  87           HA3      GLY  87 -23.571   2.347 -16.845
  687    H    LYS  88           H        LYS  88 -24.408   0.359 -17.628
  688    HA   LYS  88           HA       LYS  88 -26.732   0.653 -19.209
  689    HB2  LYS  88           HB2      LYS  88 -25.458  -1.979 -18.335
  690    HB3  LYS  88           HB3      LYS  88 -26.550  -1.760 -19.690
  691    HG2  LYS  88           HG2      LYS  88 -23.737  -0.619 -19.462
  692    HG3  LYS  88           HG3      LYS  88 -24.267  -1.980 -20.448
  693    HD2  LYS  88           HD2      LYS  88 -25.750  -0.444 -21.751
  694    HD3  LYS  88           HD3      LYS  88 -25.114   0.927 -20.808
  695    HE2  LYS  88           HE2      LYS  88 -22.816   0.387 -21.567
  696    HE3  LYS  88           HE3      LYS  88 -23.438  -0.980 -22.498
  697    HZ1  LYS  88           HZ1      LYS  88 -23.109   0.960 -23.891
  698    HZ2  LYS  88           HZ2      LYS  88 -24.695   0.597 -23.851
  699    HZ3  LYS  88           HZ3      LYS  88 -24.120   1.863 -22.990
  700    H    ASP  89           H        ASP  89 -26.409  -0.776 -16.029
  701    HA   ASP  89           HA       ASP  89 -27.692  -1.605 -14.477
  702    HB2  ASP  89           HB2      ASP  89 -28.651   0.631 -14.544
  703    HB3  ASP  89           HB3      ASP  89 -29.842   0.111 -15.740
  704    H    ASP  90           H        ASP  90 -29.002  -2.173 -17.653
  705    HA   ASP  90           HA       ASP  90 -30.589  -4.499 -16.704
  706    HB2  ASP  90           HB2      ASP  90 -31.696  -2.548 -17.823
  707    HB3  ASP  90           HB3      ASP  90 -30.704  -2.861 -19.252
  708    H    ASP  91           H        ASP  91 -27.558  -4.155 -17.623
  709    HA   ASP  91           HA       ASP  91 -27.529  -6.643 -19.235
  710    HB2  ASP  91           HB2      ASP  91 -27.242  -4.588 -20.736
  711    HB3  ASP  91           HB3      ASP  91 -25.696  -4.341 -19.902
  712    H    VAL  92           H        VAL  92 -25.398  -7.627 -19.290
  713    HA   VAL  92           HA       VAL  92 -23.990  -7.389 -16.682
  714    HB   VAL  92           HB       VAL  92 -25.055  -9.901 -18.047
  715   HG11  VAL  92          HG11      VAL  92 -23.012 -10.394 -16.732
  716   HG12  VAL  92          HG12      VAL  92 -23.774  -9.668 -15.299
  717   HG13  VAL  92          HG13      VAL  92 -24.450 -11.130 -16.035
  718   HG21  VAL  92          HG21      VAL  92 -26.059  -8.464 -15.561
  719   HG22  VAL  92          HG22      VAL  92 -26.938  -8.692 -17.087
  720   HG23  VAL  92          HG23      VAL  92 -26.578 -10.084 -16.073
  721    H    TYR  93           H        TYR  93 -21.858  -7.962 -16.679
  722    HA   TYR  93           HA       TYR  93 -20.455  -8.808 -19.151
  723    HB2  TYR  93           HB2      TYR  93 -19.615  -6.593 -17.221
  724    HB3  TYR  93           HB3      TYR  93 -18.682  -7.168 -18.591
  725    HD1  TYR  93           HD1      TYR  93 -19.364  -6.666 -20.923
  726    HD2  TYR  93           HD2      TYR  93 -21.479  -5.033 -17.532
  727    HE1  TYR  93           HE1      TYR  93 -20.391  -4.965 -22.393
  728    HE2  TYR  93           HE2      TYR  93 -22.528  -3.338 -18.996
  729    HH   TYR  93           HH       TYR  93 -21.808  -3.142 -22.526
  730    H    THR  94           H        THR  94 -17.946  -9.060 -18.098
  731    HA   THR  94           HA       THR  94 -18.197 -10.548 -15.539
  732    HB   THR  94           HB       THR  94 -16.371 -11.348 -17.833
  733    HG1  THR  94           HG1      THR  94 -18.528 -11.683 -18.425
  734   HG21  THR  94          HG21      THR  94 -17.265 -12.895 -15.358
  735   HG22  THR  94          HG22      THR  94 -16.130 -13.453 -16.607
  736   HG23  THR  94          HG23      THR  94 -15.685 -12.107 -15.549
  737    H    ALA  95           H        ALA  95 -16.483 -10.153 -14.124
  738    HA   ALA  95           HA       ALA  95 -14.419  -8.166 -14.916
  739    HB1  ALA  95           HB1      ALA  95 -14.871  -6.906 -12.835
  740    HB2  ALA  95           HB2      ALA  95 -16.315  -6.931 -13.864
  741    HB3  ALA  95           HB3      ALA  95 -16.216  -8.000 -12.448
  742    H    LYS  96           H        LYS  96 -12.556  -8.241 -13.525
  743    HA   LYS  96           HA       LYS  96 -12.090 -10.873 -12.255
  744    HB2  LYS  96           HB2      LYS  96  -9.828  -9.633 -11.721
  745    HB3  LYS  96           HB3      LYS  96 -10.122 -10.371 -13.278
  746    HG2  LYS  96           HG2      LYS  96 -10.829  -7.463 -13.006
  747    HG3  LYS  96           HG3      LYS  96  -9.117  -7.902 -13.013
  748    HD2  LYS  96           HD2      LYS  96  -9.212  -8.823 -15.183
  749    HD3  LYS  96           HD3      LYS  96 -10.965  -8.933 -15.175
  750    HE2  LYS  96           HE2      LYS  96 -10.157  -7.160 -16.660
  751    HE3  LYS  96           HE3      LYS  96 -11.233  -6.544 -15.410
  752    HZ1  LYS  96           HZ1      LYS  96  -9.124  -5.263 -15.933
  753    HZ2  LYS  96           HZ2      LYS  96  -9.484  -5.442 -14.369
  754    HZ3  LYS  96           HZ3      LYS  96  -8.304  -6.378 -15.077
  755    H    LEU  97           H        LEU  97 -12.391 -11.191 -10.080
  756    HA   LEU  97           HA       LEU  97 -13.570  -9.213  -8.421
  757    HB2  LEU  97           HB2      LEU  97 -13.709 -11.678  -8.087
  758    HB3  LEU  97           HB3      LEU  97 -11.991 -11.715  -7.681
  759    HG   LEU  97           HG       LEU  97 -12.417 -10.348  -5.662
  760   HD11  LEU  97          HD11      LEU  97 -15.347 -10.511  -6.522
  761   HD12  LEU  97          HD12      LEU  97 -14.789  -9.981  -4.924
  762   HD13  LEU  97          HD13      LEU  97 -14.372  -9.033  -6.344
  763   HD21  LEU  97          HD21      LEU  97 -13.590 -12.097  -4.395
  764   HD22  LEU  97          HD22      LEU  97 -14.231 -12.787  -5.901
  765   HD23  LEU  97          HD23      LEU  97 -12.485 -12.815  -5.569
  766    H    SER  98           H        SER  98 -10.208 -10.117  -9.023
  767    HA   SER  98           HA       SER  98  -8.704  -8.736  -7.213
  768    HB2  SER  98           HB2      SER  98  -8.180  -8.804 -10.201
  769    HB3  SER  98           HB3      SER  98  -7.013  -8.961  -8.884
  770    HG   SER  98           HG       SER  98  -7.630 -10.969  -9.966
  771    H    ASP  99           H        ASP  99 -10.819  -7.288  -9.626
  772    HA   ASP  99           HA       ASP  99  -9.371  -4.703  -9.484
  773    HB2  ASP  99           HB2      ASP  99  -9.548  -6.151 -11.597
  774    HB3  ASP  99           HB3      ASP  99 -11.256  -5.681 -11.643
  775    H    ILE 100           H        ILE 100 -11.669  -5.987  -7.854
  776    HA   ILE 100           HA       ILE 100 -13.559  -3.686  -7.988
  777    HB   ILE 100           HB       ILE 100 -13.966  -6.641  -7.776
  778   HG12  ILE 100          HG12      ILE 100 -15.617  -4.365  -8.957
  779   HG13  ILE 100          HG13      ILE 100 -14.352  -5.247  -9.837
  780   HG21  ILE 100          HG21      ILE 100 -14.975  -5.944  -5.627
  781   HG22  ILE 100          HG22      ILE 100 -15.991  -4.765  -6.497
  782   HG23  ILE 100          HG23      ILE 100 -16.175  -6.511  -6.763
  783   HD11  ILE 100          HD11      ILE 100 -15.696  -7.358  -9.452
  784   HD12  ILE 100          HD12      ILE 100 -17.004  -6.308  -8.834
  785   HD13  ILE 100          HD13      ILE 100 -16.444  -6.136 -10.506
  786    H    GLU 101           H        GLU 101 -14.401  -2.936  -6.173
  787    HA   GLU 101           HA       GLU 101 -13.075  -3.522  -3.561
  788    HB2  GLU 101           HB2      GLU 101 -12.410  -1.328  -4.388
  789    HB3  GLU 101           HB3      GLU 101 -14.091  -0.905  -4.756
  790    HG2  GLU 101           HG2      GLU 101 -14.680  -0.846  -2.413
  791    HG3  GLU 101           HG3      GLU 101 -13.138  -1.570  -1.951
  792    H    ALA 102           H        ALA 102 -14.551  -4.468  -2.213
  793    HA   ALA 102           HA       ALA 102 -17.319  -4.736  -3.131
  794    HB1  ALA 102           HB1      ALA 102 -16.008  -6.611  -2.140
  795    HB2  ALA 102           HB2      ALA 102 -16.004  -5.763  -0.577
  796    HB3  ALA 102           HB3      ALA 102 -17.539  -6.299  -1.298
  797    H    ILE 103           H        ILE 103 -19.090  -3.802  -2.240
  798    HA   ILE 103           HA       ILE 103 -18.721  -1.819  -0.027
  799    HB   ILE 103           HB       ILE 103 -20.099  -1.628  -2.713
  800   HG12  ILE 103          HG12      ILE 103 -18.022   0.160  -1.361
  801   HG13  ILE 103          HG13      ILE 103 -17.645  -1.088  -2.548
  802   HG21  ILE 103          HG21      ILE 103 -20.405   0.338  -0.403
  803   HG22  ILE 103          HG22      ILE 103 -21.011   0.576  -2.058
  804   HG23  ILE 103          HG23      ILE 103 -21.686  -0.700  -1.078
  805   HD11  ILE 103          HD11      ILE 103 -19.050   0.070  -4.226
  806   HD12  ILE 103          HD12      ILE 103 -19.258   1.418  -3.075
  807   HD13  ILE 103          HD13      ILE 103 -17.643   1.005  -3.657
  808    H    ASP 104           H        ASP 104 -20.227  -1.756   1.509
  809    HA   ASP 104           HA       ASP 104 -21.927  -2.339   2.834
  810    HB2  ASP 104           HB2      ASP 104 -23.015  -0.861   1.189
  811    HB3  ASP 104           HB3      ASP 104 -23.522  -2.270   0.256
  812    H    VAL 105           H        VAL 105 -20.359  -4.544   2.146
  813    HA   VAL 105           HA       VAL 105 -22.343  -6.757   2.033
  814    HB   VAL 105           HB       VAL 105 -20.572  -6.389   0.194
  815   HG11  VAL 105          HG11      VAL 105 -18.422  -7.495   0.492
  816   HG12  VAL 105          HG12      VAL 105 -18.566  -6.096   1.570
  817   HG13  VAL 105          HG13      VAL 105 -18.757  -7.741   2.209
  818   HG21  VAL 105          HG21      VAL 105 -20.478  -8.726  -0.257
  819   HG22  VAL 105          HG22      VAL 105 -20.872  -9.126   1.431
  820   HG23  VAL 105          HG23      VAL 105 -22.064  -8.318   0.409
  821    H    ASP 106           H        ASP 106 -21.631  -8.796   3.208
  822    HA   ASP 106           HA       ASP 106 -21.390  -8.196   6.007
  823    HB2  ASP 106           HB2      ASP 106 -22.680 -10.113   5.134
  824    HB3  ASP 106           HB3      ASP 106 -21.182 -10.837   4.525
  825    H    ASP 107           H        ASP 107 -19.764  -8.977   7.429
  826    HA   ASP 107           HA       ASP 107 -17.135  -8.187   6.779
  827    HB2  ASP 107           HB2      ASP 107 -18.014  -8.212   9.060
  828    HB3  ASP 107           HB3      ASP 107 -18.174  -9.970   9.012
  829    H    ASP 108           H        ASP 108 -18.579 -11.532   6.766
  830    HA   ASP 108           HA       ASP 108 -15.957 -12.716   6.455
  831    HB2  ASP 108           HB2      ASP 108 -18.112 -13.844   7.349
  832    HB3  ASP 108           HB3      ASP 108 -18.553 -14.052   5.641
  833    H    THR 109           H        THR 109 -18.490 -11.589   4.244
  834    HA   THR 109           HA       THR 109 -17.441 -12.666   1.811
  835    HB   THR 109           HB       THR 109 -19.073 -10.121   2.253
  836    HG1  THR 109           HG1      THR 109 -20.850 -11.495   2.105
  837   HG21  THR 109          HG21      THR 109 -18.502 -11.895  -0.105
  838   HG22  THR 109          HG22      THR 109 -20.056 -11.074  -0.014
  839   HG23  THR 109          HG23      THR 109 -18.534 -10.143  -0.019
  840    H    GLN 110           H        GLN 110 -17.188  -9.411   3.408
  841    HA   GLN 110           HA       GLN 110 -15.425  -8.287   1.546
  842    HB2  GLN 110           HB2      GLN 110 -16.806  -7.284   3.580
  843    HB3  GLN 110           HB3      GLN 110 -15.318  -7.532   4.484
  844    HG2  GLN 110           HG2      GLN 110 -15.676  -5.882   1.937
  845    HG3  GLN 110           HG3      GLN 110 -15.547  -5.239   3.565
  846   HE21  GLN 110          HE22      GLN 110 -13.761  -5.980   0.761
  847   HE22  GLN 110          HE21      GLN 110 -12.164  -5.956   1.461
  848    H    GLU 111           H        GLU 111 -14.668 -10.075   4.612
  849    HA   GLU 111           HA       GLU 111 -11.861  -9.755   4.430
  850    HB2  GLU 111           HB2      GLU 111 -13.640 -11.817   5.777
  851    HB3  GLU 111           HB3      GLU 111 -11.887 -11.900   5.891
  852    HG2  GLU 111           HG2      GLU 111 -13.463  -9.421   6.714
  853    HG3  GLU 111           HG3      GLU 111 -13.061 -10.736   7.813
  854    H    ALA 112           H        ALA 112 -13.997 -12.260   2.934
  855    HA   ALA 112           HA       ALA 112 -11.820 -13.900   2.043
  856    HB1  ALA 112           HB1      ALA 112 -14.197 -14.639   2.115
  857    HB2  ALA 112           HB2      ALA 112 -14.565 -13.549   0.755
  858    HB3  ALA 112           HB3      ALA 112 -13.442 -14.910   0.539
  859    H    ILE 113           H        ILE 113 -13.493 -11.088   0.590
  860    HA   ILE 113           HA       ILE 113 -12.089 -11.197  -1.919
  861    HB   ILE 113           HB       ILE 113 -13.565  -8.930  -0.509
  862   HG12  ILE 113          HG12      ILE 113 -14.489 -10.736  -2.787
  863   HG13  ILE 113          HG13      ILE 113 -14.855 -11.069  -1.112
  864   HG21  ILE 113          HG21      ILE 113 -12.046  -7.991  -2.215
  865   HG22  ILE 113          HG22      ILE 113 -12.669  -9.131  -3.423
  866   HG23  ILE 113          HG23      ILE 113 -13.714  -7.860  -2.755
  867   HD11  ILE 113          HD11      ILE 113 -15.973  -8.808  -0.955
  868   HD12  ILE 113          HD12      ILE 113 -15.841  -8.736  -2.738
  869   HD13  ILE 113          HD13      ILE 113 -16.767 -10.029  -1.960
  870    H    ALA 114           H        ALA 114 -11.563  -9.361   1.148
  871    HA   ALA 114           HA       ALA 114  -9.255  -7.943   0.320
  872    HB1  ALA 114           HB1      ALA 114  -8.796  -7.714   2.719
  873    HB2  ALA 114           HB2      ALA 114 -10.523  -7.461   2.400
  874    HB3  ALA 114           HB3      ALA 114  -9.959  -8.998   3.095
  875    H    ASP 115           H        ASP 115  -9.622 -11.236   1.716
  876    HA   ASP 115           HA       ASP 115  -6.814 -11.725   1.944
  877    HB2  ASP 115           HB2      ASP 115  -8.538 -12.973   3.199
  878    HB3  ASP 115           HB3      ASP 115  -9.087 -13.724   1.695
  879    H    TRP 116           H        TRP 116  -9.168 -12.423  -0.711
  880    HA   TRP 116           HA       TRP 116  -7.302 -13.697  -2.457
  881    HB2  TRP 116           HB2      TRP 116  -9.626 -13.784  -3.005
  882    HB3  TRP 116           HB3      TRP 116  -9.794 -12.035  -2.944
  883    HD1  TRP 116           HD1      TRP 116  -9.706 -10.821  -5.170
  884    HE1  TRP 116           HE1      TRP 116  -8.774 -11.270  -7.531
  885    HE3  TRP 116           HE3      TRP 116  -7.518 -15.380  -4.365
  886    HZ2  TRP 116           HZ2      TRP 116  -7.300 -13.320  -8.874
  887    HZ3  TRP 116           HZ3      TRP 116  -6.373 -16.567  -6.208
  888    HH2  TRP 116           HH2      TRP 116  -6.242 -15.543  -8.464
  889    H    LEU 117           H        LEU 117  -8.084 -10.203  -1.970
  890    HA   LEU 117           HA       LEU 117  -6.327  -9.277  -4.016
  891    HB2  LEU 117           HB2      LEU 117  -7.417  -7.954  -1.503
  892    HB3  LEU 117           HB3      LEU 117  -6.445  -7.090  -2.681
  893    HG   LEU 117           HG       LEU 117  -8.994  -8.545  -3.503
  894   HD11  LEU 117          HD11      LEU 117 -10.164  -6.379  -3.314
  895   HD12  LEU 117          HD12      LEU 117  -9.612  -6.971  -1.742
  896   HD13  LEU 117          HD13      LEU 117  -8.722  -5.662  -2.555
  897   HD21  LEU 117          HD21      LEU 117  -7.466  -7.902  -5.334
  898   HD22  LEU 117          HD22      LEU 117  -8.960  -6.957  -5.372
  899   HD23  LEU 117          HD23      LEU 117  -7.466  -6.225  -4.754
  900    H    TYR 118           H        TYR 118  -5.767  -9.827  -0.480
  901    HA   TYR 118           HA       TYR 118  -3.064  -8.916  -0.494
  902    HB2  TYR 118           HB2      TYR 118  -4.329 -11.048   1.264
  903    HB3  TYR 118           HB3      TYR 118  -2.814 -10.219   1.578
  904    HD1  TYR 118           HD2      TYR 118  -3.861  -7.332   0.796
  905    HD2  TYR 118           HD1      TYR 118  -5.357 -10.483   3.348
  906    HE1  TYR 118           HE2      TYR 118  -5.074  -5.663   2.135
  907    HE2  TYR 118           HE1      TYR 118  -6.581  -8.809   4.696
  908    HH   TYR 118           HH       TYR 118  -6.485  -5.290   3.953
  909    H    TRP 119           H        TRP 119  -4.450 -12.200  -1.116
  910    HA   TRP 119           HA       TRP 119  -1.944 -13.505  -1.516
  911    HB2  TRP 119           HB2      TRP 119  -3.788 -14.917  -1.310
  912    HB3  TRP 119           HB3      TRP 119  -4.784 -13.976  -2.410
  913    HD1  TRP 119           HD1      TRP 119  -4.794 -14.546  -4.898
  914    HE1  TRP 119           HE1      TRP 119  -3.768 -16.369  -6.366
  915    HE3  TRP 119           HE3      TRP 119  -1.453 -16.457  -1.521
  916    HZ2  TRP 119           HZ2      TRP 119  -1.677 -18.370  -6.111
  917    HZ3  TRP 119           HZ3      TRP 119   0.060 -18.312  -2.170
  918    HH2  TRP 119           HH2      TRP 119  -0.043 -19.272  -4.462
  919    H    LEU 120           H        LEU 120  -4.017 -11.592  -3.758
  920    HA   LEU 120           HA       LEU 120  -2.619 -12.248  -6.111
  921    HB2  LEU 120           HB2      LEU 120  -4.875 -10.947  -5.762
  922    HB3  LEU 120           HB3      LEU 120  -3.864  -9.526  -5.542
  923    HG   LEU 120           HG       LEU 120  -2.785 -10.411  -7.870
  924   HD11  LEU 120          HD11      LEU 120  -5.699 -11.305  -8.034
  925   HD12  LEU 120          HD12      LEU 120  -4.473 -11.404  -9.315
  926   HD13  LEU 120          HD13      LEU 120  -4.341 -12.424  -7.869
  927   HD21  LEU 120          HD21      LEU 120  -3.670  -8.189  -7.581
  928   HD22  LEU 120          HD22      LEU 120  -4.397  -8.883  -9.039
  929   HD23  LEU 120          HD23      LEU 120  -5.334  -8.793  -7.523
  930    H    ALA 121           H        ALA 121  -2.208  -9.598  -3.740
  931    HA   ALA 121           HA       ALA 121   0.056  -8.338  -4.927
  932    HB1  ALA 121           HB1      ALA 121  -1.428  -7.264  -3.281
  933    HB2  ALA 121           HB2      ALA 121  -0.941  -8.435  -2.043
  934    HB3  ALA 121           HB3      ALA 121   0.247  -7.277  -2.681
  935    H    ARG 122           H        ARG 122  -0.226 -10.953  -2.479
  936    HA   ARG 122           HA       ARG 122   2.485 -11.212  -1.781
  937    HB2  ARG 122           HB2      ARG 122   0.488 -12.306  -0.689
  938    HB3  ARG 122           HB3      ARG 122   0.406 -13.428  -2.041
  939    HG2  ARG 122           HG2      ARG 122   1.412 -14.479  -0.142
  940    HG3  ARG 122           HG3      ARG 122   2.597 -14.377  -1.439
  941    HD2  ARG 122           HD2      ARG 122   3.858 -12.718  -0.349
  942    HD3  ARG 122           HD3      ARG 122   2.509 -12.184   0.648
  943    HE   ARG 122           HE       ARG 122   4.393 -14.299   1.228
  944   HH11  ARG 122          HH11      ARG 122   1.059 -13.219   1.934
  945   HH12  ARG 122          HH12      ARG 122   1.070 -13.889   3.530
  946   HH21  ARG 122          HH21      ARG 122   4.303 -15.261   3.290
  947   HH22  ARG 122          HH22      ARG 122   2.946 -14.939   4.360
  948    H    GLY 123           H        GLY 123   0.807 -12.273  -4.717
  949    HA2  GLY 123           HA2      GLY 123   2.620 -12.399  -6.564
  950    HA3  GLY 123           HA3      GLY 123   3.187 -13.805  -5.643
  951    H    TYR 124           H        TYR 124   0.528 -12.515  -7.654
  952    HA   TYR 124           HA       TYR 124  -1.268 -14.719  -7.413
  953    HB2  TYR 124           HB2      TYR 124  -2.109 -12.725  -8.353
  954    HB3  TYR 124           HB3      TYR 124  -0.748 -12.536  -9.443
  955    HD1  TYR 124           HD2      TYR 124  -3.686 -14.837  -8.807
  956    HD2  TYR 124           HD1      TYR 124  -0.871 -13.244 -11.670
  957    HE1  TYR 124           HE2      TYR 124  -4.845 -16.055 -10.620
  958    HE2  TYR 124           HE1      TYR 124  -2.034 -14.448 -13.489
  959    HH   TYR 124           HH       TYR 124  -4.852 -16.596 -12.892
  960    H    LYS 125           H        LYS 125  -1.162 -16.669  -8.243
  961    HA   LYS 125           HA       LYS 125   0.200 -17.185 -10.801
  962    HB2  LYS 125           HB2      LYS 125   1.199 -19.302  -9.915
  963    HB3  LYS 125           HB3      LYS 125   1.933 -17.817  -9.314
  964    HG2  LYS 125           HG2      LYS 125   0.772 -18.041  -7.161
  965    HG3  LYS 125           HG3      LYS 125  -0.141 -19.419  -7.766
  966    HD2  LYS 125           HD2      LYS 125   1.623 -20.217  -6.338
  967    HD3  LYS 125           HD3      LYS 125   1.986 -20.706  -8.001
  968    HE2  LYS 125           HE2      LYS 125   3.569 -18.796  -8.214
  969    HE3  LYS 125           HE3      LYS 125   3.169 -18.275  -6.572
  970    HZ1  LYS 125           HZ1      LYS 125   4.105 -20.360  -5.754
  971    HZ2  LYS 125           HZ2      LYS 125   4.467 -20.847  -7.274
  972    HZ3  LYS 125           HZ3      LYS 125   5.214 -19.552  -6.629
  973    H    PHE 126           H        PHE 126  -2.427 -17.821  -8.593
  974    HA   PHE 126           HA       PHE 126  -4.051 -18.858 -10.623
  975    HB2  PHE 126           HB2      PHE 126  -4.788 -20.838  -9.150
  976    HB3  PHE 126           HB3      PHE 126  -3.351 -21.042 -10.119
  977    HD1  PHE 126           HD1      PHE 126  -4.420 -20.137  -6.623
  978    HD2  PHE 126           HD2      PHE 126  -1.341 -21.793  -9.143
  979    HE1  PHE 126           HE1      PHE 126  -3.095 -20.767  -4.614
  980    HE2  PHE 126           HE2      PHE 126  -0.043 -22.448  -7.139
  981    HZ   PHE 126           HZ       PHE 126  -0.898 -21.889  -4.870
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   4.445  -6.751  -8.177
    2    H2   MET   1           H2       MET   1   3.486  -5.581  -7.545
    3    H3   MET   1           H3       MET   1   5.109  -5.411  -7.496
    4    HA   MET   1           HA       MET   1   3.544  -7.438  -6.067
    5    HB2  MET   1           HB2      MET   1   5.731  -8.339  -6.706
    6    HB3  MET   1           HB3      MET   1   6.552  -6.925  -6.031
    7    HG2  MET   1           HG2      MET   1   5.772  -7.528  -3.770
    8    HG3  MET   1           HG3      MET   1   4.887  -8.909  -4.427
    9    HE1  MET   1           HE1      MET   1   6.108 -10.227  -2.411
   10    HE2  MET   1           HE2      MET   1   7.873 -10.357  -2.255
   11    HE3  MET   1           HE3      MET   1   7.070  -8.796  -1.979
   12    H    ALA   2           H        ALA   2   3.013  -6.985  -3.953
   13    HA   ALA   2           HA       ALA   2   4.226  -4.661  -2.585
   14    HB1  ALA   2           HB1      ALA   2   2.061  -3.823  -3.486
   15    HB2  ALA   2           HB2      ALA   2   1.223  -5.204  -2.734
   16    HB3  ALA   2           HB3      ALA   2   2.015  -3.985  -1.717
   17    H    SER   3           H        SER   3   4.914  -5.387  -0.617
   18    HA   SER   3           HA       SER   3   4.491  -8.072   0.248
   19    HB2  SER   3           HB2      SER   3   5.474  -5.670   1.843
   20    HB3  SER   3           HB3      SER   3   5.767  -7.384   2.200
   21    HG   SER   3           HG       SER   3   7.536  -6.378   1.121
   22    H    VAL   4           H        VAL   4   3.225  -8.870   1.966
   23    HA   VAL   4           HA       VAL   4   1.353  -7.226   3.430
   24    HB   VAL   4           HB       VAL   4  -0.568  -8.708   2.789
   25   HG11  VAL   4          HG11      VAL   4  -1.212  -7.580   0.762
   26   HG12  VAL   4          HG12      VAL   4  -0.334  -6.436   1.788
   27   HG13  VAL   4          HG13      VAL   4   0.467  -7.170   0.378
   28   HG21  VAL   4          HG21      VAL   4   1.168  -9.569   0.439
   29   HG22  VAL   4          HG22      VAL   4   0.683 -10.606   1.812
   30   HG23  VAL   4          HG23      VAL   4  -0.525  -9.984   0.692
   31    H    GLU   5           H        GLU   5   0.305  -8.722   5.064
   32    HA   GLU   5           HA       GLU   5   2.275 -10.248   6.442
   33    HB2  GLU   5           HB2      GLU   5  -0.754 -10.134   6.761
   34    HB3  GLU   5           HB3      GLU   5   0.347 -10.965   7.871
   35    HG2  GLU   5           HG2      GLU   5   1.538  -8.818   8.293
   36    HG3  GLU   5           HG3      GLU   5   0.394  -7.981   7.241
   37    H    ARG   6           H        ARG   6   3.029 -12.232   6.105
   38    HA   ARG   6           HA       ARG   6   1.295 -14.457   5.494
   39    HB2  ARG   6           HB2      ARG   6   2.180 -13.757   3.261
   40    HB3  ARG   6           HB3      ARG   6   3.798 -13.621   3.959
   41    HG2  ARG   6           HG2      ARG   6   3.579 -16.166   4.469
   42    HG3  ARG   6           HG3      ARG   6   2.223 -16.141   3.334
   43    HD2  ARG   6           HD2      ARG   6   3.682 -15.371   1.560
   44    HD3  ARG   6           HD3      ARG   6   4.971 -14.987   2.709
   45    HE   ARG   6           HE       ARG   6   4.290 -17.635   1.604
   46   HH11  ARG   6          HH11      ARG   6   6.103 -15.968   4.213
   47   HH12  ARG   6          HH12      ARG   6   6.983 -17.412   4.639
   48   HH21  ARG   6          HH21      ARG   6   5.456 -19.375   2.126
   49   HH22  ARG   6          HH22      ARG   6   6.571 -19.416   3.504
   50    H    ASP   7           H        ASP   7   2.316 -16.267   6.472
   51    HA   ASP   7           HA       ASP   7   4.965 -16.080   7.707
   52    HB2  ASP   7           HB2      ASP   7   3.422 -15.401   9.538
   53    HB3  ASP   7           HB3      ASP   7   2.446 -16.845   9.256
   54    H    GLU   8           H        GLU   8   5.674 -18.434   8.190
   55    HA   GLU   8           HA       GLU   8   4.929 -20.152   6.039
   56    HB2  GLU   8           HB2      GLU   8   6.202 -21.017   8.660
   57    HB3  GLU   8           HB3      GLU   8   6.267 -21.842   7.104
   58    HG2  GLU   8           HG2      GLU   8   7.661 -19.293   7.955
   59    HG3  GLU   8           HG3      GLU   8   8.389 -20.804   7.424
   60    H    THR   9           H        THR   9   3.554 -19.737   9.299
   61    HA   THR   9           HA       THR   9   1.890 -22.055   9.333
   62    HB   THR   9           HB       THR   9   1.212 -19.329  10.459
   63    HG1  THR   9           HG1      THR   9   3.223 -19.630  11.125
   64   HG21  THR   9          HG21      THR   9   0.671 -22.163  11.456
   65   HG22  THR   9          HG22      THR   9   0.192 -20.657  12.279
   66   HG23  THR   9          HG23      THR   9  -0.513 -21.069  10.709
   67    H    ARG  10           H        ARG  10   1.414 -18.808   7.777
   68    HA   ARG  10           HA       ARG  10  -1.285 -19.450   6.953
   69    HB2  ARG  10           HB2      ARG  10  -0.439 -17.078   7.184
   70    HB3  ARG  10           HB3      ARG  10   0.668 -17.368   5.842
   71    HG2  ARG  10           HG2      ARG  10  -1.213 -16.199   4.964
   72    HG3  ARG  10           HG3      ARG  10  -1.290 -17.847   4.360
   73    HD2  ARG  10           HD2      ARG  10  -2.881 -18.214   6.481
   74    HD3  ARG  10           HD3      ARG  10  -3.053 -16.470   6.409
   75    HE   ARG  10           HE       ARG  10  -4.096 -18.512   4.610
   76   HH11  ARG  10          HH11      ARG  10  -3.406 -15.022   4.833
   77   HH12  ARG  10          HH12      ARG  10  -4.580 -14.592   3.618
   78   HH21  ARG  10          HH21      ARG  10  -5.625 -17.899   2.997
   79   HH22  ARG  10          HH22      ARG  10  -5.811 -16.228   2.563
   80    H    GLU  11           H        GLU  11   1.961 -19.704   5.431
   81    HA   GLU  11           HA       GLU  11   1.077 -20.567   2.894
   82    HB2  GLU  11           HB2      GLU  11   3.410 -19.847   3.678
   83    HB3  GLU  11           HB3      GLU  11   3.595 -21.458   4.362
   84    HG2  GLU  11           HG2      GLU  11   4.649 -21.572   2.280
   85    HG3  GLU  11           HG3      GLU  11   3.109 -22.387   2.024
   86    H    HIS  12           H        HIS  12   1.919 -22.455   5.808
   87    HA   HIS  12           HA       HIS  12   1.308 -25.051   4.837
   88    HB2  HIS  12           HB2      HIS  12   2.531 -24.967   6.835
   89    HB3  HIS  12           HB3      HIS  12   1.512 -23.717   7.536
   90    HD1  HIS  12           HD1      HIS  12   0.890 -27.471   6.610
   91    HD2  HIS  12           HD2      HIS  12  -0.012 -24.441   9.389
   92    HE1  HIS  12           HE1      HIS  12  -0.613 -28.540   8.365
   93    H    ARG  13           H        ARG  13  -0.793 -22.728   6.689
   94    HA   ARG  13           HA       ARG  13  -3.028 -24.473   6.677
   95    HB2  ARG  13           HB2      ARG  13  -2.768 -21.462   7.025
   96    HB3  ARG  13           HB3      ARG  13  -4.318 -22.302   7.159
   97    HG2  ARG  13           HG2      ARG  13  -3.510 -23.696   8.980
   98    HG3  ARG  13           HG3      ARG  13  -1.875 -23.027   8.845
   99    HD2  ARG  13           HD2      ARG  13  -2.685 -20.802   9.448
  100    HD3  ARG  13           HD3      ARG  13  -4.359 -21.401   9.524
  101    HE   ARG  13           HE       ARG  13  -2.893 -23.027  11.248
  102   HH11  ARG  13          HH11      ARG  13  -3.714 -19.577  11.062
  103   HH12  ARG  13          HH12      ARG  13  -3.614 -19.314  12.762
  104   HH21  ARG  13          HH21      ARG  13  -2.761 -22.679  13.519
  105   HH22  ARG  13          HH22      ARG  13  -3.068 -21.124  14.188
  106    H    ILE  14           H        ILE  14  -2.308 -21.764   4.344
  107    HA   ILE  14           HA       ILE  14  -4.741 -22.168   2.964
  108    HB   ILE  14           HB       ILE  14  -3.283 -20.150   2.810
  109   HG12  ILE  14          HG12      ILE  14  -4.184 -21.407   0.177
  110   HG13  ILE  14          HG13      ILE  14  -5.210 -20.568   1.336
  111   HG21  ILE  14          HG21      ILE  14  -1.676 -21.656   0.705
  112   HG22  ILE  14          HG22      ILE  14  -1.462 -19.979   1.249
  113   HG23  ILE  14          HG23      ILE  14  -1.110 -21.299   2.348
  114   HD11  ILE  14          HD11      ILE  14  -3.012 -19.325  -0.353
  115   HD12  ILE  14          HD12      ILE  14  -4.758 -19.063  -0.448
  116   HD13  ILE  14          HD13      ILE  14  -3.860 -18.476   0.966
  117    H    GLU  15           H        GLU  15  -1.505 -23.650   2.509
  118    HA   GLU  15           HA       GLU  15  -2.131 -25.193   0.256
  119    HB2  GLU  15           HB2      GLU  15   0.114 -24.775   0.959
  120    HB3  GLU  15           HB3      GLU  15  -0.108 -25.714   2.448
  121    HG2  GLU  15           HG2      GLU  15  -0.226 -27.763   1.288
  122    HG3  GLU  15           HG3      GLU  15  -0.647 -26.989  -0.244
  123    H    THR  16           H        THR  16  -2.507 -26.029   3.764
  124    HA   THR  16           HA       THR  16  -3.384 -28.701   2.974
  125    HB   THR  16           HB       THR  16  -3.418 -29.066   5.459
  126    HG1  THR  16           HG1      THR  16  -2.149 -26.529   5.548
  127   HG21  THR  16          HG21      THR  16  -0.809 -27.988   4.297
  128   HG22  THR  16          HG22      THR  16  -0.985 -29.089   5.685
  129   HG23  THR  16          HG23      THR  16  -1.458 -29.624   4.068
  130    H    GLU  17           H        GLU  17  -5.080 -25.744   3.657
  131    HA   GLU  17           HA       GLU  17  -7.547 -27.318   4.276
  132    HB2  GLU  17           HB2      GLU  17  -6.899 -24.489   5.149
  133    HB3  GLU  17           HB3      GLU  17  -8.269 -25.491   5.625
  134    HG2  GLU  17           HG2      GLU  17  -6.571 -27.153   6.581
  135    HG3  GLU  17           HG3      GLU  17  -5.346 -25.904   6.355
  136    H    ILE  18           H        ILE  18  -6.310 -24.616   2.248
  137    HA   ILE  18           HA       ILE  18  -9.058 -24.232   1.204
  138    HB   ILE  18           HB       ILE  18  -6.559 -22.521   1.235
  139   HG12  ILE  18          HG12      ILE  18  -9.365 -22.158   2.400
  140   HG13  ILE  18          HG13      ILE  18  -7.965 -22.702   3.318
  141   HG21  ILE  18          HG21      ILE  18  -7.901 -20.758   0.080
  142   HG22  ILE  18          HG22      ILE  18  -7.615 -22.145  -0.950
  143   HG23  ILE  18          HG23      ILE  18  -9.192 -21.960  -0.171
  144   HD11  ILE  18          HD11      ILE  18  -6.842 -20.530   2.926
  145   HD12  ILE  18          HD12      ILE  18  -8.307 -19.941   2.095
  146   HD13  ILE  18          HD13      ILE  18  -8.373 -20.389   3.801
  147    H    ILE  19           H        ILE  19  -5.811 -25.238   0.186
  148    HA   ILE  19           HA       ILE  19  -6.994 -26.111  -2.411
  149    HB   ILE  19           HB       ILE  19  -4.977 -25.540  -3.541
  150   HG12  ILE  19          HG12      ILE  19  -3.894 -25.147  -0.812
  151   HG13  ILE  19          HG13      ILE  19  -3.130 -25.841  -2.227
  152   HG21  ILE  19          HG21      ILE  19  -5.138 -23.152  -3.579
  153   HG22  ILE  19          HG22      ILE  19  -6.740 -23.785  -3.225
  154   HG23  ILE  19          HG23      ILE  19  -5.756 -23.099  -1.919
  155   HD11  ILE  19          HD11      ILE  19  -1.936 -23.859  -1.603
  156   HD12  ILE  19          HD12      ILE  19  -2.804 -23.495  -3.108
  157   HD13  ILE  19          HD13      ILE  19  -3.414 -22.895  -1.542
  158    H    VAL  20           H        VAL  20  -7.048 -27.508  -0.083
  159    HA   VAL  20           HA       VAL  20  -5.560 -28.949   1.220
  160    HB   VAL  20           HB       VAL  20  -7.095 -30.854   1.226
  161   HG11  VAL  20          HG11      VAL  20  -9.096 -29.636   1.823
  162   HG12  VAL  20          HG12      VAL  20  -7.691 -28.707   2.340
  163   HG13  VAL  20          HG13      VAL  20  -8.596 -28.216   0.891
  164   HG21  VAL  20          HG21      VAL  20  -7.603 -31.202  -1.147
  165   HG22  VAL  20          HG22      VAL  20  -9.087 -30.867  -0.268
  166   HG23  VAL  20          HG23      VAL  20  -8.356 -29.593  -1.260
  167    H    ASP  21           H        ASP  21  -5.781 -30.208  -2.152
  168    HA   ASP  21           HA       ASP  21  -3.300 -31.771  -1.655
  169    HB2  ASP  21           HB2      ASP  21  -5.307 -33.204  -1.230
  170    HB3  ASP  21           HB3      ASP  21  -5.855 -32.885  -2.875
  171    H    ALA  22           H        ALA  22  -4.476 -29.336  -3.331
  172    HA   ALA  22           HA       ALA  22  -4.219 -30.138  -6.121
  173    HB1  ALA  22           HB1      ALA  22  -4.479 -27.472  -4.669
  174    HB2  ALA  22           HB2      ALA  22  -4.450 -27.640  -6.424
  175    HB3  ALA  22           HB3      ALA  22  -5.776 -28.366  -5.491
  176    H    GLU  23           H        GLU  23  -2.486 -29.746  -7.468
  177    HA   GLU  23           HA       GLU  23   0.001 -28.580  -6.307
  178    HB2  GLU  23           HB2      GLU  23   1.304 -30.425  -7.165
  179    HB3  GLU  23           HB3      GLU  23   0.094 -31.006  -6.026
  180    HG2  GLU  23           HG2      GLU  23  -1.328 -31.793  -7.887
  181    HG3  GLU  23           HG3      GLU  23  -0.186 -31.141  -9.064
  182    H    ASP  24           H        ASP  24  -2.253 -28.435  -8.808
  183    HA   ASP  24           HA       ASP  24  -0.265 -27.066 -10.582
  184    HB2  ASP  24           HB2      ASP  24  -1.159 -29.089 -11.648
  185    HB3  ASP  24           HB3      ASP  24  -2.811 -28.550 -11.327
  186    H    LYS  25           H        LYS  25  -0.890 -25.060 -11.412
  187    HA   LYS  25           HA       LYS  25  -2.279 -23.392  -9.714
  188    HB2  LYS  25           HB2      LYS  25  -2.123 -21.692 -11.443
  189    HB3  LYS  25           HB3      LYS  25  -0.638 -22.647 -11.399
  190    HG2  LYS  25           HG2      LYS  25  -1.553 -24.006 -13.347
  191    HG3  LYS  25           HG3      LYS  25  -2.917 -22.875 -13.420
  192    HD2  LYS  25           HD2      LYS  25  -1.366 -21.010 -13.873
  193    HD3  LYS  25           HD3      LYS  25   0.012 -22.141 -13.794
  194    HE2  LYS  25           HE2      LYS  25  -1.038 -23.506 -15.604
  195    HE3  LYS  25           HE3      LYS  25  -2.366 -22.351 -15.702
  196    HZ1  LYS  25           HZ1      LYS  25  -0.700 -21.927 -17.402
  197    HZ2  LYS  25           HZ2      LYS  25  -0.749 -20.657 -16.384
  198    HZ3  LYS  25           HZ3      LYS  25   0.478 -21.735 -16.295
  199    H    GLU  26           H        GLU  26  -3.736 -25.239 -12.451
  200    HA   GLU  26           HA       GLU  26  -6.179 -23.694 -12.441
  201    HB2  GLU  26           HB2      GLU  26  -5.549 -26.527 -13.385
  202    HB3  GLU  26           HB3      GLU  26  -7.101 -25.722 -13.616
  203    HG2  GLU  26           HG2      GLU  26  -6.061 -23.957 -14.954
  204    HG3  GLU  26           HG3      GLU  26  -4.457 -24.629 -14.667
  205    H    GLU  27           H        GLU  27  -5.067 -26.641 -10.748
  206    HA   GLU  27           HA       GLU  27  -7.580 -27.278  -9.498
  207    HB2  GLU  27           HB2      GLU  27  -4.743 -27.865  -8.578
  208    HB3  GLU  27           HB3      GLU  27  -6.206 -28.688  -8.029
  209    HG2  GLU  27           HG2      GLU  27  -6.524 -29.630 -10.281
  210    HG3  GLU  27           HG3      GLU  27  -5.080 -28.786 -10.860
  211    H    ARG  28           H        ARG  28  -4.686 -25.374  -8.518
  212    HA   ARG  28           HA       ARG  28  -5.729 -24.782  -5.891
  213    HB2  ARG  28           HB2      ARG  28  -3.510 -23.466  -7.528
  214    HB3  ARG  28           HB3      ARG  28  -3.903 -23.071  -5.839
  215    HG2  ARG  28           HG2      ARG  28  -3.580 -25.458  -5.236
  216    HG3  ARG  28           HG3      ARG  28  -3.018 -25.801  -6.873
  217    HD2  ARG  28           HD2      ARG  28  -1.040 -24.483  -6.549
  218    HD3  ARG  28           HD3      ARG  28  -1.687 -23.779  -5.053
  219    HE   ARG  28           HE       ARG  28  -1.472 -26.715  -5.091
  220   HH11  ARG  28          HH11      ARG  28   0.161 -23.730  -4.063
  221   HH12  ARG  28          HH12      ARG  28   1.032 -24.524  -2.789
  222   HH21  ARG  28          HH21      ARG  28  -0.394 -27.705  -3.452
  223   HH22  ARG  28          HH22      ARG  28   0.726 -26.823  -2.420
  224    H    ALA  29           H        ALA  29  -6.123 -23.180  -9.035
  225    HA   ALA  29           HA       ALA  29  -7.328 -20.778  -7.965
  226    HB1  ALA  29           HB1      ALA  29  -8.165 -20.450 -10.238
  227    HB2  ALA  29           HB2      ALA  29  -6.458 -20.918 -10.293
  228    HB3  ALA  29           HB3      ALA  29  -7.723 -22.108 -10.684
  229    H    MET  30           H        MET  30  -8.553 -24.049  -8.930
  230    HA   MET  30           HA       MET  30 -11.299 -23.376  -8.395
  231    HB2  MET  30           HB2      MET  30  -9.855 -26.046  -8.559
  232    HB3  MET  30           HB3      MET  30 -11.598 -25.872  -8.328
  233    HG2  MET  30           HG2      MET  30 -10.052 -24.715 -10.671
  234    HG3  MET  30           HG3      MET  30 -10.947 -26.231 -10.688
  235    HE1  MET  30           HE1      MET  30 -11.123 -22.360 -10.220
  236    HE2  MET  30           HE2      MET  30 -11.408 -22.554 -11.955
  237    HE3  MET  30           HE3      MET  30 -12.710 -21.971 -10.915
  238    H    GLY  31           H        GLY  31  -8.716 -24.730  -6.302
  239    HA2  GLY  31           HA2      GLY  31 -10.280 -25.161  -3.993
  240    HA3  GLY  31           HA3      GLY  31  -8.587 -24.652  -3.993
  241    H    TRP  32           H        TRP  32  -8.558 -22.126  -4.967
  242    HA   TRP  32           HA       TRP  32  -9.636 -20.379  -3.055
  243    HB2  TRP  32           HB2      TRP  32  -8.610 -20.039  -5.869
  244    HB3  TRP  32           HB3      TRP  32  -9.446 -18.710  -5.098
  245    HD1  TRP  32           HD1      TRP  32  -6.143 -20.549  -5.006
  246    HE1  TRP  32           HE1      TRP  32  -4.473 -19.219  -3.610
  247    HE3  TRP  32           HE3      TRP  32  -9.361 -17.129  -2.962
  248    HZ2  TRP  32           HZ2      TRP  32  -4.518 -16.935  -1.824
  249    HZ3  TRP  32           HZ3      TRP  32  -8.514 -15.396  -1.405
  250    HH2  TRP  32           HH2      TRP  32  -6.098 -15.275  -0.849
  251    H    TYR  33           H        TYR  33 -10.981 -21.179  -6.330
  252    HA   TYR  33           HA       TYR  33 -13.204 -19.507  -6.203
  253    HB2  TYR  33           HB2      TYR  33 -12.411 -20.747  -8.215
  254    HB3  TYR  33           HB3      TYR  33 -13.031 -22.242  -7.531
  255    HD1  TYR  33           HD1      TYR  33 -15.560 -22.474  -7.094
  256    HD2  TYR  33           HD2      TYR  33 -13.844 -19.266  -9.400
  257    HE1  TYR  33           HE1      TYR  33 -17.782 -21.982  -8.035
  258    HE2  TYR  33           HE2      TYR  33 -16.029 -18.873 -10.485
  259    HH   TYR  33           HH       TYR  33 -18.219 -19.513 -10.651
  260    H    TYR  34           H        TYR  34 -12.974 -22.945  -5.060
  261    HA   TYR  34           HA       TYR  34 -15.745 -23.194  -4.557
  262    HB2  TYR  34           HB2      TYR  34 -13.414 -24.651  -3.248
  263    HB3  TYR  34           HB3      TYR  34 -15.098 -25.136  -3.140
  264    HD1  TYR  34           HD1      TYR  34 -15.973 -24.781  -6.052
  265    HD2  TYR  34           HD2      TYR  34 -12.450 -26.540  -4.275
  266    HE1  TYR  34           HE1      TYR  34 -15.698 -26.225  -8.031
  267    HE2  TYR  34           HE2      TYR  34 -12.185 -28.009  -6.242
  268    HH   TYR  34           HH       TYR  34 -13.040 -28.630  -8.324
  269    H    TYR  35           H        TYR  35 -13.049 -22.413  -2.217
  270    HA   TYR  35           HA       TYR  35 -15.003 -22.161  -0.106
  271    HB2  TYR  35           HB2      TYR  35 -13.324 -21.953   1.318
  272    HB3  TYR  35           HB3      TYR  35 -12.348 -22.548  -0.005
  273    HD1  TYR  35           HD1      TYR  35 -10.978 -20.912  -1.349
  274    HD2  TYR  35           HD2      TYR  35 -13.115 -19.705   2.190
  275    HE1  TYR  35           HE1      TYR  35  -9.574 -18.882  -1.207
  276    HE2  TYR  35           HE2      TYR  35 -11.744 -17.658   2.337
  277    HH   TYR  35           HH       TYR  35 -10.002 -16.434   1.411
  278    H    LEU  36           H        LEU  36 -13.542 -19.836  -2.408
  279    HA   LEU  36           HA       LEU  36 -14.452 -17.478  -1.132
  280    HB2  LEU  36           HB2      LEU  36 -12.781 -17.448  -2.903
  281    HB3  LEU  36           HB3      LEU  36 -13.939 -18.120  -4.059
  282    HG   LEU  36           HG       LEU  36 -15.302 -16.065  -3.936
  283   HD11  LEU  36          HD11      LEU  36 -14.811 -15.262  -1.663
  284   HD12  LEU  36          HD12      LEU  36 -13.096 -15.036  -2.086
  285   HD13  LEU  36          HD13      LEU  36 -14.347 -14.029  -2.840
  286   HD21  LEU  36          HD21      LEU  36 -13.781 -14.671  -5.184
  287   HD22  LEU  36          HD22      LEU  36 -12.363 -15.501  -4.497
  288   HD23  LEU  36          HD23      LEU  36 -13.473 -16.355  -5.592
  289    H    ASP  37           H        ASP  37 -15.992 -19.413  -3.800
  290    HA   ASP  37           HA       ASP  37 -18.339 -17.835  -4.015
  291    HB2  ASP  37           HB2      ASP  37 -17.667 -19.521  -5.684
  292    HB3  ASP  37           HB3      ASP  37 -17.914 -20.811  -4.507
  293    H    ASP  38           H        ASP  38 -17.632 -20.700  -1.976
  294    HA   ASP  38           HA       ASP  38 -20.166 -20.851  -0.694
  295    HB2  ASP  38           HB2      ASP  38 -18.502 -22.645  -0.628
  296    HB3  ASP  38           HB3      ASP  38 -17.409 -21.631   0.316
  297    H    THR  39           H        THR  39 -17.505 -18.588  -0.146
  298    HA   THR  39           HA       THR  39 -18.483 -17.837   2.536
  299    HB   THR  39           HB       THR  39 -16.116 -16.880   0.869
  300    HG1  THR  39           HG1      THR  39 -15.797 -18.917   1.508
  301   HG21  THR  39          HG21      THR  39 -16.972 -16.201   3.708
  302   HG22  THR  39          HG22      THR  39 -15.304 -16.002   3.122
  303   HG23  THR  39          HG23      THR  39 -16.621 -15.092   2.373
  304    H    LEU  40           H        LEU  40 -18.334 -16.512  -0.794
  305    HA   LEU  40           HA       LEU  40 -18.897 -13.828  -0.192
  306    HB2  LEU  40           HB2      LEU  40 -19.585 -15.498  -2.630
  307    HB3  LEU  40           HB3      LEU  40 -19.920 -13.771  -2.537
  308    HG   LEU  40           HG       LEU  40 -17.162 -15.019  -2.414
  309   HD11  LEU  40          HD11      LEU  40 -18.249 -15.207  -4.613
  310   HD12  LEU  40          HD12      LEU  40 -18.542 -13.457  -4.628
  311   HD13  LEU  40          HD13      LEU  40 -16.882 -14.089  -4.663
  312   HD21  LEU  40          HD21      LEU  40 -16.931 -13.034  -1.206
  313   HD22  LEU  40          HD22      LEU  40 -16.374 -12.666  -2.832
  314   HD23  LEU  40          HD23      LEU  40 -17.990 -12.126  -2.339
  315    H    GLU  41           H        GLU  41 -20.549 -12.937   0.794
  316    HA   GLU  41           HA       GLU  41 -23.179 -14.084   0.999
  317    HB2  GLU  41           HB2      GLU  41 -21.951 -12.781   2.750
  318    HB3  GLU  41           HB3      GLU  41 -22.023 -11.350   1.720
  319    HG2  GLU  41           HG2      GLU  41 -23.663 -11.189   3.414
  320    HG3  GLU  41           HG3      GLU  41 -24.498 -11.412   1.884
  321    H    PHE  42           H        PHE  42 -22.774 -14.119  -1.603
  322    HA   PHE  42           HA       PHE  42 -23.457 -11.668  -2.970
  323    HB2  PHE  42           HB2      PHE  42 -23.382 -12.919  -5.000
  324    HB3  PHE  42           HB3      PHE  42 -22.029 -13.390  -4.005
  325    HD1  PHE  42           HD2      PHE  42 -25.372 -14.448  -5.289
  326    HD2  PHE  42           HD1      PHE  42 -21.725 -15.722  -3.357
  327    HE1  PHE  42           HE2      PHE  42 -26.021 -16.818  -5.608
  328    HE2  PHE  42           HE1      PHE  42 -22.381 -18.080  -3.679
  329    HZ   PHE  42           HZ       PHE  42 -24.532 -18.642  -4.799
  330    HA   PRO  43           HA       PRO  43 -24.599 -11.053  -4.972
  331    HB2  PRO  43           HB2      PRO  43 -26.551  -9.232  -5.485
  332    HB3  PRO  43           HB3      PRO  43 -26.532 -10.860  -6.228
  333    HG2  PRO  43           HG2      PRO  43 -28.100  -9.949  -3.798
  334    HG3  PRO  43           HG3      PRO  43 -28.689 -10.876  -5.215
  335    HD2  PRO  43           HD2      PRO  43 -27.945 -12.085  -2.869
  336    HD3  PRO  43           HD3      PRO  43 -27.672 -12.860  -4.456
  337    H    PHE  44           H        PHE  44 -23.677  -8.973  -4.704
  338    HA   PHE  44           HA       PHE  44 -24.271  -7.378  -2.302
  339    HB2  PHE  44           HB2      PHE  44 -22.064  -7.397  -1.453
  340    HB3  PHE  44           HB3      PHE  44 -22.640  -9.043  -1.510
  341    HD1  PHE  44           HD1      PHE  44 -21.756 -10.599  -3.391
  342    HD2  PHE  44           HD2      PHE  44 -19.975  -6.807  -2.409
  343    HE1  PHE  44           HE1      PHE  44 -19.638 -11.330  -4.436
  344    HE2  PHE  44           HE2      PHE  44 -17.882  -7.508  -3.528
  345    HZ   PHE  44           HZ       PHE  44 -17.696  -9.780  -4.522
  346    H    MET  45           H        MET  45 -22.129  -5.551  -2.569
  347    HA   MET  45           HA       MET  45 -22.208  -4.804  -5.436
  348    HB2  MET  45           HB2      MET  45 -22.891  -2.631  -5.095
  349    HB3  MET  45           HB3      MET  45 -24.032  -3.593  -4.178
  350    HG2  MET  45           HG2      MET  45 -23.287  -2.803  -2.134
  351    HG3  MET  45           HG3      MET  45 -21.650  -2.502  -2.690
  352    HE1  MET  45           HE1      MET  45 -21.731   0.908  -4.456
  353    HE2  MET  45           HE2      MET  45 -20.774  -0.511  -4.006
  354    HE3  MET  45           HE3      MET  45 -21.945  -0.623  -5.327
  355    H    GLY  46           H        GLY  46 -20.717  -3.098  -6.012
  356    HA2  GLY  46           HA2      GLY  46 -18.416  -2.615  -4.255
  357    HA3  GLY  46           HA3      GLY  46 -18.107  -3.764  -5.572
  358    H    LYS  47           H        LYS  47 -16.585  -1.802  -5.699
  359    HA   LYS  47           HA       LYS  47 -17.650  -0.106  -7.921
  360    HB2  LYS  47           HB2      LYS  47 -16.851   1.054  -5.713
  361    HB3  LYS  47           HB3      LYS  47 -15.235   0.553  -6.186
  362    HG2  LYS  47           HG2      LYS  47 -15.390   2.723  -7.040
  363    HG3  LYS  47           HG3      LYS  47 -15.761   1.734  -8.453
  364    HD2  LYS  47           HD2      LYS  47 -17.409   3.434  -8.488
  365    HD3  LYS  47           HD3      LYS  47 -18.245   2.036  -7.830
  366    HE2  LYS  47           HE2      LYS  47 -18.117   2.893  -5.580
  367    HE3  LYS  47           HE3      LYS  47 -17.005   4.179  -6.066
  368    HZ1  LYS  47           HZ1      LYS  47 -19.349   4.907  -5.810
  369    HZ2  LYS  47           HZ2      LYS  47 -18.749   5.228  -7.289
  370    HZ3  LYS  47           HZ3      LYS  47 -19.783   3.985  -7.098
  371    H    TRP  48           H        TRP  48 -16.876  -0.762  -9.834
  372    HA   TRP  48           HA       TRP  48 -14.472  -2.478  -9.993
  373    HB2  TRP  48           HB2      TRP  48 -16.470  -2.802 -11.499
  374    HB3  TRP  48           HB3      TRP  48 -16.107  -1.255 -12.242
  375    HD1  TRP  48           HD1      TRP  48 -12.768  -2.350 -11.969
  376    HE1  TRP  48           HE1      TRP  48 -11.918  -3.771 -13.842
  377    HE3  TRP  48           HE3      TRP  48 -17.265  -3.605 -14.113
  378    HZ2  TRP  48           HZ2      TRP  48 -12.999  -5.375 -15.985
  379    HZ3  TRP  48           HZ3      TRP  48 -17.286  -5.125 -16.080
  380    HH2  TRP  48           HH2      TRP  48 -15.171  -6.025 -17.004
  381    H    LYS  49           H        LYS  49 -12.640  -1.453  -9.610
  382    HA   LYS  49           HA       LYS  49 -12.248   1.406 -10.022
  383    HB2  LYS  49           HB2      LYS  49 -10.226  -0.728  -9.216
  384    HB3  LYS  49           HB3      LYS  49 -10.113   1.008  -8.932
  385    HG2  LYS  49           HG2      LYS  49 -12.142  -0.898  -7.664
  386    HG3  LYS  49           HG3      LYS  49 -10.662  -0.371  -6.909
  387    HD2  LYS  49           HD2      LYS  49 -12.854   1.594  -7.719
  388    HD3  LYS  49           HD3      LYS  49 -12.811   0.736  -6.177
  389    HE2  LYS  49           HE2      LYS  49 -10.367   1.626  -5.977
  390    HE3  LYS  49           HE3      LYS  49 -10.854   2.805  -7.208
  391    HZ1  LYS  49           HZ1      LYS  49 -12.253   2.375  -4.619
  392    HZ2  LYS  49           HZ2      LYS  49 -11.155   3.563  -4.891
  393    HZ3  LYS  49           HZ3      LYS  49 -12.563   3.591  -5.716
  394    H    LYS  50           H        LYS  50 -12.868   0.998 -12.356
  395    HA   LYS  50           HA       LYS  50 -11.467  -0.672 -14.173
  396    HB2  LYS  50           HB2      LYS  50 -13.740   0.412 -14.452
  397    HB3  LYS  50           HB3      LYS  50 -12.954   1.972 -14.566
  398    HG2  LYS  50           HG2      LYS  50 -13.492   1.409 -16.767
  399    HG3  LYS  50           HG3      LYS  50 -11.761   1.164 -16.653
  400    HD2  LYS  50           HD2      LYS  50 -12.784  -0.594 -17.955
  401    HD3  LYS  50           HD3      LYS  50 -12.142  -1.307 -16.466
  402    HE2  LYS  50           HE2      LYS  50 -14.344  -1.490 -15.502
  403    HE3  LYS  50           HE3      LYS  50 -15.049  -0.431 -16.734
  404    HZ1  LYS  50           HZ1      LYS  50 -14.680  -2.147 -18.377
  405    HZ2  LYS  50           HZ2      LYS  50 -13.953  -3.127 -17.282
  406    HZ3  LYS  50           HZ3      LYS  50 -15.535  -2.773 -17.134
  407    H    LYS  51           H        LYS  51  -9.496  -0.326 -15.327
  408    HA   LYS  51           HA       LYS  51  -8.145   2.318 -14.889
  409    HB2  LYS  51           HB2      LYS  51  -7.251   0.219 -13.751
  410    HB3  LYS  51           HB3      LYS  51  -6.796  -0.362 -15.356
  411    HG2  LYS  51           HG2      LYS  51  -5.294   1.562 -15.657
  412    HG3  LYS  51           HG3      LYS  51  -5.888   2.290 -14.148
  413    HD2  LYS  51           HD2      LYS  51  -4.930   0.438 -12.846
  414    HD3  LYS  51           HD3      LYS  51  -4.482  -0.407 -14.328
  415    HE2  LYS  51           HE2      LYS  51  -2.517   0.636 -13.364
  416    HE3  LYS  51           HE3      LYS  51  -2.890   1.362 -14.927
  417    HZ1  LYS  51           HZ1      LYS  51  -3.810   3.273 -13.785
  418    HZ2  LYS  51           HZ2      LYS  51  -3.576   2.574 -12.306
  419    HZ3  LYS  51           HZ3      LYS  51  -2.303   2.999 -13.226
  420    H    SER  52           H        SER  52  -9.579   0.384 -17.280
  421    HA   SER  52           HA       SER  52  -7.830   0.484 -19.401
  422    HB2  SER  52           HB2      SER  52 -10.854   0.371 -19.605
  423    HB3  SER  52           HB3      SER  52  -9.648  -0.491 -20.578
  424    HG   SER  52           HG       SER  52 -10.515  -1.905 -19.072
  425    H    ARG  53           H        ARG  53  -8.396   3.350 -18.331
  426    HA   ARG  53           HA       ARG  53 -10.089   4.611 -20.295
  427    HB2  ARG  53           HB2      ARG  53  -9.499   5.207 -17.752
  428    HB3  ARG  53           HB3      ARG  53  -8.234   6.183 -18.506
  429    HG2  ARG  53           HG2      ARG  53 -10.145   7.215 -19.957
  430    HG3  ARG  53           HG3      ARG  53 -11.256   6.306 -18.931
  431    HD2  ARG  53           HD2      ARG  53 -11.183   8.457 -17.996
  432    HD3  ARG  53           HD3      ARG  53 -10.157   7.467 -16.937
  433    HE   ARG  53           HE       ARG  53  -8.428   8.553 -18.825
  434   HH11  ARG  53          HH11      ARG  53 -10.533   9.722 -16.196
  435   HH12  ARG  53          HH12      ARG  53  -9.726  11.254 -16.062
  436   HH21  ARG  53          HH22      ARG  53  -7.285  10.465 -18.538
  437   HH22  ARG  53          HH21      ARG  53  -7.786  11.675 -17.407
  438    H    LYS  54           H        LYS  54  -7.311   3.370 -21.113
  439    HA   LYS  54           HA       LYS  54  -5.604   3.668 -22.499
  440    HB2  LYS  54           HB2      LYS  54  -7.042   6.121 -23.568
  441    HB3  LYS  54           HB3      LYS  54  -5.664   5.303 -24.298
  442    HG2  LYS  54           HG2      LYS  54  -7.005   3.224 -24.551
  443    HG3  LYS  54           HG3      LYS  54  -8.390   4.022 -23.798
  444    HD2  LYS  54           HD2      LYS  54  -8.717   4.019 -26.172
  445    HD3  LYS  54           HD3      LYS  54  -8.446   5.685 -25.642
  446    HE2  LYS  54           HE2      LYS  54  -6.081   5.541 -26.405
  447    HE3  LYS  54           HE3      LYS  54  -6.333   3.857 -26.884
  448    HZ1  LYS  54           HZ1      LYS  54  -7.722   6.191 -28.071
  449    HZ2  LYS  54           HZ2      LYS  54  -6.511   5.354 -28.766
  450    HZ3  LYS  54           HZ3      LYS  54  -7.950   4.635 -28.517
  451    H    THR  55           H        THR  55  -6.372   6.713 -20.722
  452    HA   THR  55           HA       THR  55  -3.570   7.476 -20.603
  453    HB   THR  55           HB       THR  55  -4.499   9.117 -18.916
  454    HG1  THR  55           HG1      THR  55  -6.277   8.433 -18.064
  455   HG21  THR  55          HG21      THR  55  -4.416   9.646 -21.356
  456   HG22  THR  55          HG22      THR  55  -6.066   9.007 -21.534
  457   HG23  THR  55          HG23      THR  55  -5.764  10.433 -20.522
  458    H    SER  56           H        SER  56  -5.132   4.855 -19.296
  459    HA   SER  56           HA       SER  56  -4.884   3.446 -17.612
  460    HB2  SER  56           HB2      SER  56  -2.196   4.734 -17.059
  461    HB3  SER  56           HB3      SER  56  -2.729   3.109 -16.609
  462    HG   SER  56           HG       SER  56  -1.445   3.134 -18.521
  463    H    THR  57           H        THR  57  -5.815   6.425 -17.074
  464    HA   THR  57           HA       THR  57  -5.516   6.804 -14.255
  465    HB   THR  57           HB       THR  57  -7.835   7.720 -15.973
  466    HG1  THR  57           HG1      THR  57  -5.237   8.856 -15.927
  467   HG21  THR  57          HG21      THR  57  -7.620   9.809 -14.647
  468   HG22  THR  57          HG22      THR  57  -7.953   8.405 -13.627
  469   HG23  THR  57          HG23      THR  57  -6.307   9.068 -13.706
  470    H    ILE  58           H        ILE  58  -6.802   6.054 -12.571
  471    HA   ILE  58           HA       ILE  58  -8.611   3.851 -13.042
  472    HB   ILE  58           HB       ILE  58  -7.889   5.528 -10.633
  473   HG12  ILE  58          HG12      ILE  58  -6.193   3.901 -11.549
  474   HG13  ILE  58          HG13      ILE  58  -6.648   3.649  -9.871
  475   HG21  ILE  58          HG21      ILE  58  -9.090   3.821  -9.226
  476   HG22  ILE  58          HG22      ILE  58 -10.156   4.869 -10.163
  477   HG23  ILE  58          HG23      ILE  58  -9.862   3.208 -10.709
  478   HD11  ILE  58          HD11      ILE  58  -6.396   1.539 -11.146
  479   HD12  ILE  58          HD12      ILE  58  -8.020   1.716 -10.475
  480   HD13  ILE  58          HD13      ILE  58  -7.735   2.016 -12.205
  481    H    GLU  59           H        GLU  59 -10.781   3.852 -12.990
  482    HA   GLU  59           HA       GLU  59 -12.352   6.313 -12.609
  483    HB2  GLU  59           HB2      GLU  59 -12.619   4.323 -14.914
  484    HB3  GLU  59           HB3      GLU  59 -13.900   5.434 -14.447
  485    HG2  GLU  59           HG2      GLU  59 -11.121   6.212 -15.410
  486    HG3  GLU  59           HG3      GLU  59 -12.591   6.255 -16.371
  487    H    GLU  60           H        GLU  60 -14.618   5.611 -11.995
  488    HA   GLU  60           HA       GLU  60 -14.470   3.077 -10.397
  489    HB2  GLU  60           HB2      GLU  60 -15.227   5.905  -9.536
  490    HB3  GLU  60           HB3      GLU  60 -15.429   4.461  -8.555
  491    HG2  GLU  60           HG2      GLU  60 -12.930   4.047  -8.780
  492    HG3  GLU  60           HG3      GLU  60 -12.794   5.641  -9.530
  493    H    LYS  61           H        LYS  61 -15.975   1.837 -11.414
  494    HA   LYS  61           HA       LYS  61 -18.613   3.045 -12.158
  495    HB2  LYS  61           HB2      LYS  61 -17.392   1.884 -13.954
  496    HB3  LYS  61           HB3      LYS  61 -17.272   0.428 -12.951
  497    HG2  LYS  61           HG2      LYS  61 -19.684   0.137 -12.959
  498    HG3  LYS  61           HG3      LYS  61 -19.910   1.635 -13.856
  499    HD2  LYS  61           HD2      LYS  61 -18.206  -0.660 -14.933
  500    HD3  LYS  61           HD3      LYS  61 -19.946  -0.675 -15.122
  501    HE2  LYS  61           HE2      LYS  61 -18.093   1.513 -16.167
  502    HE3  LYS  61           HE3      LYS  61 -18.777   0.198 -17.124
  503    HZ1  LYS  61           HZ1      LYS  61 -20.360   2.303 -15.774
  504    HZ2  LYS  61           HZ2      LYS  61 -20.089   2.193 -17.386
  505    HZ3  LYS  61           HZ3      LYS  61 -21.013   1.075 -16.613
  506    H    THR  62           H        THR  62 -20.152   2.802 -10.549
  507    HA   THR  62           HA       THR  62 -19.897   0.865  -8.452
  508    HB   THR  62           HB       THR  62 -22.449   2.272  -9.317
  509    HG1  THR  62           HG1      THR  62 -21.694   4.113  -8.554
  510   HG21  THR  62          HG21      THR  62 -22.531   0.691  -7.366
  511   HG22  THR  62          HG22      THR  62 -21.258   1.644  -6.576
  512   HG23  THR  62          HG23      THR  62 -22.854   2.367  -6.891
  513    H    VAL  63           H        VAL  63 -20.577  -1.203  -8.349
  514    HA   VAL  63           HA       VAL  63 -22.361  -2.247 -10.504
  515    HB   VAL  63           HB       VAL  63 -20.851  -4.233 -10.655
  516   HG11  VAL  63          HG11      VAL  63 -20.832  -2.410 -12.373
  517   HG12  VAL  63          HG12      VAL  63 -19.450  -1.674 -11.533
  518   HG13  VAL  63          HG13      VAL  63 -19.301  -3.288 -12.245
  519   HG21  VAL  63          HG21      VAL  63 -18.499  -4.086 -10.014
  520   HG22  VAL  63          HG22      VAL  63 -18.753  -2.493  -9.283
  521   HG23  VAL  63          HG23      VAL  63 -19.516  -3.935  -8.576
  522    H    GLU  64           H        GLU  64 -23.578  -4.050  -9.995
  523    HA   GLU  64           HA       GLU  64 -23.713  -4.789  -7.101
  524    HB2  GLU  64           HB2      GLU  64 -25.830  -4.029  -8.202
  525    HB3  GLU  64           HB3      GLU  64 -25.700  -5.371  -9.342
  526    HG2  GLU  64           HG2      GLU  64 -25.821  -6.978  -7.455
  527    HG3  GLU  64           HG3      GLU  64 -25.831  -5.640  -6.306
  528    H    VAL  65           H        VAL  65 -22.601  -6.641  -6.662
  529    HA   VAL  65           HA       VAL  65 -21.461  -8.192  -8.899
  530    HB   VAL  65           HB       VAL  65 -20.827  -8.402  -5.926
  531   HG11  VAL  65          HG11      VAL  65 -19.345  -9.186  -8.478
  532   HG12  VAL  65          HG12      VAL  65 -18.706  -9.387  -6.837
  533   HG13  VAL  65          HG13      VAL  65 -20.127 -10.311  -7.343
  534   HG21  VAL  65          HG21      VAL  65 -20.290  -6.088  -6.564
  535   HG22  VAL  65          HG22      VAL  65 -18.809  -7.022  -6.384
  536   HG23  VAL  65          HG23      VAL  65 -19.428  -6.658  -8.008
  537    H    LEU  66           H        LEU  66 -22.706  -9.801  -9.574
  538    HA   LEU  66           HA       LEU  66 -25.065 -10.535  -8.041
  539    HB2  LEU  66           HB2      LEU  66 -24.042 -11.655 -10.677
  540    HB3  LEU  66           HB3      LEU  66 -25.664 -11.831 -10.018
  541    HG   LEU  66           HG       LEU  66 -24.368  -9.256 -11.019
  542   HD11  LEU  66          HD11      LEU  66 -26.101  -9.367 -12.750
  543   HD12  LEU  66          HD12      LEU  66 -25.104 -10.832 -12.762
  544   HD13  LEU  66          HD13      LEU  66 -26.732 -10.875 -12.054
  545   HD21  LEU  66          HD21      LEU  66 -25.815  -8.664  -9.139
  546   HD22  LEU  66          HD22      LEU  66 -26.588  -8.194 -10.649
  547   HD23  LEU  66          HD23      LEU  66 -27.137  -9.656  -9.798
  548    H    GLY  67           H        GLY  67 -21.922 -12.053  -8.741
  549    HA2  GLY  67           HA2      GLY  67 -21.782 -13.902  -6.750
  550    HA3  GLY  67           HA3      GLY  67 -22.713 -14.722  -8.025
  551    H    MET  68           H        MET  68 -20.463 -15.921  -7.686
  552    HA   MET  68           HA       MET  68 -18.176 -14.903  -9.145
  553    HB2  MET  68           HB2      MET  68 -19.045 -17.733  -8.403
  554    HB3  MET  68           HB3      MET  68 -17.548 -17.364  -9.249
  555    HG2  MET  68           HG2      MET  68 -18.300 -16.377  -6.486
  556    HG3  MET  68           HG3      MET  68 -17.182 -17.686  -6.846
  557    HE1  MET  68           HE1      MET  68 -15.403 -16.664  -9.246
  558    HE2  MET  68           HE2      MET  68 -14.077 -15.905  -8.356
  559    HE3  MET  68           HE3      MET  68 -14.764 -17.433  -7.770
  560    H    ALA  69           H        ALA  69 -17.456 -15.440 -11.181
  561    HA   ALA  69           HA       ALA  69 -19.429 -15.825 -13.293
  562    HB1  ALA  69           HB1      ALA  69 -17.425 -15.674 -14.730
  563    HB2  ALA  69           HB2      ALA  69 -17.359 -14.414 -13.495
  564    HB3  ALA  69           HB3      ALA  69 -16.382 -15.892 -13.318
  565    HA   PRO  70           HA       PRO  70 -19.148 -20.304 -13.788
  566    HB2  PRO  70           HB2      PRO  70 -17.761 -19.768 -16.429
  567    HB3  PRO  70           HB3      PRO  70 -19.043 -20.965 -16.056
  568    HG2  PRO  70           HG2      PRO  70 -19.699 -18.633 -17.255
  569    HG3  PRO  70           HG3      PRO  70 -20.704 -19.239 -15.897
  570    HD2  PRO  70           HD2      PRO  70 -18.552 -17.124 -15.850
  571    HD3  PRO  70           HD3      PRO  70 -20.156 -17.109 -15.057
  572    H    ASP  71           H        ASP  71 -17.703 -21.833 -13.128
  573    HA   ASP  71           HA       ASP  71 -15.192 -21.111 -12.126
  574    HB2  ASP  71           HB2      ASP  71 -14.889 -23.371 -11.562
  575    HB3  ASP  71           HB3      ASP  71 -16.611 -23.066 -11.397
  576    H    ASP  72           H        ASP  72 -16.061 -22.349 -15.318
  577    HA   ASP  72           HA       ASP  72 -13.522 -23.211 -16.219
  578    HB2  ASP  72           HB2      ASP  72 -15.610 -23.704 -17.394
  579    HB3  ASP  72           HB3      ASP  72 -15.864 -21.988 -17.729
  580    H    GLU  73           H        GLU  73 -14.863 -19.922 -15.913
  581    HA   GLU  73           HA       GLU  73 -12.664 -18.740 -17.493
  582    HB2  GLU  73           HB2      GLU  73 -14.937 -17.476 -15.893
  583    HB3  GLU  73           HB3      GLU  73 -13.709 -16.589 -16.804
  584    HG2  GLU  73           HG2      GLU  73 -14.418 -17.880 -18.874
  585    HG3  GLU  73           HG3      GLU  73 -15.769 -18.525 -17.941
  586    H    CYS  74           H        CYS  74 -13.227 -19.798 -14.251
  587    HA   CYS  74           HA       CYS  74 -11.433 -17.765 -13.098
  588    HB2  CYS  74           HB2      CYS  74 -13.284 -19.757 -11.751
  589    HB3  CYS  74           HB3      CYS  74 -12.339 -18.483 -10.954
  590    HG   CYS  74           HG       CYS  74 -14.788 -18.242 -13.171
  591    H    LEU  75           H        LEU  75 -10.519 -20.209 -14.677
  592    HA   LEU  75           HA       LEU  75  -9.248 -21.979 -12.749
  593    HB2  LEU  75           HB2      LEU  75  -9.038 -21.672 -15.772
  594    HB3  LEU  75           HB3      LEU  75  -8.139 -22.890 -14.878
  595    HG   LEU  75           HG       LEU  75 -11.171 -22.722 -14.822
  596   HD11  LEU  75          HD11      LEU  75 -10.389 -23.176 -17.111
  597   HD12  LEU  75          HD12      LEU  75  -9.374 -24.506 -16.517
  598   HD13  LEU  75          HD13      LEU  75 -11.147 -24.608 -16.402
  599   HD21  LEU  75          HD21      LEU  75  -9.329 -25.047 -14.101
  600   HD22  LEU  75          HD22      LEU  75 -10.050 -23.967 -12.905
  601   HD23  LEU  75          HD23      LEU  75 -11.097 -24.963 -13.909
  602    H    LYS  76           H        LYS  76  -8.481 -18.856 -13.515
  603    HA   LYS  76           HA       LYS  76  -5.682 -19.248 -12.670
  604    HB2  LYS  76           HB2      LYS  76  -4.798 -17.825 -14.438
  605    HB3  LYS  76           HB3      LYS  76  -5.519 -19.295 -15.093
  606    HG2  LYS  76           HG2      LYS  76  -7.567 -18.010 -15.719
  607    HG3  LYS  76           HG3      LYS  76  -6.830 -16.530 -15.097
  608    HD2  LYS  76           HD2      LYS  76  -5.716 -18.220 -17.376
  609    HD3  LYS  76           HD3      LYS  76  -6.700 -16.760 -17.566
  610    HE2  LYS  76           HE2      LYS  76  -4.978 -15.444 -16.327
  611    HE3  LYS  76           HE3      LYS  76  -3.972 -16.893 -16.203
  612    HZ1  LYS  76           HZ1      LYS  76  -3.299 -15.510 -18.059
  613    HZ2  LYS  76           HZ2      LYS  76  -3.849 -16.932 -18.630
  614    HZ3  LYS  76           HZ3      LYS  76  -4.774 -15.589 -18.741
  615    H    ASP  77           H        ASP  77  -8.536 -17.176 -12.905
  616    HA   ASP  77           HA       ASP  77  -7.392 -15.273 -10.959
  617    HB2  ASP  77           HB2      ASP  77  -6.668 -14.384 -13.141
  618    HB3  ASP  77           HB3      ASP  77  -8.295 -14.570 -13.790
  619    H    MET  78           H        MET  78  -9.150 -14.533  -9.631
  620    HA   MET  78           HA       MET  78 -11.670 -15.902 -10.026
  621    HB2  MET  78           HB2      MET  78 -10.798 -13.727  -8.080
  622    HB3  MET  78           HB3      MET  78 -12.365 -14.524  -8.026
  623    HG2  MET  78           HG2      MET  78  -9.662 -15.882  -7.682
  624    HG3  MET  78           HG3      MET  78 -10.807 -15.488  -6.414
  625    HE1  MET  78           HE1      MET  78 -10.642 -19.276  -8.893
  626    HE2  MET  78           HE2      MET  78 -10.161 -17.731  -9.617
  627    HE3  MET  78           HE3      MET  78  -9.339 -18.324  -8.154
  628    H    TYR  79           H        TYR  79 -13.452 -15.242 -11.116
  629    HA   TYR  79           HA       TYR  79 -13.715 -12.376 -11.916
  630    HB2  TYR  79           HB2      TYR  79 -14.322 -14.929 -13.447
  631    HB3  TYR  79           HB3      TYR  79 -15.036 -13.389 -13.861
  632    HD1  TYR  79           HD1      TYR  79 -13.716 -11.557 -14.826
  633    HD2  TYR  79           HD2      TYR  79 -12.000 -15.428 -14.017
  634    HE1  TYR  79           HE1      TYR  79 -11.864 -11.052 -16.382
  635    HE2  TYR  79           HE2      TYR  79 -10.132 -14.933 -15.548
  636    HH   TYR  79           HH       TYR  79  -9.187 -13.372 -17.015
  637    H    VAL  80           H        VAL  80 -15.848 -11.564 -11.935
  638    HA   VAL  80           HA       VAL  80 -17.958 -13.220 -10.628
  639    HB   VAL  80           HB       VAL  80 -18.534 -11.092  -9.385
  640   HG11  VAL  80          HG11      VAL  80 -16.964 -11.524  -7.540
  641   HG12  VAL  80          HG12      VAL  80 -17.610 -13.008  -8.226
  642   HG13  VAL  80          HG13      VAL  80 -15.954 -12.511  -8.623
  643   HG21  VAL  80          HG21      VAL  80 -16.784  -9.466  -8.888
  644   HG22  VAL  80          HG22      VAL  80 -15.632 -10.305  -9.940
  645   HG23  VAL  80          HG23      VAL  80 -17.056  -9.503 -10.634
  646    H    GLU  81           H        GLU  81 -20.069 -12.674 -11.181
  647    HA   GLU  81           HA       GLU  81 -20.409 -11.215 -13.748
  648    HB2  GLU  81           HB2      GLU  81 -22.364 -12.686 -11.923
  649    HB3  GLU  81           HB3      GLU  81 -22.814 -11.826 -13.407
  650    HG2  GLU  81           HG2      GLU  81 -21.214 -13.312 -14.675
  651    HG3  GLU  81           HG3      GLU  81 -20.974 -14.240 -13.194
  652    H    VAL  82           H        VAL  82 -21.373  -9.187 -13.862
  653    HA   VAL  82           HA       VAL  82 -22.080  -7.836 -11.328
  654    HB   VAL  82           HB       VAL  82 -20.698  -5.878 -12.139
  655   HG11  VAL  82          HG11      VAL  82 -19.139  -8.356 -11.316
  656   HG12  VAL  82          HG12      VAL  82 -18.618  -6.668 -11.152
  657   HG13  VAL  82          HG13      VAL  82 -20.009  -7.246 -10.234
  658   HG21  VAL  82          HG21      VAL  82 -19.180  -7.917 -13.808
  659   HG22  VAL  82          HG22      VAL  82 -20.259  -6.672 -14.474
  660   HG23  VAL  82          HG23      VAL  82 -18.819  -6.189 -13.590
  661    H    ALA  83           H        ALA  83 -23.586  -6.268 -11.535
  662    HA   ALA  83           HA       ALA  83 -24.636  -5.708 -14.287
  663    HB1  ALA  83           HB1      ALA  83 -26.094  -5.612 -11.624
  664    HB2  ALA  83           HB2      ALA  83 -26.767  -5.166 -13.212
  665    HB3  ALA  83           HB3      ALA  83 -26.288  -6.845 -12.897
  666    H    ASP  84           H        ASP  84 -24.687  -3.601 -14.938
  667    HA   ASP  84           HA       ASP  84 -22.827  -1.860 -13.528
  668    HB2  ASP  84           HB2      ASP  84 -22.661  -2.271 -15.935
  669    HB3  ASP  84           HB3      ASP  84 -24.269  -1.570 -16.179
  670    H    ILE  85           H        ILE  85 -24.567  -1.791 -11.725
  671    HA   ILE  85           HA       ILE  85 -26.817  -0.086 -11.992
  672    HB   ILE  85           HB       ILE  85 -26.771   0.119  -9.566
  673   HG12  ILE  85          HG12      ILE  85 -24.166  -1.417  -9.589
  674   HG13  ILE  85          HG13      ILE  85 -24.288   0.310  -9.268
  675   HG21  ILE  85          HG21      ILE  85 -27.659  -1.909 -10.771
  676   HG22  ILE  85          HG22      ILE  85 -26.129  -2.739 -10.420
  677   HG23  ILE  85          HG23      ILE  85 -27.195  -2.211  -9.100
  678   HD11  ILE  85          HD11      ILE  85 -25.563  -1.869  -7.560
  679   HD12  ILE  85          HD12      ILE  85 -24.103  -0.962  -7.178
  680   HD13  ILE  85          HD13      ILE  85 -25.663  -0.118  -7.274
  681    H    GLY  86           H        GLY  86 -23.461   0.789 -12.009
  682    HA2  GLY  86           HA2      GLY  86 -23.900   3.599 -11.309
  683    HA3  GLY  86           HA3      GLY  86 -22.399   2.813 -11.821
  684    H    GLY  87           H        GLY  87 -24.529   1.761 -14.120
  685    HA2  GLY  87           HA2      GLY  87 -24.461   4.172 -15.854
  686    HA3  GLY  87           HA3      GLY  87 -23.513   2.751 -16.310
  687    H    LYS  88           H        LYS  88 -24.569   0.914 -17.128
  688    HA   LYS  88           HA       LYS  88 -26.949   1.489 -18.552
  689    HB2  LYS  88           HB2      LYS  88 -25.813  -1.273 -17.928
  690    HB3  LYS  88           HB3      LYS  88 -26.960  -0.889 -19.201
  691    HG2  LYS  88           HG2      LYS  88 -24.064   0.032 -19.050
  692    HG3  LYS  88           HG3      LYS  88 -24.751  -1.185 -20.122
  693    HD2  LYS  88           HD2      LYS  88 -26.174   0.575 -21.190
  694    HD3  LYS  88           HD3      LYS  88 -25.381   1.798 -20.169
  695    HE2  LYS  88           HE2      LYS  88 -23.177   1.160 -21.116
  696    HE3  LYS  88           HE3      LYS  88 -23.964  -0.042 -22.146
  697    HZ1  LYS  88           HZ1      LYS  88 -23.552   2.007 -23.342
  698    HZ2  LYS  88           HZ2      LYS  88 -25.159   1.768 -23.236
  699    HZ3  LYS  88           HZ3      LYS  88 -24.429   2.882 -22.285
  700    H    ASP  89           H        ASP  89 -26.572  -0.067 -15.446
  701    HA   ASP  89           HA       ASP  89 -27.847  -0.829 -13.849
  702    HB2  ASP  89           HB2      ASP  89 -28.677   1.457 -13.872
  703    HB3  ASP  89           HB3      ASP  89 -29.936   1.016 -15.029
  704    H    ASP  90           H        ASP  90 -29.294  -1.300 -16.979
  705    HA   ASP  90           HA       ASP  90 -31.018  -3.504 -15.988
  706    HB2  ASP  90           HB2      ASP  90 -31.987  -1.479 -17.107
  707    HB3  ASP  90           HB3      ASP  90 -31.047  -1.883 -18.548
  708    H    ASP  91           H        ASP  91 -27.985  -3.415 -16.954
  709    HA   ASP  91           HA       ASP  91 -28.176  -5.903 -18.538
  710    HB2  ASP  91           HB2      ASP  91 -27.795  -3.872 -20.070
  711    HB3  ASP  91           HB3      ASP  91 -26.196  -3.761 -19.313
  712    H    VAL  92           H        VAL  92 -26.111  -7.027 -18.639
  713    HA   VAL  92           HA       VAL  92 -24.563  -6.811 -16.120
  714    HB   VAL  92           HB       VAL  92 -26.473  -8.230 -15.752
  715   HG11  VAL  92          HG11      VAL  92 -27.101  -8.869 -18.031
  716   HG12  VAL  92          HG12      VAL  92 -25.647  -9.885 -18.170
  717   HG13  VAL  92          HG13      VAL  92 -26.929 -10.294 -17.013
  718   HG21  VAL  92          HG21      VAL  92 -24.454  -9.014 -14.662
  719   HG22  VAL  92          HG22      VAL  92 -25.467 -10.375 -15.140
  720   HG23  VAL  92          HG23      VAL  92 -24.018  -9.994 -16.082
  721    H    TYR  93           H        TYR  93 -22.556  -7.705 -16.125
  722    HA   TYR  93           HA       TYR  93 -21.285  -8.670 -18.626
  723    HB2  TYR  93           HB2      TYR  93 -20.311  -6.377 -16.855
  724    HB3  TYR  93           HB3      TYR  93 -19.447  -7.045 -18.226
  725    HD1  TYR  93           HD2      TYR  93 -20.141  -6.597 -20.541
  726    HD2  TYR  93           HD1      TYR  93 -22.221  -4.855 -17.182
  727    HE1  TYR  93           HE2      TYR  93 -21.209  -4.956 -22.058
  728    HE2  TYR  93           HE1      TYR  93 -23.315  -3.234 -18.686
  729    HH   TYR  93           HH       TYR  93 -23.520  -2.475 -20.896
  730    H    THR  94           H        THR  94 -18.727  -8.881 -17.699
  731    HA   THR  94           HA       THR  94 -18.807 -10.233 -15.060
  732    HB   THR  94           HB       THR  94 -17.261 -11.153 -17.519
  733    HG1  THR  94           HG1      THR  94 -19.458 -11.628 -17.666
  734   HG21  THR  94          HG21      THR  94 -16.751 -13.171 -16.162
  735   HG22  THR  94          HG22      THR  94 -16.049 -11.713 -15.456
  736   HG23  THR  94          HG23      THR  94 -17.522 -12.411 -14.752
  737    H    ALA  95           H        ALA  95 -16.947  -9.849 -13.835
  738    HA   ALA  95           HA       ALA  95 -14.949  -7.911 -14.886
  739    HB1  ALA  95           HB1      ALA  95 -15.071  -6.641 -12.769
  740    HB2  ALA  95           HB2      ALA  95 -16.628  -6.610 -13.608
  741    HB3  ALA  95           HB3      ALA  95 -16.404  -7.686 -12.215
  742    H    LYS  96           H        LYS  96 -12.980  -7.920 -13.719
  743    HA   LYS  96           HA       LYS  96 -12.172 -10.530 -12.634
  744    HB2  LYS  96           HB2      LYS  96 -10.741  -7.843 -12.680
  745    HB3  LYS  96           HB3      LYS  96 -10.000  -9.392 -12.337
  746    HG2  LYS  96           HG2      LYS  96  -9.997 -10.073 -14.566
  747    HG3  LYS  96           HG3      LYS  96 -11.328  -9.028 -15.043
  748    HD2  LYS  96           HD2      LYS  96  -8.580  -7.990 -14.275
  749    HD3  LYS  96           HD3      LYS  96  -9.097  -8.322 -15.938
  750    HE2  LYS  96           HE2      LYS  96 -10.903  -6.660 -15.789
  751    HE3  LYS  96           HE3      LYS  96 -10.575  -6.404 -14.082
  752    HZ1  LYS  96           HZ1      LYS  96  -8.962  -5.500 -16.353
  753    HZ2  LYS  96           HZ2      LYS  96  -9.506  -4.663 -15.032
  754    HZ3  LYS  96           HZ3      LYS  96  -8.258  -5.695 -14.889
  755    H    LEU  97           H        LEU  97 -12.466 -10.984 -10.425
  756    HA   LEU  97           HA       LEU  97 -13.599  -9.032  -8.616
  757    HB2  LEU  97           HB2      LEU  97 -13.811 -11.497  -8.313
  758    HB3  LEU  97           HB3      LEU  97 -12.066 -11.609  -8.059
  759    HG   LEU  97           HG       LEU  97 -12.242 -10.241  -6.007
  760   HD11  LEU  97          HD11      LEU  97 -14.550  -9.786  -5.062
  761   HD12  LEU  97          HD12      LEU  97 -14.156  -8.802  -6.465
  762   HD13  LEU  97          HD13      LEU  97 -15.233 -10.206  -6.640
  763   HD21  LEU  97          HD21      LEU  97 -14.221 -12.549  -6.066
  764   HD22  LEU  97          HD22      LEU  97 -12.451 -12.706  -5.944
  765   HD23  LEU  97          HD23      LEU  97 -13.351 -11.931  -4.644
  766    H    SER  98           H        SER  98 -10.361 -10.152  -9.443
  767    HA   SER  98           HA       SER  98  -8.658  -8.828  -7.792
  768    HB2  SER  98           HB2      SER  98  -8.300  -9.190 -10.784
  769    HB3  SER  98           HB3      SER  98  -7.080  -9.342  -9.510
  770    HG   SER  98           HG       SER  98  -7.988 -11.387 -10.371
  771    H    ASP  99           H        ASP  99 -10.857  -7.230  -9.964
  772    HA   ASP  99           HA       ASP  99  -9.263  -4.731  -9.816
  773    HB2  ASP  99           HB2      ASP  99  -9.408  -5.991 -12.058
  774    HB3  ASP  99           HB3      ASP  99 -11.114  -5.537 -12.079
  775    H    ILE 100           H        ILE 100 -11.579  -6.008  -8.239
  776    HA   ILE 100           HA       ILE 100 -13.395  -3.645  -8.263
  777    HB   ILE 100           HB       ILE 100 -13.908  -6.565  -8.294
  778   HG12  ILE 100          HG12      ILE 100 -15.623  -4.145  -8.976
  779   HG13  ILE 100          HG13      ILE 100 -14.468  -4.906 -10.090
  780   HG21  ILE 100          HG21      ILE 100 -14.668  -6.152  -5.972
  781   HG22  ILE 100          HG22      ILE 100 -15.772  -4.890  -6.577
  782   HG23  ILE 100          HG23      ILE 100 -15.977  -6.588  -7.049
  783   HD11  ILE 100          HD11      ILE 100 -15.810  -7.035  -9.891
  784   HD12  ILE 100          HD12      ILE 100 -17.037  -6.097  -8.994
  785   HD13  ILE 100          HD13      ILE 100 -16.640  -5.662 -10.661
  786    H    GLU 101           H        GLU 101 -14.208  -2.979  -6.353
  787    HA   GLU 101           HA       GLU 101 -12.763  -3.721  -3.847
  788    HB2  GLU 101           HB2      GLU 101 -12.071  -1.518  -4.655
  789    HB3  GLU 101           HB3      GLU 101 -13.760  -1.015  -4.846
  790    HG2  GLU 101           HG2      GLU 101 -14.127  -1.065  -2.454
  791    HG3  GLU 101           HG3      GLU 101 -12.576  -1.861  -2.179
  792    H    ALA 102           H        ALA 102 -14.181  -4.669  -2.452
  793    HA   ALA 102           HA       ALA 102 -17.025  -4.775  -3.129
  794    HB1  ALA 102           HB1      ALA 102 -15.745  -6.729  -2.273
  795    HB2  ALA 102           HB2      ALA 102 -15.532  -5.902  -0.714
  796    HB3  ALA 102           HB3      ALA 102 -17.161  -6.343  -1.273
  797    H    ILE 103           H        ILE 103 -18.660  -3.748  -2.101
  798    HA   ILE 103           HA       ILE 103 -18.054  -1.905   0.176
  799    HB   ILE 103           HB       ILE 103 -19.528  -1.433  -2.426
  800   HG12  ILE 103          HG12      ILE 103 -17.235   0.114  -1.131
  801   HG13  ILE 103          HG13      ILE 103 -17.021  -1.118  -2.374
  802   HG21  ILE 103          HG21      ILE 103 -20.924  -0.447  -0.647
  803   HG22  ILE 103          HG22      ILE 103 -19.512   0.424  -0.003
  804   HG23  ILE 103          HG23      ILE 103 -20.185   0.811  -1.601
  805   HD11  ILE 103          HD11      ILE 103 -16.915   0.990  -3.432
  806   HD12  ILE 103          HD12      ILE 103 -18.425   0.187  -3.935
  807   HD13  ILE 103          HD13      ILE 103 -18.455   1.517  -2.745
  808    H    ASP 104           H        ASP 104 -19.583  -1.776   1.740
  809    HA   ASP 104           HA       ASP 104 -21.325  -2.291   3.033
  810    HB2  ASP 104           HB2      ASP 104 -22.316  -0.715   1.421
  811    HB3  ASP 104           HB3      ASP 104 -22.894  -2.070   0.448
  812    H    VAL 105           H        VAL 105 -19.875  -4.573   2.269
  813    HA   VAL 105           HA       VAL 105 -22.007  -6.657   2.298
  814    HB   VAL 105           HB       VAL 105 -20.402  -6.487   0.322
  815   HG11  VAL 105          HG11      VAL 105 -18.416  -7.762   2.216
  816   HG12  VAL 105          HG12      VAL 105 -18.246  -7.575   0.464
  817   HG13  VAL 105          HG13      VAL 105 -18.277  -6.143   1.501
  818   HG21  VAL 105          HG21      VAL 105 -20.409  -8.812  -0.035
  819   HG22  VAL 105          HG22      VAL 105 -20.587  -9.164   1.696
  820   HG23  VAL 105          HG23      VAL 105 -21.898  -8.377   0.808
  821    H    ASP 106           H        ASP 106 -21.249  -8.737   3.439
  822    HA   ASP 106           HA       ASP 106 -20.831  -8.145   6.207
  823    HB2  ASP 106           HB2      ASP 106 -22.101 -10.104   5.408
  824    HB3  ASP 106           HB3      ASP 106 -20.619 -10.765   4.690
  825    H    ASP 107           H        ASP 107 -19.111  -8.786   7.519
  826    HA   ASP 107           HA       ASP 107 -16.561  -7.906   6.698
  827    HB2  ASP 107           HB2      ASP 107 -17.302  -7.901   9.028
  828    HB3  ASP 107           HB3      ASP 107 -17.374  -9.665   9.041
  829    H    ASP 108           H        ASP 108 -17.832 -11.305   6.870
  830    HA   ASP 108           HA       ASP 108 -15.171 -12.359   6.403
  831    HB2  ASP 108           HB2      ASP 108 -17.142 -13.524   7.583
  832    HB3  ASP 108           HB3      ASP 108 -17.773 -13.851   5.960
  833    H    THR 109           H        THR 109 -17.764 -11.207   4.378
  834    HA   THR 109           HA       THR 109 -16.878 -12.515   1.893
  835    HB   THR 109           HB       THR 109 -18.814 -10.200   2.436
  836    HG1  THR 109           HG1      THR 109 -19.302 -12.383   3.247
  837   HG21  THR 109          HG21      THR 109 -18.216 -10.035   0.129
  838   HG22  THR 109          HG22      THR 109 -18.215 -11.791  -0.050
  839   HG23  THR 109          HG23      THR 109 -19.748 -10.949   0.188
  840    H    GLN 110           H        GLN 110 -16.715  -9.227   3.412
  841    HA   GLN 110           HA       GLN 110 -15.130  -8.060   1.404
  842    HB2  GLN 110           HB2      GLN 110 -16.400  -7.078   3.520
  843    HB3  GLN 110           HB3      GLN 110 -14.850  -7.284   4.327
  844    HG2  GLN 110           HG2      GLN 110 -15.421  -5.647   1.812
  845    HG3  GLN 110           HG3      GLN 110 -15.182  -5.002   3.427
  846   HE21  GLN 110          HE22      GLN 110 -13.598  -5.758   0.497
  847   HE22  GLN 110          HE21      GLN 110 -11.953  -5.699   1.075
  848    H    GLU 111           H        GLU 111 -14.133  -9.762   4.442
  849    HA   GLU 111           HA       GLU 111 -11.353  -9.430   4.057
  850    HB2  GLU 111           HB2      GLU 111 -13.011 -11.464   5.588
  851    HB3  GLU 111           HB3      GLU 111 -11.252 -11.502   5.603
  852    HG2  GLU 111           HG2      GLU 111 -12.842  -9.026   6.420
  853    HG3  GLU 111           HG3      GLU 111 -12.350 -10.289   7.543
  854    H    ALA 112           H        ALA 112 -13.544 -12.041   2.827
  855    HA   ALA 112           HA       ALA 112 -11.433 -13.712   1.869
  856    HB1  ALA 112           HB1      ALA 112 -13.764 -14.480   2.075
  857    HB2  ALA 112           HB2      ALA 112 -14.263 -13.372   0.774
  858    HB3  ALA 112           HB3      ALA 112 -13.155 -14.717   0.429
  859    H    ILE 113           H        ILE 113 -13.235 -11.017   0.338
  860    HA   ILE 113           HA       ILE 113 -11.943 -11.218  -2.219
  861    HB   ILE 113           HB       ILE 113 -13.425  -8.950  -0.823
  862   HG12  ILE 113          HG12      ILE 113 -14.411 -10.846  -3.006
  863   HG13  ILE 113          HG13      ILE 113 -14.671 -11.156  -1.308
  864   HG21  ILE 113          HG21      ILE 113 -12.570  -9.195  -3.741
  865   HG22  ILE 113          HG22      ILE 113 -13.705  -7.976  -3.125
  866   HG23  ILE 113          HG23      ILE 113 -12.035  -7.971  -2.578
  867   HD11  ILE 113          HD11      ILE 113 -15.836  -8.922  -1.121
  868   HD12  ILE 113          HD12      ILE 113 -15.785  -8.851  -2.906
  869   HD13  ILE 113          HD13      ILE 113 -16.652 -10.159  -2.089
  870    H    ALA 114           H        ALA 114 -11.333  -9.168   0.694
  871    HA   ALA 114           HA       ALA 114  -9.139  -7.720  -0.343
  872    HB1  ALA 114           HB1      ALA 114  -9.658  -8.605   2.530
  873    HB2  ALA 114           HB2      ALA 114  -8.579  -7.298   2.008
  874    HB3  ALA 114           HB3      ALA 114 -10.328  -7.149   1.760
  875    H    ASP 115           H        ASP 115  -9.266 -10.909   1.316
  876    HA   ASP 115           HA       ASP 115  -6.428 -11.213   1.458
  877    HB2  ASP 115           HB2      ASP 115  -8.020 -12.432   2.896
  878    HB3  ASP 115           HB3      ASP 115  -8.580 -13.354   1.491
  879    H    TRP 116           H        TRP 116  -8.809 -12.176  -1.061
  880    HA   TRP 116           HA       TRP 116  -6.952 -13.600  -2.729
  881    HB2  TRP 116           HB2      TRP 116  -9.275 -13.821  -3.208
  882    HB3  TRP 116           HB3      TRP 116  -9.525 -12.085  -3.254
  883    HD1  TRP 116           HD1      TRP 116  -9.466 -10.944  -5.514
  884    HE1  TRP 116           HE1      TRP 116  -8.732 -11.537  -7.905
  885    HE3  TRP 116           HE3      TRP 116  -7.417 -15.556  -4.645
  886    HZ2  TRP 116           HZ2      TRP 116  -7.371 -13.678  -9.233
  887    HZ3  TRP 116           HZ3      TRP 116  -6.400 -16.850  -6.488
  888    HH2  TRP 116           HH2      TRP 116  -6.364 -15.925  -8.795
  889    H    LEU 117           H        LEU 117  -7.876 -10.120  -2.557
  890    HA   LEU 117           HA       LEU 117  -6.192  -9.273  -4.693
  891    HB2  LEU 117           HB2      LEU 117  -7.260  -7.814  -2.242
  892    HB3  LEU 117           HB3      LEU 117  -6.362  -7.006  -3.513
  893    HG   LEU 117           HG       LEU 117  -8.880  -8.602  -4.141
  894   HD11  LEU 117          HD11      LEU 117  -8.699  -5.657  -3.379
  895   HD12  LEU 117          HD12      LEU 117 -10.133  -6.477  -4.041
  896   HD13  LEU 117          HD13      LEU 117  -9.506  -6.946  -2.457
  897   HD21  LEU 117          HD21      LEU 117  -7.424  -7.993  -6.053
  898   HD22  LEU 117          HD22      LEU 117  -8.971  -7.127  -6.101
  899   HD23  LEU 117          HD23      LEU 117  -7.500  -6.288  -5.570
  900    H    TYR 118           H        TYR 118  -5.584  -9.458  -1.135
  901    HA   TYR 118           HA       TYR 118  -2.931  -8.457  -1.208
  902    HB2  TYR 118           HB2      TYR 118  -4.193 -10.473   0.691
  903    HB3  TYR 118           HB3      TYR 118  -2.696  -9.619   0.984
  904    HD1  TYR 118           HD2      TYR 118  -3.906  -6.824  -0.150
  905    HD2  TYR 118           HD1      TYR 118  -5.087  -9.738   2.817
  906    HE1  TYR 118           HE2      TYR 118  -5.139  -5.079   1.063
  907    HE2  TYR 118           HE1      TYR 118  -6.331  -7.985   4.039
  908    HH   TYR 118           HH       TYR 118  -6.473  -4.573   2.907
  909    H    TRP 119           H        TRP 119  -4.128 -11.866  -1.453
  910    HA   TRP 119           HA       TRP 119  -1.591 -13.099  -1.572
  911    HB2  TRP 119           HB2      TRP 119  -3.441 -14.525  -1.283
  912    HB3  TRP 119           HB3      TRP 119  -4.343 -13.799  -2.610
  913    HD1  TRP 119           HD1      TRP 119  -4.280 -14.933  -4.854
  914    HE1  TRP 119           HE1      TRP 119  -2.880 -16.728  -6.025
  915    HE3  TRP 119           HE3      TRP 119  -0.777 -15.714  -1.195
  916    HZ2  TRP 119           HZ2      TRP 119  -0.532 -18.319  -5.434
  917    HZ3  TRP 119           HZ3      TRP 119   1.050 -17.355  -1.545
  918    HH2  TRP 119           HH2      TRP 119   1.184 -18.656  -3.661
  919    H    LEU 120           H        LEU 120  -3.637 -11.774  -4.243
  920    HA   LEU 120           HA       LEU 120  -1.911 -12.567  -6.363
  921    HB2  LEU 120           HB2      LEU 120  -3.836 -10.214  -6.023
  922    HB3  LEU 120           HB3      LEU 120  -2.904 -10.439  -7.491
  923    HG   LEU 120           HG       LEU 120  -4.973 -12.411  -6.436
  924   HD11  LEU 120          HD11      LEU 120  -4.944 -10.333  -8.678
  925   HD12  LEU 120          HD12      LEU 120  -6.209 -11.554  -8.453
  926   HD13  LEU 120          HD13      LEU 120  -5.952 -10.313  -7.213
  927   HD21  LEU 120          HD21      LEU 120  -3.265 -13.596  -7.705
  928   HD22  LEU 120          HD22      LEU 120  -4.700 -13.427  -8.713
  929   HD23  LEU 120          HD23      LEU 120  -3.308 -12.363  -8.994
  930    H    ALA 121           H        ALA 121  -2.115  -9.574  -4.408
  931    HA   ALA 121           HA       ALA 121  -0.202  -8.131  -5.860
  932    HB1  ALA 121           HB1      ALA 121  -0.266  -6.607  -3.898
  933    HB2  ALA 121           HB2      ALA 121  -1.898  -7.148  -4.350
  934    HB3  ALA 121           HB3      ALA 121  -1.085  -7.870  -2.946
  935    H    ARG 122           H        ARG 122   0.171 -10.426  -3.145
  936    HA   ARG 122           HA       ARG 122   2.875  -9.788  -2.534
  937    HB2  ARG 122           HB2      ARG 122   1.075 -11.272  -1.305
  938    HB3  ARG 122           HB3      ARG 122   1.950 -12.580  -2.125
  939    HG2  ARG 122           HG2      ARG 122   4.116 -11.651  -1.202
  940    HG3  ARG 122           HG3      ARG 122   3.200 -10.338  -0.437
  941    HD2  ARG 122           HD2      ARG 122   1.812 -12.212   0.615
  942    HD3  ARG 122           HD3      ARG 122   3.151 -13.286   0.186
  943    HE   ARG 122           HE       ARG 122   2.996 -11.338   2.341
  944   HH11  ARG 122          HH11      ARG 122   5.406 -12.943   0.264
  945   HH12  ARG 122          HH12      ARG 122   6.725 -12.554   1.302
  946   HH21  ARG 122          HH21      ARG 122   4.676 -10.778   3.625
  947   HH22  ARG 122          HH22      ARG 122   6.302 -11.304   3.308
  948    H    GLY 123           H        GLY 123   1.604 -11.340  -5.371
  949    HA2  GLY 123           HA2      GLY 123   3.415 -11.749  -7.079
  950    HA3  GLY 123           HA3      GLY 123   4.180 -12.794  -5.875
  951    H    TYR 124           H        TYR 124   1.219 -12.322  -7.782
  952    HA   TYR 124           HA       TYR 124  -0.179 -14.666  -7.400
  953    HB2  TYR 124           HB2      TYR 124  -1.074 -13.045  -8.867
  954    HB3  TYR 124           HB3      TYR 124   0.375 -12.988  -9.853
  955    HD1  TYR 124           HD1      TYR 124  -2.472 -15.307  -8.957
  956    HD2  TYR 124           HD2      TYR 124   0.602 -14.279 -11.810
  957    HE1  TYR 124           HE1      TYR 124  -3.371 -16.981 -10.524
  958    HE2  TYR 124           HE2      TYR 124  -0.267 -15.987 -13.367
  959    HH   TYR 124           HH       TYR 124  -1.848 -17.657 -13.715
  960    H    LYS 125           H        LYS 125   0.220 -16.770  -7.617
  961    HA   LYS 125           HA       LYS 125   1.982 -17.745  -9.818
  962    HB2  LYS 125           HB2      LYS 125   1.702 -18.914  -7.010
  963    HB3  LYS 125           HB3      LYS 125   2.569 -19.668  -8.354
  964    HG2  LYS 125           HG2      LYS 125   4.114 -17.716  -8.451
  965    HG3  LYS 125           HG3      LYS 125   3.270 -17.005  -7.060
  966    HD2  LYS 125           HD2      LYS 125   3.863 -18.972  -5.678
  967    HD3  LYS 125           HD3      LYS 125   4.723 -19.684  -7.064
  968    HE2  LYS 125           HE2      LYS 125   6.226 -17.700  -7.137
  969    HE3  LYS 125           HE3      LYS 125   5.375 -17.002  -5.753
  970    HZ1  LYS 125           HZ1      LYS 125   7.398 -18.128  -5.075
  971    HZ2  LYS 125           HZ2      LYS 125   6.118 -18.897  -4.427
  972    HZ3  LYS 125           HZ3      LYS 125   6.903 -19.543  -5.709
  973    H    PHE 126           H        PHE 126  -1.027 -18.017  -7.979
  974    HA   PHE 126           HA       PHE 126  -2.344 -19.537  -9.977
  975    HB2  PHE 126           HB2      PHE 126  -3.076 -21.325  -8.387
  976    HB3  PHE 126           HB3      PHE 126  -1.404 -21.458  -8.894
  977    HD1  PHE 126           HD2      PHE 126  -3.592 -20.477  -6.024
  978    HD2  PHE 126           HD1      PHE 126   0.403 -21.441  -7.326
  979    HE1  PHE 126           HE2      PHE 126  -2.864 -20.702  -3.654
  980    HE2  PHE 126           HE1      PHE 126   1.138 -21.603  -4.964
  981    HZ   PHE 126           HZ       PHE 126  -0.505 -21.248  -3.120
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   3.557  -5.138  -5.019
    2    H2   MET   1           H2       MET   1   3.300  -6.646  -4.410
    3    H3   MET   1           H3       MET   1   2.743  -5.343  -3.604
    4    HA   MET   1           HA       MET   1   5.581  -5.938  -4.057
    5    HB2  MET   1           HB2      MET   1   5.027  -3.499  -3.858
    6    HB3  MET   1           HB3      MET   1   4.307  -3.806  -2.272
    7    HG2  MET   1           HG2      MET   1   6.511  -4.590  -1.436
    8    HG3  MET   1           HG3      MET   1   7.211  -4.321  -3.039
    9    HE1  MET   1           HE1      MET   1   9.169  -2.886  -2.047
   10    HE2  MET   1           HE2      MET   1   8.930  -1.557  -0.892
   11    HE3  MET   1           HE3      MET   1   8.524  -3.223  -0.425
   12    H    ALA   2           H        ALA   2   6.556  -7.268  -2.531
   13    HA   ALA   2           HA       ALA   2   5.013  -9.140  -1.259
   14    HB1  ALA   2           HB1      ALA   2   7.862  -8.316  -0.547
   15    HB2  ALA   2           HB2      ALA   2   7.091  -9.858  -0.124
   16    HB3  ALA   2           HB3      ALA   2   7.381  -9.458  -1.827
   17    H    SER   3           H        SER   3   6.248  -6.146   0.209
   18    HA   SER   3           HA       SER   3   5.837  -6.574   2.887
   19    HB2  SER   3           HB2      SER   3   5.441  -3.990   1.372
   20    HB3  SER   3           HB3      SER   3   5.932  -4.187   3.068
   21    HG   SER   3           HG       SER   3   7.726  -3.843   1.727
   22    H    VAL   4           H        VAL   4   3.262  -6.508   0.599
   23    HA   VAL   4           HA       VAL   4   1.162  -5.551   2.252
   24    HB   VAL   4           HB       VAL   4   1.095  -5.908  -0.183
   25   HG11  VAL   4          HG11      VAL   4   0.842  -8.010  -1.225
   26   HG12  VAL   4          HG12      VAL   4   2.258  -8.186  -0.185
   27   HG13  VAL   4          HG13      VAL   4   0.707  -8.880   0.302
   28   HG21  VAL   4          HG21      VAL   4  -0.993  -5.676   1.115
   29   HG22  VAL   4          HG22      VAL   4  -1.194  -6.650  -0.347
   30   HG23  VAL   4          HG23      VAL   4  -1.104  -7.445   1.239
   31    H    GLU   5           H        GLU   5   3.019  -8.568   2.390
   32    HA   GLU   5           HA       GLU   5   1.467  -9.332   4.820
   33    HB2  GLU   5           HB2      GLU   5   2.235 -11.294   2.649
   34    HB3  GLU   5           HB3      GLU   5   1.475 -11.690   4.170
   35    HG2  GLU   5           HG2      GLU   5  -0.609 -10.688   3.518
   36    HG3  GLU   5           HG3      GLU   5   0.093  -9.960   2.080
   37    H    ARG   6           H        ARG   6   4.207 -10.240   2.685
   38    HA   ARG   6           HA       ARG   6   6.219 -11.150   3.086
   39    HB2  ARG   6           HB2      ARG   6   6.134  -8.572   3.234
   40    HB3  ARG   6           HB3      ARG   6   6.617  -8.766   4.911
   41    HG2  ARG   6           HG2      ARG   6   8.708  -9.827   4.203
   42    HG3  ARG   6           HG3      ARG   6   8.116  -9.978   2.534
   43    HD2  ARG   6           HD2      ARG   6   7.969  -7.503   2.365
   44    HD3  ARG   6           HD3      ARG   6   8.668  -7.354   3.988
   45    HE   ARG   6           HE       ARG   6  10.550  -8.837   2.809
   46   HH11  ARG   6          HH11      ARG   6   8.929  -5.885   1.580
   47   HH12  ARG   6          HH12      ARG   6  10.269  -5.433   0.594
   48   HH21  ARG   6          HH21      ARG   6  12.302  -8.192   1.488
   49   HH22  ARG   6          HH22      ARG   6  12.217  -6.755   0.546
   50    H    ASP   7           H        ASP   7   4.520 -12.628   4.745
   51    HA   ASP   7           HA       ASP   7   6.523 -13.557   6.666
   52    HB2  ASP   7           HB2      ASP   7   5.082 -12.006   8.004
   53    HB3  ASP   7           HB3      ASP   7   3.668 -12.968   7.563
   54    H    GLU   8           H        GLU   8   6.617 -15.726   6.474
   55    HA   GLU   8           HA       GLU   8   5.152 -16.957   4.403
   56    HB2  GLU   8           HB2      GLU   8   6.487 -18.918   4.867
   57    HB3  GLU   8           HB3      GLU   8   7.488 -17.470   4.939
   58    HG2  GLU   8           HG2      GLU   8   7.360 -17.518   7.436
   59    HG3  GLU   8           HG3      GLU   8   6.374 -18.978   7.353
   60    H    THR   9           H        THR   9   4.137 -16.582   7.678
   61    HA   THR   9           HA       THR   9   2.767 -19.005   8.131
   62    HB   THR   9           HB       THR   9   1.906 -16.210   8.916
   63    HG1  THR   9           HG1      THR   9   3.908 -16.360   9.572
   64   HG21  THR   9          HG21      THR   9   1.424 -18.929  10.210
   65   HG22  THR   9          HG22      THR   9   1.033 -17.360  10.956
   66   HG23  THR   9          HG23      THR   9   0.204 -17.859   9.478
   67    H    ARG  10           H        ARG  10   1.919 -16.232   6.050
   68    HA   ARG  10           HA       ARG  10  -0.787 -16.952   5.539
   69    HB2  ARG  10           HB2      ARG  10   1.311 -15.414   3.951
   70    HB3  ARG  10           HB3      ARG  10  -0.314 -15.656   3.325
   71    HG2  ARG  10           HG2      ARG  10   0.214 -14.418   6.067
   72    HG3  ARG  10           HG3      ARG  10   0.161 -13.462   4.590
   73    HD2  ARG  10           HD2      ARG  10  -2.131 -15.249   5.481
   74    HD3  ARG  10           HD3      ARG  10  -2.004 -13.527   5.882
   75    HE   ARG  10           HE       ARG  10  -1.701 -13.397   3.217
   76   HH11  ARG  10          HH11      ARG  10  -4.233 -15.116   5.052
   77   HH12  ARG  10          HH12      ARG  10  -5.420 -14.857   3.803
   78   HH21  ARG  10          HH21      ARG  10  -3.123 -13.170   1.676
   79   HH22  ARG  10          HH22      ARG  10  -4.730 -13.938   1.735
   80    H    GLU  11           H        GLU  11   2.138 -17.693   3.570
   81    HA   GLU  11           HA       GLU  11   0.936 -19.447   1.767
   82    HB2  GLU  11           HB2      GLU  11   3.752 -19.670   2.947
   83    HB3  GLU  11           HB3      GLU  11   3.150 -20.510   1.527
   84    HG2  GLU  11           HG2      GLU  11   4.254 -18.805   0.533
   85    HG3  GLU  11           HG3      GLU  11   2.628 -18.123   0.598
   86    H    HIS  12           H        HIS  12   2.429 -20.208   4.951
   87    HA   HIS  12           HA       HIS  12   2.038 -23.009   4.838
   88    HB2  HIS  12           HB2      HIS  12   3.567 -22.202   6.408
   89    HB3  HIS  12           HB3      HIS  12   2.480 -20.947   6.984
   90    HD1  HIS  12           HD1      HIS  12   2.212 -24.858   7.116
   91    HD2  HIS  12           HD2      HIS  12   1.666 -21.310   9.308
   92    HE1  HIS  12           HE1      HIS  12   1.342 -25.566   9.398
   93    H    ARG  13           H        ARG  13  -0.158 -20.469   6.274
   94    HA   ARG  13           HA       ARG  13  -2.038 -22.518   7.102
   95    HB2  ARG  13           HB2      ARG  13  -2.459 -19.516   6.805
   96    HB3  ARG  13           HB3      ARG  13  -3.623 -20.654   7.475
   97    HG2  ARG  13           HG2      ARG  13  -1.018 -19.732   8.663
   98    HG3  ARG  13           HG3      ARG  13  -2.626 -19.684   9.362
   99    HD2  ARG  13           HD2      ARG  13  -0.869 -22.128   8.943
  100    HD3  ARG  13           HD3      ARG  13  -1.191 -21.325  10.481
  101    HE   ARG  13           HE       ARG  13  -3.692 -22.085   9.537
  102   HH11  ARG  13          HH11      ARG  13  -0.636 -23.763  10.273
  103   HH12  ARG  13          HH12      ARG  13  -1.409 -25.211  10.816
  104   HH21  ARG  13          HH21      ARG  13  -4.712 -24.074  10.149
  105   HH22  ARG  13          HH22      ARG  13  -3.752 -25.395  10.731
  106    H    ILE  14           H        ILE  14  -2.007 -20.321   4.203
  107    HA   ILE  14           HA       ILE  14  -4.498 -21.298   3.371
  108    HB   ILE  14           HB       ILE  14  -3.384 -19.260   2.484
  109   HG12  ILE  14          HG12      ILE  14  -4.506 -21.218   0.430
  110   HG13  ILE  14          HG13      ILE  14  -5.443 -20.287   1.601
  111   HG21  ILE  14          HG21      ILE  14  -1.942 -21.112   0.538
  112   HG22  ILE  14          HG22      ILE  14  -1.916 -19.336   0.559
  113   HG23  ILE  14          HG23      ILE  14  -1.180 -20.233   1.875
  114   HD11  ILE  14          HD11      ILE  14  -5.601 -19.179  -0.487
  115   HD12  ILE  14          HD12      ILE  14  -4.591 -18.170   0.565
  116   HD13  ILE  14          HD13      ILE  14  -3.843 -19.159  -0.715
  117    H    GLU  15           H        GLU  15  -1.230 -22.610   2.758
  118    HA   GLU  15           HA       GLU  15  -1.929 -24.775   1.080
  119    HB2  GLU  15           HB2      GLU  15   0.329 -24.024   1.369
  120    HB3  GLU  15           HB3      GLU  15   0.290 -24.349   3.108
  121    HG2  GLU  15           HG2      GLU  15   0.155 -26.728   2.746
  122    HG3  GLU  15           HG3      GLU  15  -0.001 -26.507   0.995
  123    H    THR  16           H        THR  16  -2.245 -24.424   4.631
  124    HA   THR  16           HA       THR  16  -2.933 -27.320   4.804
  125    HB   THR  16           HB       THR  16  -2.577 -26.958   7.263
  126    HG1  THR  16           HG1      THR  16  -1.292 -24.570   6.448
  127   HG21  THR  16          HG21      THR  16  -0.842 -27.958   5.828
  128   HG22  THR  16          HG22      THR  16  -0.195 -26.346   5.459
  129   HG23  THR  16          HG23      THR  16  -0.134 -26.977   7.120
  130    H    GLU  17           H        GLU  17  -4.659 -24.562   4.268
  131    HA   GLU  17           HA       GLU  17  -6.995 -25.548   5.873
  132    HB2  GLU  17           HB2      GLU  17  -6.138 -22.712   5.201
  133    HB3  GLU  17           HB3      GLU  17  -7.644 -23.118   5.987
  134    HG2  GLU  17           HG2      GLU  17  -4.937 -23.834   7.196
  135    HG3  GLU  17           HG3      GLU  17  -5.731 -22.290   7.442
  136    H    ILE  18           H        ILE  18  -6.032 -23.927   2.789
  137    HA   ILE  18           HA       ILE  18  -8.851 -24.284   1.862
  138    HB   ILE  18           HB       ILE  18  -6.793 -22.131   1.308
  139   HG12  ILE  18          HG12      ILE  18  -9.467 -22.108   2.789
  140   HG13  ILE  18          HG13      ILE  18  -7.874 -21.987   3.530
  141   HG21  ILE  18          HG21      ILE  18  -8.133 -22.538  -0.747
  142   HG22  ILE  18          HG22      ILE  18  -9.620 -22.326   0.195
  143   HG23  ILE  18          HG23      ILE  18  -8.478 -20.978  -0.041
  144   HD11  ILE  18          HD11      ILE  18  -9.201 -19.883   1.807
  145   HD12  ILE  18          HD12      ILE  18  -8.843 -19.820   3.532
  146   HD13  ILE  18          HD13      ILE  18  -7.513 -19.805   2.362
  147    H    ILE  19           H        ILE  19  -5.424 -24.600   0.789
  148    HA   ILE  19           HA       ILE  19  -6.466 -25.854  -1.717
  149    HB   ILE  19           HB       ILE  19  -4.495 -25.031  -2.829
  150   HG12  ILE  19          HG12      ILE  19  -3.683 -24.027  -0.091
  151   HG13  ILE  19          HG13      ILE  19  -2.809 -25.147  -1.125
  152   HG21  ILE  19          HG21      ILE  19  -5.067 -22.691  -2.889
  153   HG22  ILE  19          HG22      ILE  19  -6.550 -23.596  -2.604
  154   HG23  ILE  19          HG23      ILE  19  -5.755 -22.741  -1.261
  155   HD11  ILE  19          HD11      ILE  19  -3.179 -22.163  -1.521
  156   HD12  ILE  19          HD12      ILE  19  -1.698 -23.037  -1.114
  157   HD13  ILE  19          HD13      ILE  19  -2.425 -23.249  -2.727
  158    H    VAL  20           H        VAL  20  -5.969 -27.184   0.915
  159    HA   VAL  20           HA       VAL  20  -3.555 -28.510   1.034
  160    HB   VAL  20           HB       VAL  20  -6.071 -29.925   1.933
  161   HG11  VAL  20          HG11      VAL  20  -3.387 -29.386   3.281
  162   HG12  VAL  20          HG12      VAL  20  -4.698 -30.404   3.920
  163   HG13  VAL  20          HG13      VAL  20  -3.845 -30.887   2.449
  164   HG21  VAL  20          HG21      VAL  20  -6.699 -27.689   2.544
  165   HG22  VAL  20          HG22      VAL  20  -6.100 -28.476   3.999
  166   HG23  VAL  20          HG23      VAL  20  -5.057 -27.329   3.131
  167    H    ASP  21           H        ASP  21  -6.456 -29.464  -0.806
  168    HA   ASP  21           HA       ASP  21  -5.380 -32.062  -1.564
  169    HB2  ASP  21           HB2      ASP  21  -7.790 -31.622  -1.200
  170    HB3  ASP  21           HB3      ASP  21  -7.790 -30.491  -2.554
  171    H    ALA  22           H        ALA  22  -4.822 -28.870  -2.732
  172    HA   ALA  22           HA       ALA  22  -4.865 -29.501  -5.575
  173    HB1  ALA  22           HB1      ALA  22  -4.040 -27.198  -5.852
  174    HB2  ALA  22           HB2      ALA  22  -5.425 -27.224  -4.739
  175    HB3  ALA  22           HB3      ALA  22  -3.763 -27.058  -4.116
  176    H    GLU  23           H        GLU  23  -3.111 -29.692  -6.940
  177    HA   GLU  23           HA       GLU  23  -0.354 -29.649  -5.815
  178    HB2  GLU  23           HB2      GLU  23  -1.532 -31.747  -7.692
  179    HB3  GLU  23           HB3      GLU  23   0.181 -31.590  -7.289
  180    HG2  GLU  23           HG2      GLU  23  -0.368 -31.976  -4.880
  181    HG3  GLU  23           HG3      GLU  23  -2.051 -32.266  -5.332
  182    H    ASP  24           H        ASP  24  -2.563 -28.451  -8.126
  183    HA   ASP  24           HA       ASP  24  -0.424 -27.469  -9.941
  184    HB2  ASP  24           HB2      ASP  24  -1.395 -29.531 -10.890
  185    HB3  ASP  24           HB3      ASP  24  -3.027 -28.905 -10.642
  186    H    LYS  25           H        LYS  25  -1.021 -25.485 -11.004
  187    HA   LYS  25           HA       LYS  25  -2.408 -23.654  -9.497
  188    HB2  LYS  25           HB2      LYS  25  -2.183 -22.093 -11.209
  189    HB3  LYS  25           HB3      LYS  25  -0.750 -23.097 -11.276
  190    HG2  LYS  25           HG2      LYS  25  -3.151 -23.366 -13.145
  191    HG3  LYS  25           HG3      LYS  25  -1.770 -22.341 -13.481
  192    HD2  LYS  25           HD2      LYS  25  -0.286 -24.145 -13.806
  193    HD3  LYS  25           HD3      LYS  25  -1.329 -25.275 -12.953
  194    HE2  LYS  25           HE2      LYS  25  -3.011 -24.435 -14.958
  195    HE3  LYS  25           HE3      LYS  25  -1.458 -24.382 -15.792
  196    HZ1  LYS  25           HZ1      LYS  25  -2.839 -26.553 -15.727
  197    HZ2  LYS  25           HZ2      LYS  25  -1.204 -26.689 -15.447
  198    HZ3  LYS  25           HZ3      LYS  25  -2.286 -26.737 -14.209
  199    H    GLU  26           H        GLU  26  -3.908 -25.851 -11.878
  200    HA   GLU  26           HA       GLU  26  -6.360 -24.293 -12.075
  201    HB2  GLU  26           HB2      GLU  26  -5.669 -27.197 -12.706
  202    HB3  GLU  26           HB3      GLU  26  -7.245 -26.465 -13.022
  203    HG2  GLU  26           HG2      GLU  26  -6.289 -24.866 -14.581
  204    HG3  GLU  26           HG3      GLU  26  -4.657 -25.329 -14.141
  205    H    GLU  27           H        GLU  27  -5.170 -27.017 -10.071
  206    HA   GLU  27           HA       GLU  27  -7.687 -27.438  -8.708
  207    HB2  GLU  27           HB2      GLU  27  -4.857 -28.221  -7.905
  208    HB3  GLU  27           HB3      GLU  27  -6.348 -28.831  -7.187
  209    HG2  GLU  27           HG2      GLU  27  -5.432 -29.221 -10.066
  210    HG3  GLU  27           HG3      GLU  27  -5.374 -30.429  -8.787
  211    H    ARG  28           H        ARG  28  -4.757 -25.479  -8.108
  212    HA   ARG  28           HA       ARG  28  -5.514 -24.443  -5.553
  213    HB2  ARG  28           HB2      ARG  28  -3.285 -24.189  -6.444
  214    HB3  ARG  28           HB3      ARG  28  -3.855 -23.287  -7.834
  215    HG2  ARG  28           HG2      ARG  28  -4.271 -22.236  -5.022
  216    HG3  ARG  28           HG3      ARG  28  -2.729 -22.073  -5.824
  217    HD2  ARG  28           HD2      ARG  28  -5.356 -20.898  -6.815
  218    HD3  ARG  28           HD3      ARG  28  -4.041 -20.020  -6.050
  219    HE   ARG  28           HE       ARG  28  -2.673 -20.952  -8.097
  220   HH11  ARG  28          HH11      ARG  28  -5.946 -19.507  -8.184
  221   HH12  ARG  28          HH12      ARG  28  -5.784 -19.061  -9.862
  222   HH21  ARG  28          HH21      ARG  28  -2.448 -20.144 -10.122
  223   HH22  ARG  28          HH22      ARG  28  -3.787 -19.413 -10.983
  224    H    ALA  29           H        ALA  29  -6.505 -23.510  -8.868
  225    HA   ALA  29           HA       ALA  29  -7.896 -21.128  -7.997
  226    HB1  ALA  29           HB1      ALA  29  -8.462 -22.775 -10.488
  227    HB2  ALA  29           HB2      ALA  29  -8.831 -21.071 -10.203
  228    HB3  ALA  29           HB3      ALA  29  -7.142 -21.589 -10.369
  229    H    MET  30           H        MET  30  -8.837 -24.600  -8.442
  230    HA   MET  30           HA       MET  30 -11.587 -24.227  -7.799
  231    HB2  MET  30           HB2      MET  30  -9.870 -26.667  -7.202
  232    HB3  MET  30           HB3      MET  30 -11.623 -26.598  -7.224
  233    HG2  MET  30           HG2      MET  30  -9.801 -26.223  -9.627
  234    HG3  MET  30           HG3      MET  30 -10.727 -27.648  -9.216
  235    HE1  MET  30           HE1      MET  30 -12.249 -23.908 -11.394
  236    HE2  MET  30           HE2      MET  30 -11.538 -23.640  -9.807
  237    HE3  MET  30           HE3      MET  30 -10.560 -24.387 -11.087
  238    H    GLY  31           H        GLY  31  -8.758 -24.823  -5.618
  239    HA2  GLY  31           HA2      GLY  31 -10.255 -25.047  -3.227
  240    HA3  GLY  31           HA3      GLY  31  -8.569 -24.515  -3.349
  241    H    TRP  32           H        TRP  32  -8.636 -22.125  -4.630
  242    HA   TRP  32           HA       TRP  32  -9.611 -20.244  -2.772
  243    HB2  TRP  32           HB2      TRP  32  -8.681 -20.086  -5.640
  244    HB3  TRP  32           HB3      TRP  32  -9.435 -18.698  -4.885
  245    HD1  TRP  32           HD1      TRP  32  -6.238 -20.764  -4.612
  246    HE1  TRP  32           HE1      TRP  32  -4.454 -19.373  -3.407
  247    HE3  TRP  32           HE3      TRP  32  -9.205 -16.935  -2.984
  248    HZ2  TRP  32           HZ2      TRP  32  -4.337 -16.870  -1.947
  249    HZ3  TRP  32           HZ3      TRP  32  -8.265 -15.161  -1.538
  250    HH2  TRP  32           HH2      TRP  32  -5.832 -15.093  -1.047
  251    H    TYR  33           H        TYR  33 -11.084 -21.325  -5.902
  252    HA   TYR  33           HA       TYR  33 -13.286 -19.564  -5.846
  253    HB2  TYR  33           HB2      TYR  33 -12.750 -20.760  -7.863
  254    HB3  TYR  33           HB3      TYR  33 -12.883 -22.321  -7.063
  255    HD1  TYR  33           HD1      TYR  33 -14.806 -19.503  -8.493
  256    HD2  TYR  33           HD2      TYR  33 -15.048 -23.355  -6.572
  257    HE1  TYR  33           HE1      TYR  33 -17.195 -19.656  -9.113
  258    HE2  TYR  33           HE2      TYR  33 -17.460 -23.454  -7.051
  259    HH   TYR  33           HH       TYR  33 -19.275 -22.414  -8.104
  260    H    TYR  34           H        TYR  34 -12.962 -22.901  -4.533
  261    HA   TYR  34           HA       TYR  34 -15.638 -23.302  -3.874
  262    HB2  TYR  34           HB2      TYR  34 -14.168 -25.151  -3.978
  263    HB3  TYR  34           HB3      TYR  34 -12.999 -24.414  -2.894
  264    HD1  TYR  34           HD1      TYR  34 -16.470 -25.829  -2.961
  265    HD2  TYR  34           HD2      TYR  34 -13.006 -24.826  -0.609
  266    HE1  TYR  34           HE1      TYR  34 -17.480 -26.983  -1.002
  267    HE2  TYR  34           HE2      TYR  34 -13.995 -25.972   1.364
  268    HH   TYR  34           HH       TYR  34 -15.820 -27.169   2.186
  269    H    TYR  35           H        TYR  35 -12.966 -22.188  -1.632
  270    HA   TYR  35           HA       TYR  35 -14.891 -21.879   0.482
  271    HB2  TYR  35           HB2      TYR  35 -13.193 -21.393   1.853
  272    HB3  TYR  35           HB3      TYR  35 -12.238 -22.128   0.583
  273    HD1  TYR  35           HD1      TYR  35 -10.951 -20.635  -1.000
  274    HD2  TYR  35           HD2      TYR  35 -13.060 -19.042   2.402
  275    HE1  TYR  35           HE1      TYR  35  -9.717 -18.509  -1.245
  276    HE2  TYR  35           HE2      TYR  35 -11.851 -16.901   2.165
  277    HH   TYR  35           HH       TYR  35 -10.291 -15.696   0.939
  278    H    LEU  36           H        LEU  36 -13.547 -19.627  -1.965
  279    HA   LEU  36           HA       LEU  36 -14.500 -17.259  -0.750
  280    HB2  LEU  36           HB2      LEU  36 -12.777 -17.277  -2.469
  281    HB3  LEU  36           HB3      LEU  36 -13.913 -17.942  -3.652
  282    HG   LEU  36           HG       LEU  36 -15.223 -15.877  -3.632
  283   HD11  LEU  36          HD11      LEU  36 -14.363 -13.837  -2.488
  284   HD12  LEU  36          HD12      LEU  36 -14.874 -15.066  -1.327
  285   HD13  LEU  36          HD13      LEU  36 -13.141 -14.824  -1.658
  286   HD21  LEU  36          HD21      LEU  36 -13.624 -14.516  -4.802
  287   HD22  LEU  36          HD22      LEU  36 -12.251 -15.285  -3.968
  288   HD23  LEU  36          HD23      LEU  36 -13.233 -16.204  -5.123
  289    H    ASP  37           H        ASP  37 -15.986 -19.290  -3.372
  290    HA   ASP  37           HA       ASP  37 -18.356 -17.729  -3.647
  291    HB2  ASP  37           HB2      ASP  37 -17.675 -19.377  -5.312
  292    HB3  ASP  37           HB3      ASP  37 -17.826 -20.685  -4.132
  293    H    ASP  38           H        ASP  38 -17.547 -20.474  -1.476
  294    HA   ASP  38           HA       ASP  38 -20.127 -20.679  -0.260
  295    HB2  ASP  38           HB2      ASP  38 -18.433 -22.439  -0.117
  296    HB3  ASP  38           HB3      ASP  38 -17.373 -21.380   0.815
  297    H    THR  39           H        THR  39 -17.558 -18.316   0.208
  298    HA   THR  39           HA       THR  39 -18.576 -17.515   2.867
  299    HB   THR  39           HB       THR  39 -16.186 -16.556   1.237
  300    HG1  THR  39           HG1      THR  39 -15.873 -18.608   1.884
  301   HG21  THR  39          HG21      THR  39 -17.121 -15.908   4.058
  302   HG22  THR  39          HG22      THR  39 -15.437 -15.695   3.533
  303   HG23  THR  39          HG23      THR  39 -16.735 -14.783   2.748
  304    H    LEU  40           H        LEU  40 -18.402 -16.292  -0.493
  305    HA   LEU  40           HA       LEU  40 -19.036 -13.584   0.041
  306    HB2  LEU  40           HB2      LEU  40 -19.567 -15.350  -2.379
  307    HB3  LEU  40           HB3      LEU  40 -19.966 -13.637  -2.359
  308    HG   LEU  40           HG       LEU  40 -17.152 -14.727  -2.009
  309   HD11  LEU  40          HD11      LEU  40 -16.783 -13.974  -4.325
  310   HD12  LEU  40          HD12      LEU  40 -18.041 -15.210  -4.254
  311   HD13  LEU  40          HD13      LEU  40 -18.490 -13.503  -4.455
  312   HD21  LEU  40          HD21      LEU  40 -16.478 -12.384  -2.571
  313   HD22  LEU  40          HD22      LEU  40 -18.164 -11.896  -2.303
  314   HD23  LEU  40          HD23      LEU  40 -17.192 -12.606  -0.981
  315    H    GLU  41           H        GLU  41 -20.744 -12.731   0.948
  316    HA   GLU  41           HA       GLU  41 -23.329 -13.985   1.127
  317    HB2  GLU  41           HB2      GLU  41 -22.191 -12.618   2.887
  318    HB3  GLU  41           HB3      GLU  41 -22.295 -11.201   1.837
  319    HG2  GLU  41           HG2      GLU  41 -23.966 -11.071   3.494
  320    HG3  GLU  41           HG3      GLU  41 -24.766 -11.346   1.955
  321    H    PHE  42           H        PHE  42 -22.894 -14.043  -1.454
  322    HA   PHE  42           HA       PHE  42 -23.594 -11.638  -2.881
  323    HB2  PHE  42           HB2      PHE  42 -23.472 -12.953  -4.877
  324    HB3  PHE  42           HB3      PHE  42 -22.127 -13.361  -3.844
  325    HD1  PHE  42           HD2      PHE  42 -25.429 -14.535  -5.139
  326    HD2  PHE  42           HD1      PHE  42 -21.778 -15.657  -3.123
  327    HE1  PHE  42           HE2      PHE  42 -26.022 -16.928  -5.382
  328    HE2  PHE  42           HE1      PHE  42 -22.379 -18.040  -3.368
  329    HZ   PHE  42           HZ       PHE  42 -24.503 -18.689  -4.493
  330    HA   PRO  43           HA       PRO  43 -24.701 -11.162  -5.006
  331    HB2  PRO  43           HB2      PRO  43 -26.648  -9.373  -5.636
  332    HB3  PRO  43           HB3      PRO  43 -26.610 -11.035  -6.297
  333    HG2  PRO  43           HG2      PRO  43 -28.216 -10.010  -3.938
  334    HG3  PRO  43           HG3      PRO  43 -28.783 -11.010  -5.314
  335    HD2  PRO  43           HD2      PRO  43 -28.075 -12.099  -2.903
  336    HD3  PRO  43           HD3      PRO  43 -27.763 -12.949  -4.444
  337    H    PHE  44           H        PHE  44 -23.844  -9.026  -4.897
  338    HA   PHE  44           HA       PHE  44 -24.405  -7.343  -2.546
  339    HB2  PHE  44           HB2      PHE  44 -22.159  -7.272  -1.782
  340    HB3  PHE  44           HB3      PHE  44 -22.732  -8.915  -1.701
  341    HD1  PHE  44           HD1      PHE  44 -21.894 -10.619  -3.451
  342    HD2  PHE  44           HD2      PHE  44 -20.116  -6.741  -2.911
  343    HE1  PHE  44           HE1      PHE  44 -19.794 -11.445  -4.458
  344    HE2  PHE  44           HE2      PHE  44 -18.019  -7.559  -3.930
  345    HZ   PHE  44           HZ       PHE  44 -17.838  -9.924  -4.683
  346    H    MET  45           H        MET  45 -22.322  -5.476  -2.934
  347    HA   MET  45           HA       MET  45 -22.385  -4.889  -5.830
  348    HB2  MET  45           HB2      MET  45 -23.190  -2.738  -5.641
  349    HB3  MET  45           HB3      MET  45 -24.300  -3.698  -4.686
  350    HG2  MET  45           HG2      MET  45 -23.664  -2.732  -2.691
  351    HG3  MET  45           HG3      MET  45 -22.022  -2.403  -3.213
  352    HE1  MET  45           HE1      MET  45 -22.198   0.878  -5.232
  353    HE2  MET  45           HE2      MET  45 -21.188  -0.457  -4.656
  354    HE3  MET  45           HE3      MET  45 -22.318  -0.720  -5.992
  355    H    GLY  46           H        GLY  46 -20.936  -3.083  -6.419
  356    HA2  GLY  46           HA2      GLY  46 -18.706  -2.492  -4.595
  357    HA3  GLY  46           HA3      GLY  46 -18.332  -3.694  -5.842
  358    H    LYS  47           H        LYS  47 -16.811  -1.695  -5.972
  359    HA   LYS  47           HA       LYS  47 -17.806  -0.146  -8.330
  360    HB2  LYS  47           HB2      LYS  47 -17.068   1.220  -6.243
  361    HB3  LYS  47           HB3      LYS  47 -15.444   0.618  -6.555
  362    HG2  LYS  47           HG2      LYS  47 -15.447   2.686  -7.673
  363    HG3  LYS  47           HG3      LYS  47 -15.791   1.548  -8.976
  364    HD2  LYS  47           HD2      LYS  47 -17.338   3.282  -9.315
  365    HD3  LYS  47           HD3      LYS  47 -18.280   2.010  -8.531
  366    HE2  LYS  47           HE2      LYS  47 -18.171   3.152  -6.388
  367    HE3  LYS  47           HE3      LYS  47 -17.032   4.346  -7.027
  368    HZ1  LYS  47           HZ1      LYS  47 -19.800   4.035  -8.059
  369    HZ2  LYS  47           HZ2      LYS  47 -19.361   5.135  -6.922
  370    HZ3  LYS  47           HZ3      LYS  47 -18.746   5.223  -8.427
  371    H    TRP  48           H        TRP  48 -16.962  -0.955 -10.170
  372    HA   TRP  48           HA       TRP  48 -14.553  -2.673 -10.107
  373    HB2  TRP  48           HB2      TRP  48 -16.483  -3.153 -11.647
  374    HB3  TRP  48           HB3      TRP  48 -16.152  -1.648 -12.482
  375    HD1  TRP  48           HD1      TRP  48 -12.800  -2.737 -11.999
  376    HE1  TRP  48           HE1      TRP  48 -11.854  -4.103 -13.864
  377    HE3  TRP  48           HE3      TRP  48 -17.195  -4.000 -14.318
  378    HZ2  TRP  48           HZ2      TRP  48 -12.862  -5.782 -16.018
  379    HZ3  TRP  48           HZ3      TRP  48 -17.136  -5.548 -16.263
  380    HH2  TRP  48           HH2      TRP  48 -14.991  -6.449 -17.099
  381    H    LYS  49           H        LYS  49 -12.802  -1.533  -9.607
  382    HA   LYS  49           HA       LYS  49 -12.330   1.251 -10.387
  383    HB2  LYS  49           HB2      LYS  49 -10.473  -0.836  -9.139
  384    HB3  LYS  49           HB3      LYS  49 -10.233   0.905  -9.137
  385    HG2  LYS  49           HG2      LYS  49 -12.451  -0.605  -7.662
  386    HG3  LYS  49           HG3      LYS  49 -10.951  -0.070  -6.947
  387    HD2  LYS  49           HD2      LYS  49 -13.018   1.831  -8.138
  388    HD3  LYS  49           HD3      LYS  49 -12.922   1.356  -6.434
  389    HE2  LYS  49           HE2      LYS  49 -10.446   2.118  -6.535
  390    HE3  LYS  49           HE3      LYS  49 -10.879   2.933  -8.044
  391    HZ1  LYS  49           HZ1      LYS  49 -12.176   3.438  -5.421
  392    HZ2  LYS  49           HZ2      LYS  49 -11.021   4.372  -6.083
  393    HZ3  LYS  49           HZ3      LYS  49 -12.472   4.268  -6.815
  394    H    LYS  50           H        LYS  50 -12.870   0.254 -12.666
  395    HA   LYS  50           HA       LYS  50 -11.415  -1.740 -13.905
  396    HB2  LYS  50           HB2      LYS  50 -13.558  -0.917 -14.677
  397    HB3  LYS  50           HB3      LYS  50 -12.837   0.626 -15.167
  398    HG2  LYS  50           HG2      LYS  50 -11.485  -0.436 -16.852
  399    HG3  LYS  50           HG3      LYS  50 -11.868  -2.050 -16.248
  400    HD2  LYS  50           HD2      LYS  50 -13.936  -0.145 -17.450
  401    HD3  LYS  50           HD3      LYS  50 -13.039  -1.347 -18.386
  402    HE2  LYS  50           HE2      LYS  50 -13.907  -3.129 -16.799
  403    HE3  LYS  50           HE3      LYS  50 -14.962  -1.906 -16.085
  404    HZ1  LYS  50           HZ1      LYS  50 -15.008  -2.806 -18.914
  405    HZ2  LYS  50           HZ2      LYS  50 -16.114  -3.170 -17.776
  406    HZ3  LYS  50           HZ3      LYS  50 -15.967  -1.631 -18.311
  407    H    LYS  51           H        LYS  51  -9.327  -1.927 -14.198
  408    HA   LYS  51           HA       LYS  51  -7.614   0.389 -14.864
  409    HB2  LYS  51           HB2      LYS  51  -7.148  -2.596 -14.510
  410    HB3  LYS  51           HB3      LYS  51  -5.905  -1.554 -15.211
  411    HG2  LYS  51           HG2      LYS  51  -5.838  -0.140 -13.246
  412    HG3  LYS  51           HG3      LYS  51  -7.167  -1.043 -12.492
  413    HD2  LYS  51           HD2      LYS  51  -5.754  -3.099 -12.506
  414    HD3  LYS  51           HD3      LYS  51  -4.421  -2.161 -13.218
  415    HE2  LYS  51           HE2      LYS  51  -4.434  -0.657 -11.236
  416    HE3  LYS  51           HE3      LYS  51  -5.763  -1.592 -10.535
  417    HZ1  LYS  51           HZ1      LYS  51  -4.278  -3.511 -10.447
  418    HZ2  LYS  51           HZ2      LYS  51  -3.049  -2.646 -11.094
  419    HZ3  LYS  51           HZ3      LYS  51  -3.633  -2.263  -9.623
  420    H    SER  52           H        SER  52  -9.520  -1.942 -16.613
  421    HA   SER  52           HA       SER  52  -8.024  -2.372 -18.866
  422    HB2  SER  52           HB2      SER  52 -11.036  -2.310 -18.873
  423    HB3  SER  52           HB3      SER  52  -9.952  -3.471 -19.644
  424    HG   SER  52           HG       SER  52 -11.105  -4.143 -17.688
  425    H    ARG  53           H        ARG  53  -8.341   0.704 -18.427
  426    HA   ARG  53           HA       ARG  53  -9.842   1.619 -20.762
  427    HB2  ARG  53           HB2      ARG  53  -9.087   2.872 -18.464
  428    HB3  ARG  53           HB3      ARG  53  -7.740   3.367 -19.494
  429    HG2  ARG  53           HG2      ARG  53  -9.415   4.271 -21.156
  430    HG3  ARG  53           HG3      ARG  53 -10.707   3.723 -20.084
  431    HD2  ARG  53           HD2      ARG  53 -10.555   5.955 -19.563
  432    HD3  ARG  53           HD3      ARG  53  -9.599   5.208 -18.270
  433    HE   ARG  53           HE       ARG  53  -7.695   5.815 -20.140
  434   HH11  ARG  53          HH11      ARG  53 -10.106   7.684 -18.300
  435   HH12  ARG  53          HH12      ARG  53  -9.334   9.208 -18.606
  436   HH21  ARG  53          HH21      ARG  53  -6.632   7.765 -20.425
  437   HH22  ARG  53          HH22      ARG  53  -7.268   9.255 -19.808
  438    H    LYS  54           H        LYS  54  -8.514   3.034 -22.419
  439    HA   LYS  54           HA       LYS  54  -6.605   1.401 -23.788
  440    HB2  LYS  54           HB2      LYS  54  -7.145   4.403 -23.987
  441    HB3  LYS  54           HB3      LYS  54  -6.118   3.482 -25.092
  442    HG2  LYS  54           HG2      LYS  54  -8.047   2.062 -25.735
  443    HG3  LYS  54           HG3      LYS  54  -9.098   2.991 -24.649
  444    HD2  LYS  54           HD2      LYS  54  -8.617   5.055 -25.942
  445    HD3  LYS  54           HD3      LYS  54  -7.578   4.119 -27.041
  446    HE2  LYS  54           HE2      LYS  54  -9.518   2.692 -27.655
  447    HE3  LYS  54           HE3      LYS  54 -10.551   3.616 -26.558
  448    HZ1  LYS  54           HZ1      LYS  54 -10.151   5.574 -27.935
  449    HZ2  LYS  54           HZ2      LYS  54  -9.195   4.720 -28.950
  450    HZ3  LYS  54           HZ3      LYS  54 -10.781   4.372 -28.835
  451    H    THR  55           H        THR  55  -6.206   4.247 -21.612
  452    HA   THR  55           HA       THR  55  -3.305   3.845 -21.402
  453    HB   THR  55           HB       THR  55  -3.603   5.827 -19.833
  454    HG1  THR  55           HG1      THR  55  -5.520   6.308 -19.271
  455   HG21  THR  55          HG21      THR  55  -3.064   6.148 -22.250
  456   HG22  THR  55          HG22      THR  55  -4.804   6.225 -22.611
  457   HG23  THR  55          HG23      THR  55  -4.050   7.461 -21.583
  458    H    SER  56           H        SER  56  -2.451   3.763 -19.020
  459    HA   SER  56           HA       SER  56  -3.592   1.570 -17.581
  460    HB2  SER  56           HB2      SER  56  -1.623   3.663 -16.579
  461    HB3  SER  56           HB3      SER  56  -1.810   1.993 -16.013
  462    HG   SER  56           HG       SER  56  -0.035   2.237 -17.446
  463    H    THR  57           H        THR  57  -4.694   4.792 -17.724
  464    HA   THR  57           HA       THR  57  -5.233   5.549 -15.123
  465    HB   THR  57           HB       THR  57  -7.120   6.005 -17.436
  466    HG1  THR  57           HG1      THR  57  -4.616   7.291 -17.110
  467   HG21  THR  57          HG21      THR  57  -7.193   8.321 -16.564
  468   HG22  THR  57          HG22      THR  57  -7.723   7.140 -15.357
  469   HG23  THR  57          HG23      THR  57  -6.100   7.854 -15.241
  470    H    ILE  58           H        ILE  58  -6.747   4.991 -13.598
  471    HA   ILE  58           HA       ILE  58  -8.519   2.732 -14.124
  472    HB   ILE  58           HB       ILE  58  -7.684   4.333 -11.712
  473   HG12  ILE  58          HG12      ILE  58  -7.757   1.391 -12.528
  474   HG13  ILE  58          HG13      ILE  58  -6.340   2.442 -12.509
  475   HG21  ILE  58          HG21      ILE  58 -10.128   4.172 -11.390
  476   HG22  ILE  58          HG22      ILE  58 -10.043   2.419 -11.661
  477   HG23  ILE  58          HG23      ILE  58  -9.263   3.166 -10.248
  478   HD11  ILE  58          HD11      ILE  58  -6.215   0.999 -10.621
  479   HD12  ILE  58          HD12      ILE  58  -6.610   2.619  -9.999
  480   HD13  ILE  58          HD13      ILE  58  -7.873   1.361 -10.129
  481    H    GLU  59           H        GLU  59 -10.720   2.765 -14.001
  482    HA   GLU  59           HA       GLU  59 -12.165   5.358 -14.048
  483    HB2  GLU  59           HB2      GLU  59 -12.630   2.919 -15.829
  484    HB3  GLU  59           HB3      GLU  59 -13.799   4.217 -15.631
  485    HG2  GLU  59           HG2      GLU  59 -10.993   4.493 -16.768
  486    HG3  GLU  59           HG3      GLU  59 -12.479   4.439 -17.704
  487    H    GLU  60           H        GLU  60 -14.473   4.949 -13.276
  488    HA   GLU  60           HA       GLU  60 -14.456   2.785 -11.206
  489    HB2  GLU  60           HB2      GLU  60 -15.142   5.731 -10.849
  490    HB3  GLU  60           HB3      GLU  60 -15.325   4.461  -9.633
  491    HG2  GLU  60           HG2      GLU  60 -12.850   4.039  -9.758
  492    HG3  GLU  60           HG3      GLU  60 -12.694   5.409 -10.864
  493    H    LYS  61           H        LYS  61 -16.012   1.460 -11.960
  494    HA   LYS  61           HA       LYS  61 -18.606   2.650 -12.886
  495    HB2  LYS  61           HB2      LYS  61 -17.355   1.385 -14.574
  496    HB3  LYS  61           HB3      LYS  61 -17.250  -0.009 -13.488
  497    HG2  LYS  61           HG2      LYS  61 -19.664  -0.317 -13.536
  498    HG3  LYS  61           HG3      LYS  61 -19.878   1.135 -14.509
  499    HD2  LYS  61           HD2      LYS  61 -18.174  -1.242 -15.402
  500    HD3  LYS  61           HD3      LYS  61 -19.895  -1.173 -15.713
  501    HE2  LYS  61           HE2      LYS  61 -17.849   0.873 -16.691
  502    HE3  LYS  61           HE3      LYS  61 -18.554  -0.429 -17.656
  503    HZ1  LYS  61           HZ1      LYS  61 -20.734   0.581 -17.357
  504    HZ2  LYS  61           HZ2      LYS  61 -20.101   1.796 -16.470
  505    HZ3  LYS  61           HZ3      LYS  61 -19.698   1.651 -18.052
  506    H    THR  62           H        THR  62 -20.195   2.513 -11.334
  507    HA   THR  62           HA       THR  62 -19.969   0.749  -9.082
  508    HB   THR  62           HB       THR  62 -22.498   2.112 -10.083
  509    HG1  THR  62           HG1      THR  62 -21.743   3.996  -9.445
  510   HG21  THR  62          HG21      THR  62 -22.622   0.675  -8.026
  511   HG22  THR  62          HG22      THR  62 -21.356   1.672  -7.281
  512   HG23  THR  62          HG23      THR  62 -22.939   2.383  -7.676
  513    H    VAL  63           H        VAL  63 -20.666  -1.311  -8.872
  514    HA   VAL  63           HA       VAL  63 -22.381  -2.493 -11.015
  515    HB   VAL  63           HB       VAL  63 -20.876  -4.484 -10.965
  516   HG11  VAL  63          HG11      VAL  63 -19.250  -3.636 -12.535
  517   HG12  VAL  63          HG12      VAL  63 -20.782  -2.788 -12.795
  518   HG13  VAL  63          HG13      VAL  63 -19.449  -1.979 -11.941
  519   HG21  VAL  63          HG21      VAL  63 -18.557  -4.301 -10.229
  520   HG22  VAL  63          HG22      VAL  63 -18.834  -2.661  -9.619
  521   HG23  VAL  63          HG23      VAL  63 -19.634  -4.050  -8.851
  522    H    GLU  64           H        GLU  64 -23.624  -4.268 -10.445
  523    HA   GLU  64           HA       GLU  64 -23.864  -4.848  -7.514
  524    HB2  GLU  64           HB2      GLU  64 -25.984  -4.188  -8.580
  525    HB3  GLU  64           HB3      GLU  64 -25.780  -5.436  -9.815
  526    HG2  GLU  64           HG2      GLU  64 -25.891  -7.188  -8.064
  527    HG3  GLU  64           HG3      GLU  64 -26.006  -5.941  -6.818
  528    H    VAL  65           H        VAL  65 -22.873  -6.748  -6.951
  529    HA   VAL  65           HA       VAL  65 -21.673  -8.380  -9.109
  530    HB   VAL  65           HB       VAL  65 -21.122  -8.548  -6.122
  531   HG11  VAL  65          HG11      VAL  65 -20.377 -10.456  -7.504
  532   HG12  VAL  65          HG12      VAL  65 -19.579  -9.340  -8.633
  533   HG13  VAL  65          HG13      VAL  65 -18.970  -9.520  -6.979
  534   HG21  VAL  65          HG21      VAL  65 -20.573  -6.238  -6.722
  535   HG22  VAL  65          HG22      VAL  65 -19.090  -7.164  -6.538
  536   HG23  VAL  65          HG23      VAL  65 -19.689  -6.781  -8.161
  537    H    LEU  66           H        LEU  66 -22.951  -9.987  -9.787
  538    HA   LEU  66           HA       LEU  66 -25.310 -10.824  -8.363
  539    HB2  LEU  66           HB2      LEU  66 -23.832 -12.012 -10.758
  540    HB3  LEU  66           HB3      LEU  66 -25.297 -12.698 -10.101
  541    HG   LEU  66           HG       LEU  66 -25.863 -11.497 -12.040
  542   HD11  LEU  66          HD11      LEU  66 -26.791  -9.787  -9.697
  543   HD12  LEU  66          HD12      LEU  66 -27.593 -10.002 -11.263
  544   HD13  LEU  66          HD13      LEU  66 -27.473 -11.369 -10.143
  545   HD21  LEU  66          HD21      LEU  66 -23.926  -9.928 -12.064
  546   HD22  LEU  66          HD22      LEU  66 -25.479  -9.193 -12.472
  547   HD23  LEU  66          HD23      LEU  66 -24.776  -8.918 -10.868
  548    H    GLY  67           H        GLY  67 -21.975 -12.108  -8.611
  549    HA2  GLY  67           HA2      GLY  67 -21.760 -13.584  -6.368
  550    HA3  GLY  67           HA3      GLY  67 -22.654 -14.670  -7.459
  551    H    MET  68           H        MET  68 -20.478 -15.756  -6.999
  552    HA   MET  68           HA       MET  68 -18.140 -14.921  -8.444
  553    HB2  MET  68           HB2      MET  68 -18.464 -16.697  -6.492
  554    HB3  MET  68           HB3      MET  68 -18.848 -17.812  -7.811
  555    HG2  MET  68           HG2      MET  68 -16.533 -18.033  -7.266
  556    HG3  MET  68           HG3      MET  68 -16.624 -17.231  -8.839
  557    HE1  MET  68           HE1      MET  68 -13.950 -17.345  -7.340
  558    HE2  MET  68           HE2      MET  68 -14.246 -16.461  -8.855
  559    HE3  MET  68           HE3      MET  68 -13.408 -15.660  -7.507
  560    H    ALA  69           H        ALA  69 -17.355 -15.633 -10.450
  561    HA   ALA  69           HA       ALA  69 -19.340 -15.877 -12.512
  562    HB1  ALA  69           HB1      ALA  69 -16.316 -16.230 -12.570
  563    HB2  ALA  69           HB2      ALA  69 -17.333 -15.956 -13.988
  564    HB3  ALA  69           HB3      ALA  69 -17.185 -14.687 -12.779
  565    HA   PRO  70           HA       PRO  70 -19.702 -20.278 -13.258
  566    HB2  PRO  70           HB2      PRO  70 -18.292 -19.804 -15.891
  567    HB3  PRO  70           HB3      PRO  70 -19.736 -20.812 -15.553
  568    HG2  PRO  70           HG2      PRO  70 -20.050 -18.343 -16.604
  569    HG3  PRO  70           HG3      PRO  70 -21.110 -18.867 -15.253
  570    HD2  PRO  70           HD2      PRO  70 -18.658 -17.116 -15.160
  571    HD3  PRO  70           HD3      PRO  70 -20.223 -16.896 -14.320
  572    H    ASP  71           H        ASP  71 -18.542 -22.175 -13.095
  573    HA   ASP  71           HA       ASP  71 -16.018 -22.173 -11.894
  574    HB2  ASP  71           HB2      ASP  71 -17.701 -23.996 -11.789
  575    HB3  ASP  71           HB3      ASP  71 -17.388 -24.376 -13.488
  576    H    ASP  72           H        ASP  72 -16.906 -22.380 -15.305
  577    HA   ASP  72           HA       ASP  72 -14.375 -23.229 -16.346
  578    HB2  ASP  72           HB2      ASP  72 -16.499 -23.457 -17.566
  579    HB3  ASP  72           HB3      ASP  72 -16.645 -21.699 -17.666
  580    H    GLU  73           H        GLU  73 -15.627 -20.032 -15.422
  581    HA   GLU  73           HA       GLU  73 -13.411 -18.573 -16.721
  582    HB2  GLU  73           HB2      GLU  73 -15.417 -17.674 -14.598
  583    HB3  GLU  73           HB3      GLU  73 -14.275 -16.644 -15.440
  584    HG2  GLU  73           HG2      GLU  73 -16.650 -18.112 -16.650
  585    HG3  GLU  73           HG3      GLU  73 -16.509 -16.384 -16.367
  586    H    CYS  74           H        CYS  74 -14.422 -19.788 -13.523
  587    HA   CYS  74           HA       CYS  74 -12.186 -18.641 -12.141
  588    HB2  CYS  74           HB2      CYS  74 -14.245 -20.678 -11.217
  589    HB3  CYS  74           HB3      CYS  74 -13.137 -19.751 -10.188
  590    HG   CYS  74           HG       CYS  74 -15.623 -18.772 -12.126
  591    H    LEU  75           H        LEU  75 -11.710 -20.855 -14.294
  592    HA   LEU  75           HA       LEU  75 -10.611 -23.088 -12.885
  593    HB2  LEU  75           HB2      LEU  75 -11.319 -22.467 -15.552
  594    HB3  LEU  75           HB3      LEU  75  -9.589 -22.673 -15.615
  595    HG   LEU  75           HG       LEU  75 -10.647 -24.725 -16.161
  596   HD11  LEU  75          HD11      LEU  75  -9.697 -26.312 -14.591
  597   HD12  LEU  75          HD12      LEU  75  -8.601 -24.940 -14.800
  598   HD13  LEU  75          HD13      LEU  75  -9.583 -25.073 -13.327
  599   HD21  LEU  75          HD21      LEU  75 -12.168 -25.968 -14.705
  600   HD22  LEU  75          HD22      LEU  75 -12.137 -24.660 -13.509
  601   HD23  LEU  75          HD23      LEU  75 -12.833 -24.382 -15.109
  602    H    LYS  76           H        LYS  76  -9.334 -19.929 -13.482
  603    HA   LYS  76           HA       LYS  76  -6.593 -20.837 -12.704
  604    HB2  LYS  76           HB2      LYS  76  -7.198 -18.830 -14.920
  605    HB3  LYS  76           HB3      LYS  76  -5.616 -19.404 -14.383
  606    HG2  LYS  76           HG2      LYS  76  -6.217 -21.701 -15.187
  607    HG3  LYS  76           HG3      LYS  76  -7.782 -21.069 -15.732
  608    HD2  LYS  76           HD2      LYS  76  -6.232 -21.291 -17.606
  609    HD3  LYS  76           HD3      LYS  76  -6.717 -19.605 -17.351
  610    HE2  LYS  76           HE2      LYS  76  -4.609 -19.147 -16.172
  611    HE3  LYS  76           HE3      LYS  76  -4.126 -20.842 -16.323
  612    HZ1  LYS  76           HZ1      LYS  76  -4.077 -20.539 -18.738
  613    HZ2  LYS  76           HZ2      LYS  76  -4.526 -18.974 -18.596
  614    HZ3  LYS  76           HZ3      LYS  76  -3.084 -19.466 -18.021
  615    H    ASP  77           H        ASP  77  -9.054 -18.337 -12.718
  616    HA   ASP  77           HA       ASP  77  -7.515 -16.611 -10.899
  617    HB2  ASP  77           HB2      ASP  77  -6.806 -15.896 -13.143
  618    HB3  ASP  77           HB3      ASP  77  -8.488 -15.726 -13.641
  619    H    MET  78           H        MET  78  -8.924 -14.873 -10.018
  620    HA   MET  78           HA       MET  78 -11.553 -16.089  -9.412
  621    HB2  MET  78           HB2      MET  78 -10.009 -13.772  -8.180
  622    HB3  MET  78           HB3      MET  78 -11.579 -14.332  -7.615
  623    HG2  MET  78           HG2      MET  78  -9.002 -15.958  -7.626
  624    HG3  MET  78           HG3      MET  78  -9.762 -15.195  -6.243
  625    HE1  MET  78           HE1      MET  78 -10.666 -19.348  -7.886
  626    HE2  MET  78           HE2      MET  78 -10.469 -18.038  -9.060
  627    HE3  MET  78           HE3      MET  78  -9.150 -18.426  -7.931
  628    H    TYR  79           H        TYR  79 -13.321 -15.486 -10.545
  629    HA   TYR  79           HA       TYR  79 -13.529 -12.701 -11.586
  630    HB2  TYR  79           HB2      TYR  79 -14.233 -15.371 -12.863
  631    HB3  TYR  79           HB3      TYR  79 -14.871 -13.843 -13.431
  632    HD1  TYR  79           HD2      TYR  79 -13.316 -12.072 -14.341
  633    HD2  TYR  79           HD1      TYR  79 -12.079 -16.132 -13.585
  634    HE1  TYR  79           HE2      TYR  79 -11.436 -11.783 -15.922
  635    HE2  TYR  79           HE1      TYR  79 -10.229 -15.878 -15.195
  636    HH   TYR  79           HH       TYR  79  -9.131 -14.442 -16.679
  637    H    VAL  80           H        VAL  80 -15.649 -11.842 -11.626
  638    HA   VAL  80           HA       VAL  80 -17.786 -13.393 -10.229
  639    HB   VAL  80           HB       VAL  80 -18.413 -11.173  -9.201
  640   HG11  VAL  80          HG11      VAL  80 -15.875 -12.524  -8.221
  641   HG12  VAL  80          HG12      VAL  80 -16.905 -11.425  -7.270
  642   HG13  VAL  80          HG13      VAL  80 -17.558 -12.956  -7.832
  643   HG21  VAL  80          HG21      VAL  80 -16.893  -9.694 -10.529
  644   HG22  VAL  80          HG22      VAL  80 -16.711  -9.494  -8.782
  645   HG23  VAL  80          HG23      VAL  80 -15.498 -10.412  -9.695
  646    H    GLU  81           H        GLU  81 -19.890 -12.883 -10.869
  647    HA   GLU  81           HA       GLU  81 -20.120 -11.605 -13.558
  648    HB2  GLU  81           HB2      GLU  81 -22.002 -13.228 -11.814
  649    HB3  GLU  81           HB3      GLU  81 -22.612 -12.215 -13.134
  650    HG2  GLU  81           HG2      GLU  81 -21.167 -13.376 -14.751
  651    HG3  GLU  81           HG3      GLU  81 -20.532 -14.405 -13.475
  652    H    VAL  82           H        VAL  82 -21.098  -9.626 -13.851
  653    HA   VAL  82           HA       VAL  82 -21.980  -8.119 -11.462
  654    HB   VAL  82           HB       VAL  82 -20.535  -6.219 -12.332
  655   HG11  VAL  82          HG11      VAL  82 -18.555  -6.930 -11.131
  656   HG12  VAL  82          HG12      VAL  82 -20.008  -7.481 -10.295
  657   HG13  VAL  82          HG13      VAL  82 -19.039  -8.633 -11.240
  658   HG21  VAL  82          HG21      VAL  82 -19.944  -7.184 -14.567
  659   HG22  VAL  82          HG22      VAL  82 -18.551  -6.667 -13.620
  660   HG23  VAL  82          HG23      VAL  82 -18.938  -8.396 -13.743
  661    H    ALA  83           H        ALA  83 -23.480  -6.595 -11.850
  662    HA   ALA  83           HA       ALA  83 -24.435  -6.251 -14.666
  663    HB1  ALA  83           HB1      ALA  83 -25.879  -5.710 -12.042
  664    HB2  ALA  83           HB2      ALA  83 -26.537  -5.475 -13.679
  665    HB3  ALA  83           HB3      ALA  83 -26.158  -7.105 -13.100
  666    H    ASP  84           H        ASP  84 -24.303  -4.224 -15.533
  667    HA   ASP  84           HA       ASP  84 -22.606  -2.275 -14.165
  668    HB2  ASP  84           HB2      ASP  84 -22.277  -2.845 -16.534
  669    HB3  ASP  84           HB3      ASP  84 -23.904  -2.257 -16.910
  670    H    ILE  85           H        ILE  85 -24.403  -2.148 -12.463
  671    HA   ILE  85           HA       ILE  85 -26.790  -0.695 -12.995
  672    HB   ILE  85           HB       ILE  85 -26.941  -0.320 -10.619
  673   HG12  ILE  85          HG12      ILE  85 -24.131  -1.422 -10.351
  674   HG13  ILE  85          HG13      ILE  85 -24.558   0.275 -10.163
  675   HG21  ILE  85          HG21      ILE  85 -25.831  -3.120 -11.080
  676   HG22  ILE  85          HG22      ILE  85 -27.105  -2.611  -9.950
  677   HG23  ILE  85          HG23      ILE  85 -27.408  -2.577 -11.683
  678   HD11  ILE  85          HD11      ILE  85 -24.334  -0.781  -7.974
  679   HD12  ILE  85          HD12      ILE  85 -26.017  -0.286  -8.241
  680   HD13  ILE  85          HD13      ILE  85 -25.541  -1.992  -8.383
  681    H    GLY  86           H        GLY  86 -23.591   0.442 -13.155
  682    HA2  GLY  86           HA2      GLY  86 -24.229   3.256 -12.564
  683    HA3  GLY  86           HA3      GLY  86 -22.667   2.559 -13.014
  684    H    GLY  87           H        GLY  87 -24.370   1.145 -15.346
  685    HA2  GLY  87           HA2      GLY  87 -24.368   3.510 -17.196
  686    HA3  GLY  87           HA3      GLY  87 -23.355   2.084 -17.442
  687    H    LYS  88           H        LYS  88 -25.640   0.234 -16.586
  688    HA   LYS  88           HA       LYS  88 -27.436   0.529 -18.958
  689    HB2  LYS  88           HB2      LYS  88 -25.809  -1.953 -18.238
  690    HB3  LYS  88           HB3      LYS  88 -27.074  -1.903 -19.452
  691    HG2  LYS  88           HG2      LYS  88 -24.489  -0.291 -19.595
  692    HG3  LYS  88           HG3      LYS  88 -24.772  -1.841 -20.377
  693    HD2  LYS  88           HD2      LYS  88 -26.616  -0.882 -21.712
  694    HD3  LYS  88           HD3      LYS  88 -26.360   0.700 -20.947
  695    HE2  LYS  88           HE2      LYS  88 -24.031   0.742 -21.807
  696    HE3  LYS  88           HE3      LYS  88 -24.286  -0.827 -22.580
  697    HZ1  LYS  88           HZ1      LYS  88 -25.995   0.206 -23.962
  698    HZ2  LYS  88           HZ2      LYS  88 -25.759   1.658 -23.245
  699    HZ3  LYS  88           HZ3      LYS  88 -24.577   0.986 -24.142
  700    H    ASP  89           H        ASP  89 -26.716  -1.117 -15.911
  701    HA   ASP  89           HA       ASP  89 -27.825  -2.097 -14.305
  702    HB2  ASP  89           HB2      ASP  89 -28.975  -0.014 -14.032
  703    HB3  ASP  89           HB3      ASP  89 -30.143  -0.413 -15.288
  704    H    ASP  90           H        ASP  90 -29.534  -2.411 -17.393
  705    HA   ASP  90           HA       ASP  90 -31.104  -4.676 -16.505
  706    HB2  ASP  90           HB2      ASP  90 -31.908  -2.811 -17.959
  707    HB3  ASP  90           HB3      ASP  90 -30.803  -3.348 -19.224
  708    H    ASP  91           H        ASP  91 -27.901  -4.666 -17.385
  709    HA   ASP  91           HA       ASP  91 -28.070  -7.372 -18.573
  710    HB2  ASP  91           HB2      ASP  91 -27.841  -5.589 -20.401
  711    HB3  ASP  91           HB3      ASP  91 -26.232  -5.270 -19.733
  712    H    VAL  92           H        VAL  92 -25.915  -8.407 -18.648
  713    HA   VAL  92           HA       VAL  92 -24.369  -7.820 -16.177
  714    HB   VAL  92           HB       VAL  92 -25.526 -10.509 -17.028
  715   HG11  VAL  92          HG11      VAL  92 -24.025  -9.745 -14.493
  716   HG12  VAL  92          HG12      VAL  92 -24.824 -11.301 -14.787
  717   HG13  VAL  92          HG13      VAL  92 -23.444 -10.833 -15.772
  718   HG21  VAL  92          HG21      VAL  92 -26.941 -10.311 -14.966
  719   HG22  VAL  92          HG22      VAL  92 -26.398  -8.628 -14.801
  720   HG23  VAL  92          HG23      VAL  92 -27.357  -9.134 -16.206
  721    H    TYR  93           H        TYR  93 -22.283  -8.568 -16.152
  722    HA   TYR  93           HA       TYR  93 -20.960  -9.595 -18.594
  723    HB2  TYR  93           HB2      TYR  93 -20.126  -7.122 -17.006
  724    HB3  TYR  93           HB3      TYR  93 -19.303  -7.786 -18.406
  725    HD1  TYR  93           HD2      TYR  93 -20.239  -7.520 -20.691
  726    HD2  TYR  93           HD1      TYR  93 -22.139  -5.745 -17.244
  727    HE1  TYR  93           HE2      TYR  93 -21.568  -6.055 -22.182
  728    HE2  TYR  93           HE1      TYR  93 -23.485  -4.289 -18.725
  729    HH   TYR  93           HH       TYR  93 -23.960  -3.688 -20.931
  730    H    THR  94           H        THR  94 -18.367  -9.556 -17.637
  731    HA   THR  94           HA       THR  94 -18.441 -10.771 -14.927
  732    HB   THR  94           HB       THR  94 -16.783 -11.777 -17.271
  733    HG1  THR  94           HG1      THR  94 -18.958 -12.294 -17.538
  734   HG21  THR  94          HG21      THR  94 -17.215 -12.921 -14.473
  735   HG22  THR  94          HG22      THR  94 -16.340 -13.727 -15.795
  736   HG23  THR  94          HG23      THR  94 -15.705 -12.230 -15.103
  737    H    ALA  95           H        ALA  95 -16.621 -10.268 -13.669
  738    HA   ALA  95           HA       ALA  95 -14.599  -8.409 -14.799
  739    HB1  ALA  95           HB1      ALA  95 -16.156  -8.032 -12.201
  740    HB2  ALA  95           HB2      ALA  95 -14.769  -7.047 -12.718
  741    HB3  ALA  95           HB3      ALA  95 -16.276  -7.011 -13.647
  742    H    LYS  96           H        LYS  96 -12.587  -8.516 -13.711
  743    HA   LYS  96           HA       LYS  96 -12.037 -11.043 -12.298
  744    HB2  LYS  96           HB2      LYS  96  -9.739 -10.034 -12.053
  745    HB3  LYS  96           HB3      LYS  96 -10.240 -10.441 -13.681
  746    HG2  LYS  96           HG2      LYS  96 -10.801  -7.625 -12.878
  747    HG3  LYS  96           HG3      LYS  96  -9.095  -8.067 -12.924
  748    HD2  LYS  96           HD2      LYS  96  -9.180  -8.642 -15.228
  749    HD3  LYS  96           HD3      LYS  96 -10.951  -8.571 -15.284
  750    HE2  LYS  96           HE2      LYS  96 -10.998  -6.197 -15.038
  751    HE3  LYS  96           HE3      LYS  96  -9.316  -6.131 -14.496
  752    HZ1  LYS  96           HZ1      LYS  96  -9.538  -5.389 -16.786
  753    HZ2  LYS  96           HZ2      LYS  96  -8.608  -6.728 -16.723
  754    HZ3  LYS  96           HZ3      LYS  96 -10.150  -6.832 -17.252
  755    H    LEU  97           H        LEU  97 -12.089 -11.247 -10.107
  756    HA   LEU  97           HA       LEU  97 -13.317  -9.187  -8.538
  757    HB2  LEU  97           HB2      LEU  97 -13.425 -11.608  -7.998
  758    HB3  LEU  97           HB3      LEU  97 -11.687 -11.614  -7.669
  759    HG   LEU  97           HG       LEU  97 -12.009 -10.074  -5.762
  760   HD11  LEU  97          HD11      LEU  97 -14.371  -9.618  -4.962
  761   HD12  LEU  97          HD12      LEU  97 -13.953  -8.761  -6.439
  762   HD13  LEU  97          HD13      LEU  97 -14.969 -10.218  -6.517
  763   HD21  LEU  97          HD21      LEU  97 -12.156 -12.539  -5.475
  764   HD22  LEU  97          HD22      LEU  97 -13.114 -11.657  -4.285
  765   HD23  LEU  97          HD23      LEU  97 -13.924 -12.430  -5.667
  766    H    SER  98           H        SER  98  -9.970 -10.079  -9.206
  767    HA   SER  98           HA       SER  98  -8.417  -8.590  -7.564
  768    HB2  SER  98           HB2      SER  98  -8.067  -8.794 -10.570
  769    HB3  SER  98           HB3      SER  98  -6.813  -8.807  -9.323
  770    HG   SER  98           HG       SER  98  -7.391 -10.912 -10.226
  771    H    ASP  99           H        ASP  99 -10.637  -7.250  -9.996
  772    HA   ASP  99           HA       ASP  99  -9.260  -4.623  -9.785
  773    HB2  ASP  99           HB2      ASP  99  -9.346  -5.970 -11.991
  774    HB3  ASP  99           HB3      ASP  99 -11.049  -5.495 -12.061
  775    H    ILE 100           H        ILE 100 -11.554  -5.970  -8.208
  776    HA   ILE 100           HA       ILE 100 -13.476  -3.692  -8.353
  777    HB   ILE 100           HB       ILE 100 -13.857  -6.628  -8.312
  778   HG12  ILE 100          HG12      ILE 100 -15.671  -4.306  -9.071
  779   HG13  ILE 100          HG13      ILE 100 -14.471  -5.047 -10.153
  780   HG21  ILE 100          HG21      ILE 100 -14.672  -6.200  -6.010
  781   HG22  ILE 100          HG22      ILE 100 -15.830  -5.013  -6.664
  782   HG23  ILE 100          HG23      ILE 100 -15.938  -6.729  -7.097
  783   HD11  ILE 100          HD11      ILE 100 -17.013  -6.300  -9.065
  784   HD12  ILE 100          HD12      ILE 100 -16.594  -5.909 -10.738
  785   HD13  ILE 100          HD13      ILE 100 -15.735  -7.224  -9.903
  786    H    GLU 101           H        GLU 101 -14.362  -2.987  -6.484
  787    HA   GLU 101           HA       GLU 101 -13.070  -3.745  -3.919
  788    HB2  GLU 101           HB2      GLU 101 -12.328  -1.483  -4.583
  789    HB3  GLU 101           HB3      GLU 101 -14.007  -1.005  -4.890
  790    HG2  GLU 101           HG2      GLU 101 -13.237  -0.118  -2.754
  791    HG3  GLU 101           HG3      GLU 101 -14.559  -1.247  -2.517
  792    H    ALA 102           H        ALA 102 -14.580  -4.258  -2.345
  793    HA   ALA 102           HA       ALA 102 -17.354  -4.643  -3.293
  794    HB1  ALA 102           HB1      ALA 102 -15.994  -5.495  -0.697
  795    HB2  ALA 102           HB2      ALA 102 -17.574  -6.030  -1.321
  796    HB3  ALA 102           HB3      ALA 102 -16.088  -6.471  -2.179
  797    H    ILE 103           H        ILE 103 -19.067  -3.575  -2.443
  798    HA   ILE 103           HA       ILE 103 -18.665  -1.591  -0.251
  799    HB   ILE 103           HB       ILE 103 -20.031  -1.311  -2.941
  800   HG12  ILE 103          HG12      ILE 103 -17.890   0.424  -1.632
  801   HG13  ILE 103          HG13      ILE 103 -17.545  -0.863  -2.785
  802   HG21  ILE 103          HG21      ILE 103 -21.541  -0.336  -1.233
  803   HG22  ILE 103          HG22      ILE 103 -20.196   0.644  -0.602
  804   HG23  ILE 103          HG23      ILE 103 -20.843   0.917  -2.235
  805   HD11  ILE 103          HD11      ILE 103 -17.498   1.197  -3.958
  806   HD12  ILE 103          HD12      ILE 103 -18.909   0.264  -4.500
  807   HD13  ILE 103          HD13      ILE 103 -19.112   1.654  -3.401
  808    H    ASP 104           H        ASP 104 -20.293  -1.533   1.249
  809    HA   ASP 104           HA       ASP 104 -21.996  -2.177   2.511
  810    HB2  ASP 104           HB2      ASP 104 -23.198  -1.016   0.675
  811    HB3  ASP 104           HB3      ASP 104 -23.515  -2.577  -0.081
  812    H    VAL 105           H        VAL 105 -20.143  -4.335   1.550
  813    HA   VAL 105           HA       VAL 105 -21.732  -6.792   1.713
  814    HB   VAL 105           HB       VAL 105 -19.367  -7.806   1.892
  815   HG11  VAL 105          HG11      VAL 105 -20.724  -7.881  -0.069
  816   HG12  VAL 105          HG12      VAL 105 -20.179  -6.256  -0.575
  817   HG13  VAL 105          HG13      VAL 105 -19.034  -7.623  -0.515
  818   HG21  VAL 105          HG21      VAL 105 -18.432  -5.084   0.907
  819   HG22  VAL 105          HG22      VAL 105 -18.209  -5.678   2.571
  820   HG23  VAL 105          HG23      VAL 105 -17.480  -6.553   1.215
  821    H    ASP 106           H        ASP 106 -21.041  -8.455   3.291
  822    HA   ASP 106           HA       ASP 106 -21.073  -7.406   6.048
  823    HB2  ASP 106           HB2      ASP 106 -21.981  -9.314   6.635
  824    HB3  ASP 106           HB3      ASP 106 -22.163  -9.717   4.932
  825    H    ASP 107           H        ASP 107 -19.423  -8.290   7.576
  826    HA   ASP 107           HA       ASP 107 -16.840  -7.494   6.770
  827    HB2  ASP 107           HB2      ASP 107 -17.615  -7.417   9.090
  828    HB3  ASP 107           HB3      ASP 107 -17.748  -9.178   9.134
  829    H    ASP 108           H        ASP 108 -18.229 -10.838   6.964
  830    HA   ASP 108           HA       ASP 108 -15.620 -12.039   6.673
  831    HB2  ASP 108           HB2      ASP 108 -17.761 -13.073   7.670
  832    HB3  ASP 108           HB3      ASP 108 -18.260 -13.373   5.999
  833    H    THR 109           H        THR 109 -18.304 -11.292   4.418
  834    HA   THR 109           HA       THR 109 -17.156 -12.236   2.018
  835    HB   THR 109           HB       THR 109 -19.033  -9.914   2.637
  836    HG1  THR 109           HG1      THR 109 -19.886 -11.711   3.374
  837   HG21  THR 109          HG21      THR 109 -18.282  -9.752   0.269
  838   HG22  THR 109          HG22      THR 109 -18.798 -11.428   0.014
  839   HG23  THR 109          HG23      THR 109 -20.000 -10.199   0.428
  840    H    GLN 110           H        GLN 110 -16.917  -8.932   3.562
  841    HA   GLN 110           HA       GLN 110 -15.260  -7.850   1.551
  842    HB2  GLN 110           HB2      GLN 110 -16.492  -6.755   3.626
  843    HB3  GLN 110           HB3      GLN 110 -14.980  -7.038   4.466
  844    HG2  GLN 110           HG2      GLN 110 -15.341  -5.447   1.879
  845    HG3  GLN 110           HG3      GLN 110 -15.172  -4.754   3.483
  846   HE21  GLN 110          HE22      GLN 110 -13.432  -5.491   0.680
  847   HE22  GLN 110          HE21      GLN 110 -11.836  -5.562   1.371
  848    H    GLU 111           H        GLU 111 -14.381  -9.521   4.636
  849    HA   GLU 111           HA       GLU 111 -11.587  -9.247   4.333
  850    HB2  GLU 111           HB2      GLU 111 -13.332 -11.239   5.824
  851    HB3  GLU 111           HB3      GLU 111 -11.576 -11.302   5.904
  852    HG2  GLU 111           HG2      GLU 111 -13.149  -8.786   6.629
  853    HG3  GLU 111           HG3      GLU 111 -12.755 -10.052   7.784
  854    H    ALA 112           H        ALA 112 -13.809 -11.770   3.023
  855    HA   ALA 112           HA       ALA 112 -11.706 -13.509   2.140
  856    HB1  ALA 112           HB1      ALA 112 -14.510 -13.149   0.982
  857    HB2  ALA 112           HB2      ALA 112 -13.430 -14.542   0.752
  858    HB3  ALA 112           HB3      ALA 112 -14.082 -14.191   2.360
  859    H    ILE 113           H        ILE 113 -13.411 -10.772   0.578
  860    HA   ILE 113           HA       ILE 113 -12.090 -11.031  -1.969
  861    HB   ILE 113           HB       ILE 113 -13.532  -8.723  -0.594
  862   HG12  ILE 113          HG12      ILE 113 -14.485 -10.583  -2.823
  863   HG13  ILE 113          HG13      ILE 113 -14.827 -10.869  -1.132
  864   HG21  ILE 113          HG21      ILE 113 -12.592  -8.952  -3.487
  865   HG22  ILE 113          HG22      ILE 113 -13.707  -7.706  -2.880
  866   HG23  ILE 113          HG23      ILE 113 -12.055  -7.767  -2.285
  867   HD11  ILE 113          HD11      ILE 113 -16.748  -9.842  -2.013
  868   HD12  ILE 113          HD12      ILE 113 -15.945  -8.618  -1.013
  869   HD13  ILE 113          HD13      ILE 113 -15.816  -8.559  -2.799
  870    H    ALA 114           H        ALA 114 -11.456  -9.049   0.976
  871    HA   ALA 114           HA       ALA 114  -9.164  -7.701   0.029
  872    HB1  ALA 114           HB1      ALA 114  -9.777  -8.603   2.875
  873    HB2  ALA 114           HB2      ALA 114  -8.662  -7.316   2.383
  874    HB3  ALA 114           HB3      ALA 114 -10.402  -7.124   2.110
  875    H    ASP 115           H        ASP 115  -9.493 -10.919   1.582
  876    HA   ASP 115           HA       ASP 115  -6.761 -11.499   1.896
  877    HB2  ASP 115           HB2      ASP 115  -8.743 -12.763   2.815
  878    HB3  ASP 115           HB3      ASP 115  -8.941 -13.518   1.232
  879    H    TRP 116           H        TRP 116  -8.909 -12.125  -0.944
  880    HA   TRP 116           HA       TRP 116  -6.862 -13.333  -2.561
  881    HB2  TRP 116           HB2      TRP 116  -9.172 -13.608  -3.211
  882    HB3  TRP 116           HB3      TRP 116  -9.418 -11.865  -3.294
  883    HD1  TRP 116           HD1      TRP 116  -9.350 -10.913  -5.635
  884    HE1  TRP 116           HE1      TRP 116  -8.196 -11.435  -7.867
  885    HE3  TRP 116           HE3      TRP 116  -6.691 -15.071  -4.243
  886    HZ2  TRP 116           HZ2      TRP 116  -6.377 -13.409  -8.908
  887    HZ3  TRP 116           HZ3      TRP 116  -5.256 -16.245  -5.868
  888    HH2  TRP 116           HH2      TRP 116  -5.088 -15.426  -8.215
  889    H    LEU 117           H        LEU 117  -7.918  -9.915  -2.147
  890    HA   LEU 117           HA       LEU 117  -6.240  -8.898  -4.219
  891    HB2  LEU 117           HB2      LEU 117  -7.411  -7.600  -1.728
  892    HB3  LEU 117           HB3      LEU 117  -6.529  -6.699  -2.950
  893    HG   LEU 117           HG       LEU 117  -8.987  -8.362  -3.652
  894   HD11  LEU 117          HD11      LEU 117 -10.279  -6.259  -3.563
  895   HD12  LEU 117          HD12      LEU 117  -9.664  -6.725  -1.972
  896   HD13  LEU 117          HD13      LEU 117  -8.867  -5.418  -2.880
  897   HD21  LEU 117          HD21      LEU 117  -9.094  -6.892  -5.614
  898   HD22  LEU 117          HD22      LEU 117  -7.634  -6.034  -5.077
  899   HD23  LEU 117          HD23      LEU 117  -7.544  -7.740  -5.558
  900    H    TYR 118           H        TYR 118  -5.654  -9.279  -0.667
  901    HA   TYR 118           HA       TYR 118  -3.038  -8.150  -0.683
  902    HB2  TYR 118           HB2      TYR 118  -4.163 -10.329   1.118
  903    HB3  TYR 118           HB3      TYR 118  -2.713  -9.393   1.430
  904    HD1  TYR 118           HD2      TYR 118  -3.842  -6.587   0.656
  905    HD2  TYR 118           HD1      TYR 118  -5.352  -9.815   3.097
  906    HE1  TYR 118           HE2      TYR 118  -5.160  -4.972   1.966
  907    HE2  TYR 118           HE1      TYR 118  -6.679  -8.200   4.416
  908    HH   TYR 118           HH       TYR 118  -6.652  -4.666   3.730
  909    H    TRP 119           H        TRP 119  -4.186 -11.542  -1.228
  910    HA   TRP 119           HA       TRP 119  -1.538 -12.647  -1.424
  911    HB2  TRP 119           HB2      TRP 119  -3.512 -14.036  -1.014
  912    HB3  TRP 119           HB3      TRP 119  -4.231 -13.527  -2.547
  913    HD1  TRP 119           HD1      TRP 119  -3.247 -14.468  -4.742
  914    HE1  TRP 119           HE1      TRP 119  -1.491 -16.228  -5.381
  915    HE3  TRP 119           HE3      TRP 119  -1.403 -15.422  -0.084
  916    HZ2  TRP 119           HZ2      TRP 119   0.342 -18.010  -3.959
  917    HZ3  TRP 119           HZ3      TRP 119   0.382 -17.108   0.253
  918    HH2  TRP 119           HH2      TRP 119   1.264 -18.404  -1.682
  919    H    LEU 120           H        LEU 120  -3.814 -11.361  -3.964
  920    HA   LEU 120           HA       LEU 120  -1.967 -12.085  -5.986
  921    HB2  LEU 120           HB2      LEU 120  -4.441 -11.611  -6.285
  922    HB3  LEU 120           HB3      LEU 120  -4.058  -9.888  -6.179
  923    HG   LEU 120           HG       LEU 120  -2.553 -10.130  -8.179
  924   HD11  LEU 120          HD11      LEU 120  -2.786 -12.233  -9.566
  925   HD12  LEU 120          HD12      LEU 120  -1.876 -12.466  -8.077
  926   HD13  LEU 120          HD13      LEU 120  -3.559 -13.015  -8.167
  927   HD21  LEU 120          HD21      LEU 120  -5.396 -11.124  -8.565
  928   HD22  LEU 120          HD22      LEU 120  -4.869  -9.432  -8.435
  929   HD23  LEU 120          HD23      LEU 120  -4.361 -10.407  -9.823
  930    H    ALA 121           H        ALA 121  -2.230  -9.186  -3.980
  931    HA   ALA 121           HA       ALA 121  -0.266  -7.614  -5.352
  932    HB1  ALA 121           HB1      ALA 121  -1.864  -6.658  -3.779
  933    HB2  ALA 121           HB2      ALA 121  -1.241  -7.669  -2.470
  934    HB3  ALA 121           HB3      ALA 121  -0.216  -6.386  -3.164
  935    H    ARG 122           H        ARG 122   0.014 -10.234  -2.924
  936    HA   ARG 122           HA       ARG 122   2.895  -9.975  -2.560
  937    HB2  ARG 122           HB2      ARG 122   1.159 -11.229  -1.058
  938    HB3  ARG 122           HB3      ARG 122   1.157 -12.472  -2.296
  939    HG2  ARG 122           HG2      ARG 122   2.610 -13.375  -0.850
  940    HG3  ARG 122           HG3      ARG 122   3.746 -12.579  -1.936
  941    HD2  ARG 122           HD2      ARG 122   3.930 -10.680  -0.369
  942    HD3  ARG 122           HD3      ARG 122   2.698 -11.380   0.661
  943    HE   ARG 122           HE       ARG 122   5.508 -12.089   0.494
  944   HH11  ARG 122          HH11      ARG 122   2.299 -13.411   1.497
  945   HH12  ARG 122          HH12      ARG 122   3.048 -14.818   2.234
  946   HH21  ARG 122          HH21      ARG 122   6.362 -13.947   1.561
  947   HH22  ARG 122          HH22      ARG 122   5.282 -15.177   2.130
  948    H    GLY 123           H        GLY 123   0.677 -11.495  -4.811
  949    HA2  GLY 123           HA2      GLY 123   1.725 -11.369  -7.134
  950    HA3  GLY 123           HA3      GLY 123   2.844 -12.592  -6.525
  951    H    TYR 124           H        TYR 124   1.402 -13.230  -8.600
  952    HA   TYR 124           HA       TYR 124  -1.057 -14.675  -8.189
  953    HB2  TYR 124           HB2      TYR 124  -0.029 -14.035 -10.391
  954    HB3  TYR 124           HB3      TYR 124   1.216 -15.243 -10.141
  955    HD1  TYR 124           HD1      TYR 124  -2.574 -15.035 -10.034
  956    HD2  TYR 124           HD2      TYR 124   0.913 -17.187 -11.405
  957    HE1  TYR 124           HE1      TYR 124  -4.033 -16.586 -11.304
  958    HE2  TYR 124           HE2      TYR 124  -0.531 -18.723 -12.686
  959    HH   TYR 124           HH       TYR 124  -2.700 -19.229 -13.352
  960    H    LYS 125           H        LYS 125   2.331 -15.794  -8.271
  961    HA   LYS 125           HA       LYS 125   3.585 -17.177  -7.069
  962    HB2  LYS 125           HB2      LYS 125   1.583 -16.335  -4.969
  963    HB3  LYS 125           HB3      LYS 125   2.907 -17.410  -4.560
  964    HG2  LYS 125           HG2      LYS 125   3.239 -14.617  -5.711
  965    HG3  LYS 125           HG3      LYS 125   3.332 -15.050  -4.002
  966    HD2  LYS 125           HD2      LYS 125   5.207 -16.681  -4.666
  967    HD3  LYS 125           HD3      LYS 125   5.249 -15.861  -6.226
  968    HE2  LYS 125           HE2      LYS 125   5.701 -14.577  -3.487
  969    HE3  LYS 125           HE3      LYS 125   6.958 -15.046  -4.629
  970    HZ1  LYS 125           HZ1      LYS 125   5.955 -13.415  -6.206
  971    HZ2  LYS 125           HZ2      LYS 125   4.991 -12.860  -4.981
  972    HZ3  LYS 125           HZ3      LYS 125   6.605 -12.753  -4.871
  973    H    PHE 126           H        PHE 126   0.668 -18.327  -8.053
  974    HA   PHE 126           HA       PHE 126   1.563 -21.101  -7.550
  975    HB2  PHE 126           HB2      PHE 126  -1.230 -20.039  -7.012
  976    HB3  PHE 126           HB3      PHE 126  -0.837 -21.749  -7.189
  977    HD1  PHE 126           HD2      PHE 126   1.515 -22.203  -5.526
  978    HD2  PHE 126           HD1      PHE 126  -1.918 -19.682  -4.830
  979    HE1  PHE 126           HE2      PHE 126   1.807 -22.466  -3.078
  980    HE2  PHE 126           HE1      PHE 126  -1.658 -19.996  -2.393
  981    HZ   PHE 126           HZ       PHE 126   0.225 -21.366  -1.503
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  11.840 -10.663  -1.413
    2    H2   MET   1           H2       MET   1  10.848 -10.371  -2.683
    3    H3   MET   1           H3       MET   1  11.530  -9.120  -1.882
    4    HA   MET   1           HA       MET   1   9.546 -10.992  -0.790
    5    HB2  MET   1           HB2      MET   1  11.092 -10.261   0.962
    6    HB3  MET   1           HB3      MET   1  10.852  -8.566   0.519
    7    HG2  MET   1           HG2      MET   1   8.480  -8.699   1.187
    8    HG3  MET   1           HG3      MET   1   8.655 -10.429   1.491
    9    HE1  MET   1           HE1      MET   1  10.951  -7.279   2.516
   10    HE2  MET   1           HE2      MET   1   9.250  -6.801   2.735
   11    HE3  MET   1           HE3      MET   1  10.307  -7.012   4.148
   12    H    ALA   2           H        ALA   2   7.548 -10.579  -1.487
   13    HA   ALA   2           HA       ALA   2   6.830  -8.002  -2.769
   14    HB1  ALA   2           HB1      ALA   2   5.156 -10.459  -2.040
   15    HB2  ALA   2           HB2      ALA   2   4.621  -9.071  -3.014
   16    HB3  ALA   2           HB3      ALA   2   5.881 -10.150  -3.637
   17    H    SER   3           H        SER   3   5.746  -6.365  -1.562
   18    HA   SER   3           HA       SER   3   6.166  -6.302   1.168
   19    HB2  SER   3           HB2      SER   3   4.057  -4.680  -0.286
   20    HB3  SER   3           HB3      SER   3   5.036  -4.208   1.119
   21    HG   SER   3           HG       SER   3   5.827  -3.310  -0.842
   22    H    VAL   4           H        VAL   4   3.442  -7.749  -0.464
   23    HA   VAL   4           HA       VAL   4   1.607  -7.694   1.763
   24    HB   VAL   4           HB       VAL   4   0.331  -9.320   0.384
   25   HG11  VAL   4          HG11      VAL   4   0.034  -6.886   0.096
   26   HG12  VAL   4          HG12      VAL   4   1.284  -6.870  -1.165
   27   HG13  VAL   4          HG13      VAL   4  -0.223  -7.767  -1.417
   28   HG21  VAL   4          HG21      VAL   4   1.023  -9.872  -1.875
   29   HG22  VAL   4          HG22      VAL   4   2.550  -9.003  -1.695
   30   HG23  VAL   4          HG23      VAL   4   2.241 -10.475  -0.742
   31    H    GLU   5           H        GLU   5   4.509  -9.450   1.375
   32    HA   GLU   5           HA       GLU   5   3.732 -11.849   2.830
   33    HB2  GLU   5           HB2      GLU   5   6.436 -10.587   2.215
   34    HB3  GLU   5           HB3      GLU   5   6.212 -12.114   3.075
   35    HG2  GLU   5           HG2      GLU   5   5.087 -13.100   1.141
   36    HG3  GLU   5           HG3      GLU   5   5.234 -11.590   0.241
   37    H    ARG   6           H        ARG   6   2.444 -10.418   4.359
   38    HA   ARG   6           HA       ARG   6   3.537  -8.653   6.213
   39    HB2  ARG   6           HB2      ARG   6   1.152  -8.900   6.019
   40    HB3  ARG   6           HB3      ARG   6   1.223 -10.624   6.385
   41    HG2  ARG   6           HG2      ARG   6   0.309  -9.396   8.269
   42    HG3  ARG   6           HG3      ARG   6   1.819 -10.181   8.708
   43    HD2  ARG   6           HD2      ARG   6   2.974  -7.904   8.310
   44    HD3  ARG   6           HD3      ARG   6   1.366  -7.225   8.094
   45    HE   ARG   6           HE       ARG   6   0.946  -7.403  10.352
   46   HH11  ARG   6          HH11      ARG   6   4.036  -9.076   9.660
   47   HH12  ARG   6          HH12      ARG   6   4.499  -9.143  11.323
   48   HH21  ARG   6          HH21      ARG   6   1.579  -7.550  12.546
   49   HH22  ARG   6          HH22      ARG   6   3.071  -8.286  12.989
   50    H    ASP   7           H        ASP   7   3.327 -12.229   6.490
   51    HA   ASP   7           HA       ASP   7   5.641 -12.445   8.157
   52    HB2  ASP   7           HB2      ASP   7   4.063 -11.695   9.927
   53    HB3  ASP   7           HB3      ASP   7   2.896 -12.914   9.418
   54    H    GLU   8           H        GLU   8   6.149 -14.778   8.340
   55    HA   GLU   8           HA       GLU   8   5.381 -16.146   6.006
   56    HB2  GLU   8           HB2      GLU   8   6.801 -17.163   8.505
   57    HB3  GLU   8           HB3      GLU   8   6.678 -18.058   6.983
   58    HG2  GLU   8           HG2      GLU   8   7.839 -16.203   5.797
   59    HG3  GLU   8           HG3      GLU   8   8.036 -15.351   7.330
   60    H    THR   9           H        THR   9   3.721 -16.141   9.120
   61    HA   THR   9           HA       THR   9   2.326 -18.589   9.024
   62    HB   THR   9           HB       THR   9   0.486 -17.064  10.010
   63    HG1  THR   9           HG1      THR   9   2.602 -15.214  10.215
   64   HG21  THR   9          HG21      THR   9   1.929 -18.375  11.433
   65   HG22  THR   9          HG22      THR   9   3.239 -17.189  11.269
   66   HG23  THR   9          HG23      THR   9   1.743 -16.754  12.136
   67    H    ARG  10           H        ARG  10   1.843 -15.565   7.204
   68    HA   ARG  10           HA       ARG  10  -0.674 -16.340   6.021
   69    HB2  ARG  10           HB2      ARG  10   1.442 -14.308   5.175
   70    HB3  ARG  10           HB3      ARG  10  -0.027 -14.592   4.264
   71    HG2  ARG  10           HG2      ARG  10  -0.292 -12.648   5.665
   72    HG3  ARG  10           HG3      ARG  10  -1.431 -13.912   6.131
   73    HD2  ARG  10           HD2      ARG  10  -0.104 -14.461   8.100
   74    HD3  ARG  10           HD3      ARG  10   1.171 -13.323   7.608
   75    HE   ARG  10           HE       ARG  10  -1.174 -11.830   7.747
   76   HH11  ARG  10          HH11      ARG  10   0.644 -13.853  10.064
   77   HH12  ARG  10          HH12      ARG  10   0.191 -12.905  11.433
   78   HH21  ARG  10          HH21      ARG  10  -1.796 -10.609   9.597
   79   HH22  ARG  10          HH22      ARG  10  -1.226 -11.038  11.162
   80    H    GLU  11           H        GLU  11   2.723 -16.714   4.962
   81    HA   GLU  11           HA       GLU  11   2.180 -17.802   2.383
   82    HB2  GLU  11           HB2      GLU  11   4.534 -18.332   4.258
   83    HB3  GLU  11           HB3      GLU  11   4.492 -18.721   2.553
   84    HG2  GLU  11           HG2      GLU  11   4.193 -15.860   3.581
   85    HG3  GLU  11           HG3      GLU  11   5.749 -16.614   3.282
   86    H    HIS  12           H        HIS  12   2.853 -19.376   5.534
   87    HA   HIS  12           HA       HIS  12   2.527 -22.042   4.614
   88    HB2  HIS  12           HB2      HIS  12   2.104 -20.901   7.414
   89    HB3  HIS  12           HB3      HIS  12   2.210 -22.614   7.026
   90    HD1  HIS  12           HD1      HIS  12   4.779 -23.054   5.500
   91    HD2  HIS  12           HD2      HIS  12   4.307 -20.081   8.441
   92    HE1  HIS  12           HE1      HIS  12   7.118 -22.491   6.323
   93    H    ARG  13           H        ARG  13   0.100 -19.870   6.261
   94    HA   ARG  13           HA       ARG  13  -1.869 -21.962   6.251
   95    HB2  ARG  13           HB2      ARG  13  -2.199 -18.944   6.540
   96    HB3  ARG  13           HB3      ARG  13  -3.505 -20.108   6.712
   97    HG2  ARG  13           HG2      ARG  13  -1.114 -19.746   8.532
   98    HG3  ARG  13           HG3      ARG  13  -2.818 -19.575   8.911
   99    HD2  ARG  13           HD2      ARG  13  -1.270 -22.134   8.382
  100    HD3  ARG  13           HD3      ARG  13  -1.957 -21.596   9.915
  101    HE   ARG  13           HE       ARG  13  -4.160 -21.728   8.281
  102   HH11  ARG  13          HH11      ARG  13  -1.648 -24.092   9.131
  103   HH12  ARG  13          HH12      ARG  13  -2.677 -25.460   8.935
  104   HH21  ARG  13          HH21      ARG  13  -5.507 -23.499   7.992
  105   HH22  ARG  13          HH22      ARG  13  -4.942 -25.123   8.280
  106    H    ILE  14           H        ILE  14  -1.309 -19.299   3.853
  107    HA   ILE  14           HA       ILE  14  -3.687 -19.915   2.461
  108    HB   ILE  14           HB       ILE  14  -1.961 -17.913   2.310
  109   HG12  ILE  14          HG12      ILE  14  -3.683 -18.781  -0.026
  110   HG13  ILE  14          HG13      ILE  14  -4.222 -17.976   1.458
  111   HG21  ILE  14          HG21      ILE  14  -1.176 -19.401  -0.223
  112   HG22  ILE  14          HG22      ILE  14  -0.625 -17.802   0.311
  113   HG23  ILE  14          HG23      ILE  14  -0.127 -19.221   1.210
  114   HD11  ILE  14          HD11      ILE  14  -4.047 -16.275  -0.186
  115   HD12  ILE  14          HD12      ILE  14  -2.682 -16.046   0.913
  116   HD13  ILE  14          HD13      ILE  14  -2.434 -16.793  -0.687
  117    H    GLU  15           H        GLU  15  -0.370 -21.188   2.126
  118    HA   GLU  15           HA       GLU  15  -0.825 -22.927  -0.050
  119    HB2  GLU  15           HB2      GLU  15   1.369 -22.202   0.668
  120    HB3  GLU  15           HB3      GLU  15   1.174 -22.966   2.250
  121    HG2  GLU  15           HG2      GLU  15   1.214 -25.175   1.280
  122    HG3  GLU  15           HG3      GLU  15   1.178 -24.515  -0.363
  123    H    THR  16           H        THR  16  -1.265 -23.454   3.500
  124    HA   THR  16           HA       THR  16  -1.812 -26.296   2.978
  125    HB   THR  16           HB       THR  16  -1.792 -26.449   5.475
  126    HG1  THR  16           HG1      THR  16  -0.776 -23.810   5.351
  127   HG21  THR  16          HG21      THR  16   0.636 -26.164   5.692
  128   HG22  THR  16          HG22      THR  16   0.219 -26.930   4.152
  129   HG23  THR  16          HG23      THR  16   0.686 -25.218   4.188
  130    H    GLU  17           H        GLU  17  -3.790 -23.563   3.012
  131    HA   GLU  17           HA       GLU  17  -6.095 -25.184   3.976
  132    HB2  GLU  17           HB2      GLU  17  -5.112 -23.270   5.372
  133    HB3  GLU  17           HB3      GLU  17  -5.787 -22.173   4.150
  134    HG2  GLU  17           HG2      GLU  17  -8.029 -23.106   4.579
  135    HG3  GLU  17           HG3      GLU  17  -7.331 -24.248   5.741
  136    H    ILE  18           H        ILE  18  -5.011 -22.942   1.371
  137    HA   ILE  18           HA       ILE  18  -7.791 -23.032   0.298
  138    HB   ILE  18           HB       ILE  18  -5.556 -21.041  -0.195
  139   HG12  ILE  18          HG12      ILE  18  -8.084 -20.976   1.518
  140   HG13  ILE  18          HG13      ILE  18  -6.411 -20.861   2.069
  141   HG21  ILE  18          HG21      ILE  18  -7.326 -19.716  -1.355
  142   HG22  ILE  18          HG22      ILE  18  -6.985 -21.216  -2.182
  143   HG23  ILE  18          HG23      ILE  18  -8.436 -21.100  -1.179
  144   HD11  ILE  18          HD11      ILE  18  -7.271 -18.677   2.207
  145   HD12  ILE  18          HD12      ILE  18  -6.245 -18.680   0.754
  146   HD13  ILE  18          HD13      ILE  18  -8.011 -18.756   0.603
  147    H    ILE  19           H        ILE  19  -4.424 -23.788  -0.623
  148    HA   ILE  19           HA       ILE  19  -5.522 -25.054  -3.093
  149    HB   ILE  19           HB       ILE  19  -3.440 -24.374  -4.230
  150   HG12  ILE  19          HG12      ILE  19  -2.241 -23.780  -1.954
  151   HG13  ILE  19          HG13      ILE  19  -1.820 -23.040  -3.487
  152   HG21  ILE  19          HG21      ILE  19  -5.267 -22.119  -3.335
  153   HG22  ILE  19          HG22      ILE  19  -4.236 -22.135  -4.780
  154   HG23  ILE  19          HG23      ILE  19  -5.580 -23.280  -4.620
  155   HD11  ILE  19          HD11      ILE  19  -1.931 -21.421  -1.598
  156   HD12  ILE  19          HD12      ILE  19  -2.981 -20.994  -2.954
  157   HD13  ILE  19          HD13      ILE  19  -3.679 -21.707  -1.488
  158    H    VAL  20           H        VAL  20  -4.505 -26.009  -0.266
  159    HA   VAL  20           HA       VAL  20  -2.268 -27.640  -0.683
  160    HB   VAL  20           HB       VAL  20  -3.426 -26.915   1.427
  161   HG11  VAL  20          HG11      VAL  20  -5.728 -27.639   0.991
  162   HG12  VAL  20          HG12      VAL  20  -5.206 -29.338   1.104
  163   HG13  VAL  20          HG13      VAL  20  -5.089 -28.274   2.509
  164   HG21  VAL  20          HG21      VAL  20  -2.677 -28.826   2.756
  165   HG22  VAL  20          HG22      VAL  20  -2.658 -29.851   1.304
  166   HG23  VAL  20          HG23      VAL  20  -1.532 -28.482   1.448
  167    H    ASP  21           H        ASP  21  -5.659 -28.209  -1.367
  168    HA   ASP  21           HA       ASP  21  -5.447 -31.056  -1.769
  169    HB2  ASP  21           HB2      ASP  21  -7.440 -29.836  -0.887
  170    HB3  ASP  21           HB3      ASP  21  -7.677 -29.109  -2.476
  171    H    ALA  22           H        ALA  22  -4.195 -28.739  -3.735
  172    HA   ALA  22           HA       ALA  22  -4.867 -30.116  -6.292
  173    HB1  ALA  22           HB1      ALA  22  -6.425 -28.307  -6.179
  174    HB2  ALA  22           HB2      ALA  22  -5.205 -27.188  -5.551
  175    HB3  ALA  22           HB3      ALA  22  -5.101 -27.763  -7.227
  176    H    GLU  23           H        GLU  23  -3.339 -29.643  -7.989
  177    HA   GLU  23           HA       GLU  23  -0.643 -28.810  -7.033
  178    HB2  GLU  23           HB2      GLU  23   0.288 -30.839  -7.955
  179    HB3  GLU  23           HB3      GLU  23  -0.950 -31.222  -6.764
  180    HG2  GLU  23           HG2      GLU  23  -2.578 -31.686  -8.591
  181    HG3  GLU  23           HG3      GLU  23  -1.349 -31.288  -9.792
  182    H    ASP  24           H        ASP  24  -2.952 -28.169  -9.377
  183    HA   ASP  24           HA       ASP  24  -0.887 -27.131 -11.252
  184    HB2  ASP  24           HB2      ASP  24  -1.800 -29.168 -12.279
  185    HB3  ASP  24           HB3      ASP  24  -3.452 -28.624 -11.959
  186    H    LYS  25           H        LYS  25  -1.548 -25.207 -12.299
  187    HA   LYS  25           HA       LYS  25  -2.808 -23.268 -10.857
  188    HB2  LYS  25           HB2      LYS  25  -2.749 -21.943 -12.879
  189    HB3  LYS  25           HB3      LYS  25  -1.345 -23.013 -12.884
  190    HG2  LYS  25           HG2      LYS  25  -3.172 -24.565 -14.182
  191    HG3  LYS  25           HG3      LYS  25  -3.774 -22.984 -14.639
  192    HD2  LYS  25           HD2      LYS  25  -1.640 -22.526 -15.758
  193    HD3  LYS  25           HD3      LYS  25  -0.946 -24.047 -15.145
  194    HE2  LYS  25           HE2      LYS  25  -3.492 -23.877 -16.814
  195    HE3  LYS  25           HE3      LYS  25  -1.903 -24.160 -17.536
  196    HZ1  LYS  25           HZ1      LYS  25  -1.837 -26.284 -16.630
  197    HZ2  LYS  25           HZ2      LYS  25  -2.900 -25.987 -15.424
  198    HZ3  LYS  25           HZ3      LYS  25  -3.460 -26.123 -16.936
  199    H    GLU  26           H        GLU  26  -4.528 -25.506 -13.126
  200    HA   GLU  26           HA       GLU  26  -6.967 -23.928 -13.073
  201    HB2  GLU  26           HB2      GLU  26  -6.292 -26.760 -13.993
  202    HB3  GLU  26           HB3      GLU  26  -7.888 -26.031 -14.175
  203    HG2  GLU  26           HG2      GLU  26  -7.061 -24.323 -15.654
  204    HG3  GLU  26           HG3      GLU  26  -5.384 -24.728 -15.310
  205    H    GLU  27           H        GLU  27  -5.797 -26.924 -11.504
  206    HA   GLU  27           HA       GLU  27  -8.186 -27.489 -10.016
  207    HB2  GLU  27           HB2      GLU  27  -5.283 -28.263  -9.503
  208    HB3  GLU  27           HB3      GLU  27  -6.691 -28.993  -8.730
  209    HG2  GLU  27           HG2      GLU  27  -6.047 -29.071 -11.712
  210    HG3  GLU  27           HG3      GLU  27  -5.771 -30.373 -10.565
  211    H    ARG  28           H        ARG  28  -5.260 -25.547  -9.367
  212    HA   ARG  28           HA       ARG  28  -5.994 -24.966  -6.621
  213    HB2  ARG  28           HB2      ARG  28  -3.944 -23.795  -8.559
  214    HB3  ARG  28           HB3      ARG  28  -4.152 -23.210  -6.899
  215    HG2  ARG  28           HG2      ARG  28  -3.830 -25.525  -6.054
  216    HG3  ARG  28           HG3      ARG  28  -3.488 -26.085  -7.686
  217    HD2  ARG  28           HD2      ARG  28  -1.451 -24.852  -7.787
  218    HD3  ARG  28           HD3      ARG  28  -1.833 -23.957  -6.293
  219    HE   ARG  28           HE       ARG  28  -1.962 -26.626  -5.564
  220   HH11  ARG  28          HH11      ARG  28   0.644 -24.562  -6.885
  221   HH12  ARG  28          HH12      ARG  28   1.891 -25.498  -6.124
  222   HH21  ARG  28          HH21      ARG  28  -0.393 -27.846  -4.694
  223   HH22  ARG  28          HH22      ARG  28   1.291 -27.421  -4.804
  224    H    ALA  29           H        ALA  29  -6.716 -23.412  -9.745
  225    HA   ALA  29           HA       ALA  29  -7.820 -21.020  -8.527
  226    HB1  ALA  29           HB1      ALA  29  -8.823 -20.629 -10.700
  227    HB2  ALA  29           HB2      ALA  29  -7.138 -21.122 -10.922
  228    HB3  ALA  29           HB3      ALA  29  -8.454 -22.285 -11.225
  229    H    MET  30           H        MET  30  -9.054 -24.310  -9.390
  230    HA   MET  30           HA       MET  30 -11.741 -23.757  -8.537
  231    HB2  MET  30           HB2      MET  30 -10.217 -26.371  -8.785
  232    HB3  MET  30           HB3      MET  30 -11.924 -26.247  -8.367
  233    HG2  MET  30           HG2      MET  30 -10.701 -25.136 -10.915
  234    HG3  MET  30           HG3      MET  30 -11.512 -26.692 -10.764
  235    HE1  MET  30           HE1      MET  30 -11.898 -22.802 -10.372
  236    HE2  MET  30           HE2      MET  30 -12.190 -23.133 -12.083
  237    HE3  MET  30           HE3      MET  30 -13.514 -22.557 -11.064
  238    H    GLY  31           H        GLY  31  -8.882 -24.986  -6.720
  239    HA2  GLY  31           HA2      GLY  31 -10.099 -25.382  -4.224
  240    HA3  GLY  31           HA3      GLY  31  -8.451 -24.767  -4.459
  241    H    TRP  32           H        TRP  32  -8.651 -22.315  -5.456
  242    HA   TRP  32           HA       TRP  32  -9.517 -20.590  -3.454
  243    HB2  TRP  32           HB2      TRP  32  -8.853 -20.239  -6.374
  244    HB3  TRP  32           HB3      TRP  32  -9.580 -18.911  -5.490
  245    HD1  TRP  32           HD1      TRP  32  -6.312 -20.835  -5.720
  246    HE1  TRP  32           HE1      TRP  32  -4.494 -19.570  -4.460
  247    HE3  TRP  32           HE3      TRP  32  -9.240 -17.298  -3.473
  248    HZ2  TRP  32           HZ2      TRP  32  -4.361 -17.432  -2.496
  249    HZ3  TRP  32           HZ3      TRP  32  -8.240 -15.673  -1.896
  250    HH2  TRP  32           HH2      TRP  32  -5.815 -15.708  -1.428
  251    H    TYR  33           H        TYR  33 -11.236 -21.469  -6.528
  252    HA   TYR  33           HA       TYR  33 -13.484 -19.842  -6.157
  253    HB2  TYR  33           HB2      TYR  33 -12.969 -20.988  -8.262
  254    HB3  TYR  33           HB3      TYR  33 -13.251 -22.553  -7.515
  255    HD1  TYR  33           HD2      TYR  33 -15.563 -23.235  -6.776
  256    HD2  TYR  33           HD1      TYR  33 -14.819 -19.688  -9.106
  257    HE1  TYR  33           HE2      TYR  33 -17.966 -23.094  -7.301
  258    HE2  TYR  33           HE1      TYR  33 -17.189 -19.639  -9.791
  259    HH   TYR  33           HH       TYR  33 -19.616 -21.982  -8.533
  260    H    TYR  34           H        TYR  34 -12.981 -23.253  -5.037
  261    HA   TYR  34           HA       TYR  34 -15.636 -23.624  -4.199
  262    HB2  TYR  34           HB2      TYR  34 -13.097 -24.930  -3.143
  263    HB3  TYR  34           HB3      TYR  34 -14.725 -25.481  -2.789
  264    HD1  TYR  34           HD2      TYR  34 -16.066 -25.348  -5.483
  265    HD2  TYR  34           HD1      TYR  34 -12.154 -26.748  -4.302
  266    HE1  TYR  34           HE2      TYR  34 -16.013 -26.835  -7.445
  267    HE2  TYR  34           HE1      TYR  34 -12.107 -28.265  -6.254
  268    HH   TYR  34           HH       TYR  34 -14.801 -28.438  -8.631
  269    H    TYR  35           H        TYR  35 -12.767 -22.633  -2.144
  270    HA   TYR  35           HA       TYR  35 -14.563 -22.423   0.124
  271    HB2  TYR  35           HB2      TYR  35 -12.799 -21.996   1.418
  272    HB3  TYR  35           HB3      TYR  35 -11.898 -22.657   0.064
  273    HD1  TYR  35           HD1      TYR  35 -10.802 -21.069  -1.561
  274    HD2  TYR  35           HD2      TYR  35 -12.661 -19.670   2.066
  275    HE1  TYR  35           HE1      TYR  35  -9.806 -18.851  -1.919
  276    HE2  TYR  35           HE2      TYR  35 -11.668 -17.433   1.728
  277    HH   TYR  35           HH       TYR  35 -10.392 -16.083   0.327
  278    H    LEU  36           H        LEU  36 -13.387 -20.081  -2.342
  279    HA   LEU  36           HA       LEU  36 -14.249 -17.764  -0.981
  280    HB2  LEU  36           HB2      LEU  36 -12.676 -17.721  -2.859
  281    HB3  LEU  36           HB3      LEU  36 -13.935 -18.296  -3.961
  282    HG   LEU  36           HG       LEU  36 -15.213 -16.207  -3.622
  283   HD11  LEU  36          HD11      LEU  36 -14.535 -15.551  -1.353
  284   HD12  LEU  36          HD12      LEU  36 -12.846 -15.361  -1.884
  285   HD13  LEU  36          HD13      LEU  36 -14.108 -14.267  -2.486
  286   HD21  LEU  36          HD21      LEU  36 -13.707 -14.749  -4.864
  287   HD22  LEU  36          HD22      LEU  36 -12.303 -15.728  -4.379
  288   HD23  LEU  36          HD23      LEU  36 -13.556 -16.410  -5.438
  289    H    ASP  37           H        ASP  37 -15.939 -19.728  -3.521
  290    HA   ASP  37           HA       ASP  37 -18.313 -18.173  -3.620
  291    HB2  ASP  37           HB2      ASP  37 -17.731 -19.887  -5.293
  292    HB3  ASP  37           HB3      ASP  37 -17.888 -21.155  -4.075
  293    H    ASP  38           H        ASP  38 -17.382 -20.921  -1.513
  294    HA   ASP  38           HA       ASP  38 -19.865 -21.086  -0.098
  295    HB2  ASP  38           HB2      ASP  38 -18.205 -22.887  -0.124
  296    HB3  ASP  38           HB3      ASP  38 -17.051 -21.870   0.739
  297    H    THR  39           H        THR  39 -17.205 -18.792   0.187
  298    HA   THR  39           HA       THR  39 -17.978 -18.021   2.937
  299    HB   THR  39           HB       THR  39 -15.696 -17.093   1.144
  300    HG1  THR  39           HG1      THR  39 -15.407 -19.179   1.693
  301   HG21  THR  39          HG21      THR  39 -16.069 -15.358   2.763
  302   HG22  THR  39          HG22      THR  39 -16.352 -16.521   4.065
  303   HG23  THR  39          HG23      THR  39 -14.723 -16.325   3.378
  304    H    LEU  40           H        LEU  40 -18.023 -16.709  -0.402
  305    HA   LEU  40           HA       LEU  40 -18.524 -14.007   0.250
  306    HB2  LEU  40           HB2      LEU  40 -19.333 -15.673  -2.158
  307    HB3  LEU  40           HB3      LEU  40 -19.661 -13.947  -2.047
  308    HG   LEU  40           HG       LEU  40 -16.887 -15.177  -2.036
  309   HD11  LEU  40          HD11      LEU  40 -18.047 -15.442  -4.191
  310   HD12  LEU  40          HD12      LEU  40 -18.403 -13.702  -4.227
  311   HD13  LEU  40          HD13      LEU  40 -16.725 -14.277  -4.323
  312   HD21  LEU  40          HD21      LEU  40 -17.754 -12.293  -2.000
  313   HD22  LEU  40          HD22      LEU  40 -16.645 -13.158  -0.885
  314   HD23  LEU  40          HD23      LEU  40 -16.150 -12.828  -2.539
  315    H    GLU  41           H        GLU  41 -20.137 -13.104   1.296
  316    HA   GLU  41           HA       GLU  41 -22.749 -14.275   1.620
  317    HB2  GLU  41           HB2      GLU  41 -21.457 -12.964   3.324
  318    HB3  GLU  41           HB3      GLU  41 -21.591 -11.532   2.299
  319    HG2  GLU  41           HG2      GLU  41 -23.172 -11.383   4.041
  320    HG3  GLU  41           HG3      GLU  41 -24.062 -11.653   2.548
  321    H    PHE  42           H        PHE  42 -22.471 -14.318  -0.984
  322    HA   PHE  42           HA       PHE  42 -23.214 -11.876  -2.341
  323    HB2  PHE  42           HB2      PHE  42 -23.264 -13.151  -4.355
  324    HB3  PHE  42           HB3      PHE  42 -21.859 -13.622  -3.434
  325    HD1  PHE  42           HD2      PHE  42 -25.266 -14.669  -4.536
  326    HD2  PHE  42           HD1      PHE  42 -21.554 -15.943  -2.734
  327    HE1  PHE  42           HE2      PHE  42 -25.951 -17.038  -4.783
  328    HE2  PHE  42           HE1      PHE  42 -22.246 -18.301  -2.982
  329    HZ   PHE  42           HZ       PHE  42 -24.446 -18.862  -4.002
  330    HA   PRO  43           HA       PRO  43 -24.469 -11.272  -4.273
  331    HB2  PRO  43           HB2      PRO  43 -26.443  -9.450  -4.691
  332    HB3  PRO  43           HB3      PRO  43 -26.472 -11.085  -5.419
  333    HG2  PRO  43           HG2      PRO  43 -27.895 -10.148  -2.912
  334    HG3  PRO  43           HG3      PRO  43 -28.567 -11.084  -4.284
  335    HD2  PRO  43           HD2      PRO  43 -27.693 -12.277  -1.975
  336    HD3  PRO  43           HD3      PRO  43 -27.514 -13.066  -3.569
  337    H    PHE  44           H        PHE  44 -23.530  -9.187  -4.070
  338    HA   PHE  44           HA       PHE  44 -24.014  -7.574  -1.657
  339    HB2  PHE  44           HB2      PHE  44 -21.760  -7.559  -0.928
  340    HB3  PHE  44           HB3      PHE  44 -22.322  -9.213  -0.931
  341    HD1  PHE  44           HD1      PHE  44 -21.502 -10.804  -2.784
  342    HD2  PHE  44           HD2      PHE  44 -19.764  -6.933  -2.066
  343    HE1  PHE  44           HE1      PHE  44 -19.448 -11.512  -3.966
  344    HE2  PHE  44           HE2      PHE  44 -17.737  -7.617  -3.308
  345    HZ   PHE  44           HZ       PHE  44 -17.559  -9.916  -4.240
  346    H    MET  45           H        MET  45 -21.950  -5.694  -2.036
  347    HA   MET  45           HA       MET  45 -22.154  -5.000  -4.912
  348    HB2  MET  45           HB2      MET  45 -22.871  -2.836  -4.570
  349    HB3  MET  45           HB3      MET  45 -23.956  -3.813  -3.602
  350    HG2  MET  45           HG2      MET  45 -23.147  -2.991  -1.592
  351    HG3  MET  45           HG3      MET  45 -21.544  -2.647  -2.218
  352    HE1  MET  45           HE1      MET  45 -20.777  -0.615  -3.557
  353    HE2  MET  45           HE2      MET  45 -21.977  -0.815  -4.842
  354    HE3  MET  45           HE3      MET  45 -21.813   0.746  -4.014
  355    H    GLY  46           H        GLY  46 -20.733  -3.280  -5.580
  356    HA2  GLY  46           HA2      GLY  46 -18.391  -2.674  -3.923
  357    HA3  GLY  46           HA3      GLY  46 -18.088  -3.849  -5.219
  358    H    LYS  47           H        LYS  47 -16.645  -1.837  -5.458
  359    HA   LYS  47           HA       LYS  47 -17.860  -0.244  -7.676
  360    HB2  LYS  47           HB2      LYS  47 -16.918   1.044  -5.619
  361    HB3  LYS  47           HB3      LYS  47 -15.336   0.479  -6.135
  362    HG2  LYS  47           HG2      LYS  47 -15.496   2.597  -7.144
  363    HG3  LYS  47           HG3      LYS  47 -15.964   1.513  -8.457
  364    HD2  LYS  47           HD2      LYS  47 -17.563   3.244  -8.530
  365    HD3  LYS  47           HD3      LYS  47 -18.396   1.916  -7.720
  366    HE2  LYS  47           HE2      LYS  47 -18.076   2.935  -5.542
  367    HE3  LYS  47           HE3      LYS  47 -17.019   4.180  -6.223
  368    HZ1  LYS  47           HZ1      LYS  47 -18.875   5.113  -7.384
  369    HZ2  LYS  47           HZ2      LYS  47 -19.876   3.890  -6.983
  370    HZ3  LYS  47           HZ3      LYS  47 -19.332   4.927  -5.832
  371    H    TRP  48           H        TRP  48 -17.198  -0.960  -9.600
  372    HA   TRP  48           HA       TRP  48 -14.895  -2.771  -9.904
  373    HB2  TRP  48           HB2      TRP  48 -17.038  -2.972 -11.215
  374    HB3  TRP  48           HB3      TRP  48 -16.672  -1.443 -11.988
  375    HD1  TRP  48           HD1      TRP  48 -13.403  -2.780 -12.086
  376    HE1  TRP  48           HE1      TRP  48 -12.877  -4.179 -14.102
  377    HE3  TRP  48           HE3      TRP  48 -18.191  -3.577 -13.735
  378    HZ2  TRP  48           HZ2      TRP  48 -14.350  -5.617 -16.162
  379    HZ3  TRP  48           HZ3      TRP  48 -18.586  -4.978 -15.743
  380    HH2  TRP  48           HH2      TRP  48 -16.664  -6.014 -16.945
  381    H    LYS  49           H        LYS  49 -12.987  -1.786  -9.576
  382    HA   LYS  49           HA       LYS  49 -12.551   1.062 -10.117
  383    HB2  LYS  49           HB2      LYS  49 -10.635  -1.095  -9.091
  384    HB3  LYS  49           HB3      LYS  49 -10.408   0.643  -8.966
  385    HG2  LYS  49           HG2      LYS  49 -12.529  -1.013  -7.524
  386    HG3  LYS  49           HG3      LYS  49 -11.021  -0.480  -6.829
  387    HD2  LYS  49           HD2      LYS  49 -13.205   1.398  -7.829
  388    HD3  LYS  49           HD3      LYS  49 -13.030   0.870  -6.162
  389    HE2  LYS  49           HE2      LYS  49 -10.957   2.490  -7.704
  390    HE3  LYS  49           HE3      LYS  49 -12.111   3.121  -6.526
  391    HZ1  LYS  49           HZ1      LYS  49 -10.072   2.785  -5.408
  392    HZ2  LYS  49           HZ2      LYS  49 -11.071   1.601  -4.863
  393    HZ3  LYS  49           HZ3      LYS  49  -9.894   1.256  -5.946
  394    H    LYS  50           H        LYS  50 -13.121   0.201 -12.484
  395    HA   LYS  50           HA       LYS  50 -11.479  -1.677 -13.825
  396    HB2  LYS  50           HB2      LYS  50 -13.771  -1.010 -14.497
  397    HB3  LYS  50           HB3      LYS  50 -13.168   0.575 -15.003
  398    HG2  LYS  50           HG2      LYS  50 -11.717  -0.467 -16.682
  399    HG3  LYS  50           HG3      LYS  50 -12.175  -2.084 -16.142
  400    HD2  LYS  50           HD2      LYS  50 -14.091  -0.024 -17.340
  401    HD3  LYS  50           HD3      LYS  50 -13.316  -1.335 -18.243
  402    HE2  LYS  50           HE2      LYS  50 -14.390  -3.003 -16.734
  403    HE3  LYS  50           HE3      LYS  50 -15.229  -1.697 -15.890
  404    HZ1  LYS  50           HZ1      LYS  50 -15.575  -2.387 -18.753
  405    HZ2  LYS  50           HZ2      LYS  50 -16.635  -2.711 -17.558
  406    HZ3  LYS  50           HZ3      LYS  50 -16.345  -1.163 -17.989
  407    H    LYS  51           H        LYS  51  -9.373  -1.513 -14.347
  408    HA   LYS  51           HA       LYS  51  -8.131   1.143 -14.536
  409    HB2  LYS  51           HB2      LYS  51  -7.140  -0.944 -13.400
  410    HB3  LYS  51           HB3      LYS  51  -6.760  -1.524 -15.030
  411    HG2  LYS  51           HG2      LYS  51  -5.364   0.475 -15.427
  412    HG3  LYS  51           HG3      LYS  51  -5.876   1.170 -13.876
  413    HD2  LYS  51           HD2      LYS  51  -4.790  -0.705 -12.676
  414    HD3  LYS  51           HD3      LYS  51  -4.273  -1.400 -14.231
  415    HE2  LYS  51           HE2      LYS  51  -2.992   0.663 -14.731
  416    HE3  LYS  51           HE3      LYS  51  -3.526   1.380 -13.206
  417    HZ1  LYS  51           HZ1      LYS  51  -2.329  -0.384 -12.037
  418    HZ2  LYS  51           HZ2      LYS  51  -1.834  -1.045 -13.448
  419    HZ3  LYS  51           HZ3      LYS  51  -1.313   0.434 -13.010
  420    H    SER  52           H        SER  52  -9.497  -1.156 -16.776
  421    HA   SER  52           HA       SER  52  -8.021  -0.646 -19.075
  422    HB2  SER  52           HB2      SER  52 -11.016  -1.131 -19.005
  423    HB3  SER  52           HB3      SER  52  -9.842  -1.650 -20.225
  424    HG   SER  52           HG       SER  52 -10.389  -3.366 -18.841
  425    H    ARG  53           H        ARG  53  -7.610   1.265 -20.023
  426    HA   ARG  53           HA       ARG  53  -9.719   2.911 -21.031
  427    HB2  ARG  53           HB2      ARG  53  -8.757   3.741 -18.506
  428    HB3  ARG  53           HB3      ARG  53  -7.781   4.684 -19.624
  429    HG2  ARG  53           HG2      ARG  53  -9.880   5.493 -20.737
  430    HG3  ARG  53           HG3      ARG  53 -10.820   4.512 -19.606
  431    HD2  ARG  53           HD2      ARG  53 -10.888   6.710 -18.777
  432    HD3  ARG  53           HD3      ARG  53  -9.790   5.823 -17.705
  433    HE   ARG  53           HE       ARG  53  -8.058   6.939 -19.495
  434   HH11  ARG  53          HH11      ARG  53 -10.547   8.287 -17.329
  435   HH12  ARG  53          HH12      ARG  53  -9.919   9.902 -17.423
  436   HH21  ARG  53          HH21      ARG  53  -7.162   8.990 -19.481
  437   HH22  ARG  53          HH22      ARG  53  -7.913  10.311 -18.646
  438    H    LYS  54           H        LYS  54  -8.410   4.829 -22.321
  439    HA   LYS  54           HA       LYS  54  -6.377   3.604 -23.949
  440    HB2  LYS  54           HB2      LYS  54  -7.797   5.495 -24.701
  441    HB3  LYS  54           HB3      LYS  54  -7.023   6.561 -23.517
  442    HG2  LYS  54           HG2      LYS  54  -4.839   6.245 -24.646
  443    HG3  LYS  54           HG3      LYS  54  -5.593   5.122 -25.796
  444    HD2  LYS  54           HD2      LYS  54  -7.057   6.959 -26.623
  445    HD3  LYS  54           HD3      LYS  54  -6.357   8.053 -25.426
  446    HE2  LYS  54           HE2      LYS  54  -5.313   8.528 -27.525
  447    HE3  LYS  54           HE3      LYS  54  -4.114   7.773 -26.476
  448    HZ1  LYS  54           HZ1      LYS  54  -5.605   6.391 -28.638
  449    HZ2  LYS  54           HZ2      LYS  54  -4.056   6.880 -28.723
  450    HZ3  LYS  54           HZ3      LYS  54  -4.467   5.694 -27.689
  451    H    THR  55           H        THR  55  -6.239   6.000 -21.260
  452    HA   THR  55           HA       THR  55  -3.369   5.646 -20.836
  453    HB   THR  55           HB       THR  55  -3.983   7.225 -18.904
  454    HG1  THR  55           HG1      THR  55  -5.985   7.460 -18.533
  455   HG21  THR  55          HG21      THR  55  -4.303   9.179 -20.332
  456   HG22  THR  55          HG22      THR  55  -3.128   8.082 -21.076
  457   HG23  THR  55          HG23      THR  55  -4.793   8.155 -21.698
  458    H    SER  56           H        SER  56  -2.784   5.180 -18.382
  459    HA   SER  56           HA       SER  56  -3.901   2.629 -17.611
  460    HB2  SER  56           HB2      SER  56  -1.985   4.442 -16.092
  461    HB3  SER  56           HB3      SER  56  -2.182   2.690 -15.911
  462    HG   SER  56           HG       SER  56  -0.361   3.247 -17.197
  463    H    THR  57           H        THR  57  -5.373   5.548 -17.249
  464    HA   THR  57           HA       THR  57  -5.660   5.989 -14.522
  465    HB   THR  57           HB       THR  57  -7.749   6.679 -16.590
  466    HG1  THR  57           HG1      THR  57  -5.238   7.967 -16.303
  467   HG21  THR  57          HG21      THR  57  -8.152   7.564 -14.339
  468   HG22  THR  57          HG22      THR  57  -6.528   8.284 -14.305
  469   HG23  THR  57          HG23      THR  57  -7.748   8.875 -15.456
  470    H    ILE  58           H        ILE  58  -6.984   5.214 -12.956
  471    HA   ILE  58           HA       ILE  58  -8.756   2.953 -13.359
  472    HB   ILE  58           HB       ILE  58  -8.253   4.868 -11.060
  473   HG12  ILE  58          HG12      ILE  58  -6.347   3.330 -11.686
  474   HG13  ILE  58          HG13      ILE  58  -6.922   3.198 -10.036
  475   HG21  ILE  58          HG21      ILE  58 -10.015   2.394 -11.068
  476   HG22  ILE  58          HG22      ILE  58  -9.402   3.181  -9.594
  477   HG23  ILE  58          HG23      ILE  58 -10.477   4.061 -10.681
  478   HD11  ILE  58          HD11      ILE  58  -7.745   1.266 -12.238
  479   HD12  ILE  58          HD12      ILE  58  -6.383   1.012 -11.131
  480   HD13  ILE  58          HD13      ILE  58  -8.030   1.098 -10.492
  481    H    GLU  59           H        GLU  59 -10.945   2.951 -13.480
  482    HA   GLU  59           HA       GLU  59 -12.491   5.481 -13.364
  483    HB2  GLU  59           HB2      GLU  59 -12.787   3.138 -15.308
  484    HB3  GLU  59           HB3      GLU  59 -14.031   4.351 -15.054
  485    HG2  GLU  59           HG2      GLU  59 -11.223   4.868 -16.119
  486    HG3  GLU  59           HG3      GLU  59 -12.695   4.798 -17.076
  487    H    GLU  60           H        GLU  60 -14.683   5.036 -12.506
  488    HA   GLU  60           HA       GLU  60 -14.687   2.654 -10.696
  489    HB2  GLU  60           HB2      GLU  60 -15.198   5.587 -10.060
  490    HB3  GLU  60           HB3      GLU  60 -15.536   4.248  -8.964
  491    HG2  GLU  60           HG2      GLU  60 -13.136   3.600  -9.008
  492    HG3  GLU  60           HG3      GLU  60 -12.789   4.973 -10.062
  493    H    LYS  61           H        LYS  61 -16.415   1.451 -11.243
  494    HA   LYS  61           HA       LYS  61 -19.012   2.834 -11.878
  495    HB2  LYS  61           HB2      LYS  61 -18.052   1.693 -13.815
  496    HB3  LYS  61           HB3      LYS  61 -17.826   0.211 -12.872
  497    HG2  LYS  61           HG2      LYS  61 -20.216  -0.099 -12.633
  498    HG3  LYS  61           HG3      LYS  61 -20.551   1.430 -13.438
  499    HD2  LYS  61           HD2      LYS  61 -18.946  -0.784 -14.794
  500    HD3  LYS  61           HD3      LYS  61 -20.693  -0.846 -14.778
  501    HE2  LYS  61           HE2      LYS  61 -19.038   1.440 -15.936
  502    HE3  LYS  61           HE3      LYS  61 -19.793   0.139 -16.864
  503    HZ1  LYS  61           HZ1      LYS  61 -21.170   2.112 -16.884
  504    HZ2  LYS  61           HZ2      LYS  61 -21.970   0.920 -16.081
  505    HZ3  LYS  61           HZ3      LYS  61 -21.271   2.127 -15.247
  506    H    THR  62           H        THR  62 -20.542   2.527 -10.275
  507    HA   THR  62           HA       THR  62 -20.098   0.652  -8.146
  508    HB   THR  62           HB       THR  62 -22.723   2.015  -8.840
  509    HG1  THR  62           HG1      THR  62 -21.940   3.882  -8.171
  510   HG21  THR  62          HG21      THR  62 -22.639   0.483  -6.856
  511   HG22  THR  62          HG22      THR  62 -21.315   1.460  -6.186
  512   HG23  THR  62          HG23      THR  62 -22.936   2.167  -6.391
  513    H    VAL  63           H        VAL  63 -20.757  -1.434  -7.966
  514    HA   VAL  63           HA       VAL  63 -22.685  -2.511  -9.971
  515    HB   VAL  63           HB       VAL  63 -21.176  -4.445 -10.292
  516   HG11  VAL  63          HG11      VAL  63 -21.247  -2.572 -11.940
  517   HG12  VAL  63          HG12      VAL  63 -19.822  -1.859 -11.153
  518   HG13  VAL  63          HG13      VAL  63 -19.709  -3.448 -11.919
  519   HG21  VAL  63          HG21      VAL  63 -19.004  -2.764  -8.962
  520   HG22  VAL  63          HG22      VAL  63 -19.723  -4.240  -8.283
  521   HG23  VAL  63          HG23      VAL  63 -18.785  -4.322  -9.779
  522    H    GLU  64           H        GLU  64 -23.822  -4.349  -9.365
  523    HA   GLU  64           HA       GLU  64 -23.704  -5.080  -6.470
  524    HB2  GLU  64           HB2      GLU  64 -25.917  -4.357  -7.394
  525    HB3  GLU  64           HB3      GLU  64 -25.866  -5.716  -8.522
  526    HG2  GLU  64           HG2      GLU  64 -25.793  -7.293  -6.605
  527    HG3  GLU  64           HG3      GLU  64 -25.730  -5.932  -5.483
  528    H    VAL  65           H        VAL  65 -22.513  -6.897  -6.123
  529    HA   VAL  65           HA       VAL  65 -21.561  -8.480  -8.424
  530    HB   VAL  65           HB       VAL  65 -20.741  -8.655  -5.492
  531   HG11  VAL  65          HG11      VAL  65 -18.713  -9.739  -6.509
  532   HG12  VAL  65          HG12      VAL  65 -20.195 -10.637  -6.867
  533   HG13  VAL  65          HG13      VAL  65 -19.469  -9.589  -8.106
  534   HG21  VAL  65          HG21      VAL  65 -19.457  -7.023  -7.730
  535   HG22  VAL  65          HG22      VAL  65 -20.179  -6.385  -6.236
  536   HG23  VAL  65          HG23      VAL  65 -18.713  -7.358  -6.152
  537    H    LEU  66           H        LEU  66 -22.889 -10.079  -9.000
  538    HA   LEU  66           HA       LEU  66 -25.139 -10.763  -7.297
  539    HB2  LEU  66           HB2      LEU  66 -24.319 -11.932  -9.981
  540    HB3  LEU  66           HB3      LEU  66 -25.888 -12.091  -9.202
  541    HG   LEU  66           HG       LEU  66 -24.661  -9.542 -10.340
  542   HD11  LEU  66          HD11      LEU  66 -25.551 -11.150 -11.988
  543   HD12  LEU  66          HD12      LEU  66 -27.117 -11.151 -11.153
  544   HD13  LEU  66          HD13      LEU  66 -26.520  -9.669 -11.927
  545   HD21  LEU  66          HD21      LEU  66 -25.942  -8.901  -8.365
  546   HD22  LEU  66          HD22      LEU  66 -26.847  -8.464  -9.810
  547   HD23  LEU  66          HD23      LEU  66 -27.317  -9.905  -8.882
  548    H    GLY  67           H        GLY  67 -22.073 -12.337  -8.191
  549    HA2  GLY  67           HA2      GLY  67 -21.819 -14.163  -6.188
  550    HA3  GLY  67           HA3      GLY  67 -22.851 -14.983  -7.384
  551    H    MET  68           H        MET  68 -20.615 -16.225  -7.214
  552    HA   MET  68           HA       MET  68 -18.414 -15.249  -8.828
  553    HB2  MET  68           HB2      MET  68 -19.268 -18.074  -8.052
  554    HB3  MET  68           HB3      MET  68 -17.798 -17.682  -8.937
  555    HG2  MET  68           HG2      MET  68 -18.464 -16.724  -6.136
  556    HG3  MET  68           HG3      MET  68 -17.372 -18.041  -6.542
  557    HE1  MET  68           HE1      MET  68 -15.675 -16.983  -9.007
  558    HE2  MET  68           HE2      MET  68 -14.308 -16.259  -8.152
  559    HE3  MET  68           HE3      MET  68 -14.987 -17.795  -7.576
  560    H    ALA  69           H        ALA  69 -17.859 -15.823 -10.933
  561    HA   ALA  69           HA       ALA  69 -19.999 -16.164 -12.883
  562    HB1  ALA  69           HB1      ALA  69 -16.970 -16.319 -13.153
  563    HB2  ALA  69           HB2      ALA  69 -18.119 -16.049 -14.472
  564    HB3  ALA  69           HB3      ALA  69 -17.915 -14.809 -13.237
  565    HA   PRO  70           HA       PRO  70 -19.906 -20.639 -13.412
  566    HB2  PRO  70           HB2      PRO  70 -18.626 -20.203 -16.117
  567    HB3  PRO  70           HB3      PRO  70 -19.959 -21.315 -15.669
  568    HG2  PRO  70           HG2      PRO  70 -20.528 -18.960 -16.870
  569    HG3  PRO  70           HG3      PRO  70 -21.504 -19.490 -15.459
  570    HD2  PRO  70           HD2      PRO  70 -19.220 -17.521 -15.541
  571    HD3  PRO  70           HD3      PRO  70 -20.787 -17.380 -14.685
  572    H    ASP  71           H        ASP  71 -18.494 -22.357 -13.052
  573    HA   ASP  71           HA       ASP  71 -15.935 -21.801 -12.057
  574    HB2  ASP  71           HB2      ASP  71 -15.643 -24.097 -11.751
  575    HB3  ASP  71           HB3      ASP  71 -17.367 -23.825 -11.532
  576    H    ASP  72           H        ASP  72 -16.953 -22.595 -15.339
  577    HA   ASP  72           HA       ASP  72 -14.404 -23.340 -16.401
  578    HB2  ASP  72           HB2      ASP  72 -16.529 -23.834 -17.526
  579    HB3  ASP  72           HB3      ASP  72 -16.838 -22.109 -17.749
  580    H    GLU  73           H        GLU  73 -15.928 -20.159 -15.842
  581    HA   GLU  73           HA       GLU  73 -13.863 -18.655 -17.296
  582    HB2  GLU  73           HB2      GLU  73 -15.827 -17.743 -15.136
  583    HB3  GLU  73           HB3      GLU  73 -14.828 -16.703 -16.132
  584    HG2  GLU  73           HG2      GLU  73 -17.132 -18.459 -17.065
  585    HG3  GLU  73           HG3      GLU  73 -17.132 -16.708 -16.918
  586    H    CYS  74           H        CYS  74 -14.596 -19.771 -14.000
  587    HA   CYS  74           HA       CYS  74 -12.494 -18.250 -12.808
  588    HB2  CYS  74           HB2      CYS  74 -14.229 -20.436 -11.622
  589    HB3  CYS  74           HB3      CYS  74 -13.204 -19.299 -10.725
  590    HG   CYS  74           HG       CYS  74 -15.851 -18.747 -12.637
  591    H    LEU  75           H        LEU  75 -11.750 -20.518 -14.795
  592    HA   LEU  75           HA       LEU  75 -10.144 -22.356 -13.183
  593    HB2  LEU  75           HB2      LEU  75 -10.344 -21.826 -16.175
  594    HB3  LEU  75           HB3      LEU  75  -9.225 -23.000 -15.496
  595    HG   LEU  75           HG       LEU  75 -12.234 -23.144 -15.131
  596   HD11  LEU  75          HD11      LEU  75 -12.171 -24.958 -16.784
  597   HD12  LEU  75          HD12      LEU  75 -11.613 -23.434 -17.487
  598   HD13  LEU  75          HD13      LEU  75 -10.431 -24.682 -17.038
  599   HD21  LEU  75          HD21      LEU  75 -11.856 -25.429 -14.363
  600   HD22  LEU  75          HD22      LEU  75 -10.103 -25.268 -14.619
  601   HD23  LEU  75          HD23      LEU  75 -10.914 -24.348 -13.346
  602    H    LYS  76           H        LYS  76  -9.691 -19.106 -14.075
  603    HA   LYS  76           HA       LYS  76  -6.777 -19.366 -13.561
  604    HB2  LYS  76           HB2      LYS  76  -6.242 -17.889 -15.420
  605    HB3  LYS  76           HB3      LYS  76  -7.011 -19.377 -15.970
  606    HG2  LYS  76           HG2      LYS  76  -9.172 -18.140 -16.261
  607    HG3  LYS  76           HG3      LYS  76  -8.391 -16.663 -15.687
  608    HD2  LYS  76           HD2      LYS  76  -8.515 -16.579 -18.076
  609    HD3  LYS  76           HD3      LYS  76  -6.816 -16.749 -17.608
  610    HE2  LYS  76           HE2      LYS  76  -6.922 -19.183 -18.118
  611    HE3  LYS  76           HE3      LYS  76  -8.634 -19.027 -18.533
  612    HZ1  LYS  76           HZ1      LYS  76  -6.404 -17.707 -19.974
  613    HZ2  LYS  76           HZ2      LYS  76  -7.236 -19.004 -20.499
  614    HZ3  LYS  76           HZ3      LYS  76  -7.987 -17.567 -20.361
  615    H    ASP  77           H        ASP  77  -9.703 -17.388 -13.293
  616    HA   ASP  77           HA       ASP  77  -8.310 -15.593 -11.410
  617    HB2  ASP  77           HB2      ASP  77  -7.977 -14.476 -13.581
  618    HB3  ASP  77           HB3      ASP  77  -9.686 -14.652 -13.964
  619    H    MET  78           H        MET  78  -9.905 -14.612  -9.973
  620    HA   MET  78           HA       MET  78 -12.367 -16.179  -9.778
  621    HB2  MET  78           HB2      MET  78 -11.186 -13.951  -8.075
  622    HB3  MET  78           HB3      MET  78 -12.698 -14.776  -7.712
  623    HG2  MET  78           HG2      MET  78  -9.950 -16.075  -7.877
  624    HG3  MET  78           HG3      MET  78 -10.841 -15.686  -6.418
  625    HE1  MET  78           HE1      MET  78  -9.734 -18.494  -8.553
  626    HE2  MET  78           HE2      MET  78 -11.162 -19.480  -8.926
  627    HE3  MET  78           HE3      MET  78 -10.935 -17.923  -9.733
  628    H    TYR  79           H        TYR  79 -13.426 -15.588 -11.737
  629    HA   TYR  79           HA       TYR  79 -14.216 -12.808 -12.188
  630    HB2  TYR  79           HB2      TYR  79 -14.882 -15.472 -13.483
  631    HB3  TYR  79           HB3      TYR  79 -15.731 -13.994 -13.902
  632    HD1  TYR  79           HD1      TYR  79 -14.534 -12.055 -14.924
  633    HD2  TYR  79           HD2      TYR  79 -12.659 -15.901 -14.371
  634    HE1  TYR  79           HE1      TYR  79 -12.858 -11.482 -16.652
  635    HE2  TYR  79           HE2      TYR  79 -10.976 -15.340 -16.087
  636    HH   TYR  79           HH       TYR  79 -10.214 -13.727 -17.601
  637    H    VAL  80           H        VAL  80 -16.300 -11.970 -11.889
  638    HA   VAL  80           HA       VAL  80 -18.280 -13.612 -10.379
  639    HB   VAL  80           HB       VAL  80 -18.756 -11.523  -9.088
  640   HG11  VAL  80          HG11      VAL  80 -16.000 -12.743  -8.663
  641   HG12  VAL  80          HG12      VAL  80 -16.935 -11.823  -7.463
  642   HG13  VAL  80          HG13      VAL  80 -17.549 -13.365  -8.056
  643   HG21  VAL  80          HG21      VAL  80 -17.054  -9.791  -8.834
  644   HG22  VAL  80          HG22      VAL  80 -16.017 -10.566 -10.041
  645   HG23  VAL  80          HG23      VAL  80 -17.576  -9.858 -10.521
  646    H    GLU  81           H        GLU  81 -20.449 -13.062 -10.741
  647    HA   GLU  81           HA       GLU  81 -21.025 -11.659 -13.302
  648    HB2  GLU  81           HB2      GLU  81 -22.801 -13.090 -11.271
  649    HB3  GLU  81           HB3      GLU  81 -23.390 -12.246 -12.716
  650    HG2  GLU  81           HG2      GLU  81 -21.929 -13.764 -14.112
  651    HG3  GLU  81           HG3      GLU  81 -21.567 -14.676 -12.645
  652    H    VAL  82           H        VAL  82 -22.072  -9.641 -13.342
  653    HA   VAL  82           HA       VAL  82 -22.403  -8.228 -10.775
  654    HB   VAL  82           HB       VAL  82 -20.094  -8.152 -12.526
  655   HG11  VAL  82          HG11      VAL  82 -19.755  -5.785 -12.885
  656   HG12  VAL  82          HG12      VAL  82 -21.109  -6.413 -13.833
  657   HG13  VAL  82          HG13      VAL  82 -21.426  -5.445 -12.374
  658   HG21  VAL  82          HG21      VAL  82 -20.784  -6.664  -9.985
  659   HG22  VAL  82          HG22      VAL  82 -19.941  -8.219 -10.144
  660   HG23  VAL  82          HG23      VAL  82 -19.170  -6.740 -10.731
  661    H    ALA  83           H        ALA  83 -23.857  -6.588 -10.884
  662    HA   ALA  83           HA       ALA  83 -25.166  -6.060 -13.530
  663    HB1  ALA  83           HB1      ALA  83 -27.201  -5.532 -12.314
  664    HB2  ALA  83           HB2      ALA  83 -26.679  -7.184 -11.941
  665    HB3  ALA  83           HB3      ALA  83 -26.404  -5.881 -10.761
  666    H    ASP  84           H        ASP  84 -25.246  -3.968 -14.195
  667    HA   ASP  84           HA       ASP  84 -23.354  -2.159 -12.910
  668    HB2  ASP  84           HB2      ASP  84 -23.309  -2.561 -15.315
  669    HB3  ASP  84           HB3      ASP  84 -24.966  -1.954 -15.464
  670    H    ILE  85           H        ILE  85 -24.941  -2.111 -10.991
  671    HA   ILE  85           HA       ILE  85 -27.268  -0.484 -11.112
  672    HB   ILE  85           HB       ILE  85 -27.050  -0.237  -8.703
  673   HG12  ILE  85          HG12      ILE  85 -24.389  -1.663  -8.907
  674   HG13  ILE  85          HG13      ILE  85 -24.571   0.058  -8.577
  675   HG21  ILE  85          HG21      ILE  85 -26.365  -3.085  -9.551
  676   HG22  ILE  85          HG22      ILE  85 -27.353  -2.568  -8.167
  677   HG23  ILE  85          HG23      ILE  85 -27.947  -2.319  -9.805
  678   HD11  ILE  85          HD11      ILE  85 -25.587  -2.186  -6.782
  679   HD12  ILE  85          HD12      ILE  85 -24.169  -1.181  -6.505
  680   HD13  ILE  85          HD13      ILE  85 -25.785  -0.444  -6.488
  681    H    GLY  86           H        GLY  86 -23.959   0.477 -11.433
  682    HA2  GLY  86           HA2      GLY  86 -24.393   3.285 -10.730
  683    HA3  GLY  86           HA3      GLY  86 -22.937   2.526 -11.393
  684    H    GLY  87           H        GLY  87 -25.243   1.380 -13.452
  685    HA2  GLY  87           HA2      GLY  87 -25.465   3.774 -15.195
  686    HA3  GLY  87           HA3      GLY  87 -24.477   2.409 -15.730
  687    H    LYS  88           H        LYS  88 -25.483   0.477 -16.395
  688    HA   LYS  88           HA       LYS  88 -27.972   0.884 -17.676
  689    HB2  LYS  88           HB2      LYS  88 -26.681  -1.804 -17.028
  690    HB3  LYS  88           HB3      LYS  88 -27.905  -1.503 -18.260
  691    HG2  LYS  88           HG2      LYS  88 -25.079  -0.408 -18.299
  692    HG3  LYS  88           HG3      LYS  88 -25.695  -1.788 -19.207
  693    HD2  LYS  88           HD2      LYS  88 -27.309  -0.288 -20.399
  694    HD3  LYS  88           HD3      LYS  88 -26.673   1.089 -19.480
  695    HE2  LYS  88           HE2      LYS  88 -25.545   1.167 -21.538
  696    HE3  LYS  88           HE3      LYS  88 -24.393   0.556 -20.335
  697    HZ1  LYS  88           HZ1      LYS  88 -25.858  -1.108 -22.304
  698    HZ2  LYS  88           HZ2      LYS  88 -24.285  -0.701 -22.397
  699    HZ3  LYS  88           HZ3      LYS  88 -24.794  -1.683 -21.193
  700    H    ASP  89           H        ASP  89 -27.316  -0.571 -14.567
  701    HA   ASP  89           HA       ASP  89 -28.435  -1.325 -12.858
  702    HB2  ASP  89           HB2      ASP  89 -29.289   0.948 -12.852
  703    HB3  ASP  89           HB3      ASP  89 -30.634   0.479 -13.895
  704    H    ASP  90           H        ASP  90 -30.163  -1.881 -15.835
  705    HA   ASP  90           HA       ASP  90 -31.753  -4.081 -14.632
  706    HB2  ASP  90           HB2      ASP  90 -32.860  -2.107 -15.706
  707    HB3  ASP  90           HB3      ASP  90 -32.051  -2.529 -17.219
  708    H    ASP  91           H        ASP  91 -28.822  -3.951 -15.913
  709    HA   ASP  91           HA       ASP  91 -29.125  -6.498 -17.395
  710    HB2  ASP  91           HB2      ASP  91 -28.946  -4.503 -19.005
  711    HB3  ASP  91           HB3      ASP  91 -27.280  -4.342 -18.421
  712    H    VAL  92           H        VAL  92 -27.062  -7.591 -17.694
  713    HA   VAL  92           HA       VAL  92 -25.326  -7.348 -15.289
  714    HB   VAL  92           HB       VAL  92 -26.643  -9.823 -16.487
  715   HG11  VAL  92          HG11      VAL  92 -25.002  -9.628 -13.935
  716   HG12  VAL  92          HG12      VAL  92 -25.848 -11.063 -14.540
  717   HG13  VAL  92          HG13      VAL  92 -24.485 -10.413 -15.442
  718   HG21  VAL  92          HG21      VAL  92 -27.912  -9.925 -14.320
  719   HG22  VAL  92          HG22      VAL  92 -27.278  -8.314 -13.920
  720   HG23  VAL  92          HG23      VAL  92 -28.348  -8.543 -15.318
  721    H    TYR  93           H        TYR  93 -23.231  -7.996 -15.528
  722    HA   TYR  93           HA       TYR  93 -22.184  -8.985 -18.121
  723    HB2  TYR  93           HB2      TYR  93 -21.067  -6.683 -16.451
  724    HB3  TYR  93           HB3      TYR  93 -20.326  -7.356 -17.894
  725    HD1  TYR  93           HD1      TYR  93 -21.402  -7.080 -20.139
  726    HD2  TYR  93           HD2      TYR  93 -22.882  -5.063 -16.622
  727    HE1  TYR  93           HE1      TYR  93 -22.678  -5.529 -21.576
  728    HE2  TYR  93           HE2      TYR  93 -24.177  -3.512 -18.047
  729    HH   TYR  93           HH       TYR  93 -24.145  -3.785 -21.653
  730    H    THR  94           H        THR  94 -19.585  -9.286 -17.458
  731    HA   THR  94           HA       THR  94 -19.476 -10.650 -14.815
  732    HB   THR  94           HB       THR  94 -17.959 -11.498 -17.310
  733    HG1  THR  94           HG1      THR  94 -20.176 -11.895 -17.558
  734   HG21  THR  94          HG21      THR  94 -18.435 -12.938 -14.661
  735   HG22  THR  94          HG22      THR  94 -17.504 -13.556 -16.044
  736   HG23  THR  94          HG23      THR  94 -16.915 -12.156 -15.137
  737    H    ALA  95           H        ALA  95 -17.586 -10.218 -13.662
  738    HA   ALA  95           HA       ALA  95 -15.692  -8.211 -14.766
  739    HB1  ALA  95           HB1      ALA  95 -15.873  -6.915 -12.666
  740    HB2  ALA  95           HB2      ALA  95 -17.443  -6.984 -13.489
  741    HB3  ALA  95           HB3      ALA  95 -17.134  -8.022 -12.080
  742    H    LYS  96           H        LYS  96 -13.691  -8.145 -13.574
  743    HA   LYS  96           HA       LYS  96 -12.895 -10.780 -12.476
  744    HB2  LYS  96           HB2      LYS  96 -11.264  -8.212 -12.732
  745    HB3  LYS  96           HB3      LYS  96 -10.683  -9.792 -12.272
  746    HG2  LYS  96           HG2      LYS  96  -9.951  -9.425 -14.466
  747    HG3  LYS  96           HG3      LYS  96 -11.185 -10.665 -14.534
  748    HD2  LYS  96           HD2      LYS  96 -11.250  -9.043 -16.433
  749    HD3  LYS  96           HD3      LYS  96 -12.757  -9.178 -15.564
  750    HE2  LYS  96           HE2      LYS  96 -12.471  -6.871 -16.043
  751    HE3  LYS  96           HE3      LYS  96 -12.188  -7.048 -14.313
  752    HZ1  LYS  96           HZ1      LYS  96 -10.555  -5.627 -15.171
  753    HZ2  LYS  96           HZ2      LYS  96  -9.751  -7.028 -14.890
  754    HZ3  LYS  96           HZ3      LYS  96 -10.162  -6.622 -16.421
  755    H    LEU  97           H        LEU  97 -12.998 -11.148 -10.211
  756    HA   LEU  97           HA       LEU  97 -13.820  -9.097  -8.386
  757    HB2  LEU  97           HB2      LEU  97 -13.995 -11.557  -7.964
  758    HB3  LEU  97           HB3      LEU  97 -12.230 -11.643  -7.873
  759    HG   LEU  97           HG       LEU  97 -12.258 -10.160  -5.879
  760   HD11  LEU  97          HD11      LEU  97 -14.305  -8.866  -6.237
  761   HD12  LEU  97          HD12      LEU  97 -15.296 -10.342  -6.210
  762   HD13  LEU  97          HD13      LEU  97 -14.486  -9.772  -4.743
  763   HD21  LEU  97          HD21      LEU  97 -13.073 -11.855  -4.352
  764   HD22  LEU  97          HD22      LEU  97 -14.105 -12.562  -5.619
  765   HD23  LEU  97          HD23      LEU  97 -12.332 -12.652  -5.734
  766    H    SER  98           H        SER  98 -10.695 -10.237  -9.578
  767    HA   SER  98           HA       SER  98  -8.820  -8.886  -8.105
  768    HB2  SER  98           HB2      SER  98  -8.857  -9.320 -11.116
  769    HB3  SER  98           HB3      SER  98  -7.442  -9.274 -10.064
  770    HG   SER  98           HG       SER  98  -8.449 -11.439 -10.715
  771    H    ASP  99           H        ASP  99 -11.236  -7.389 -10.093
  772    HA   ASP  99           HA       ASP  99  -9.697  -4.861 -10.290
  773    HB2  ASP  99           HB2      ASP  99 -10.113  -6.291 -12.377
  774    HB3  ASP  99           HB3      ASP  99 -11.825  -5.905 -12.192
  775    H    ILE 100           H        ILE 100 -11.746  -6.100  -8.334
  776    HA   ILE 100           HA       ILE 100 -13.644  -3.801  -8.233
  777    HB   ILE 100           HB       ILE 100 -14.048  -6.744  -8.149
  778   HG12  ILE 100          HG12      ILE 100 -15.908  -4.427  -8.799
  779   HG13  ILE 100          HG13      ILE 100 -14.786  -5.164  -9.964
  780   HG21  ILE 100          HG21      ILE 100 -14.673  -6.264  -5.800
  781   HG22  ILE 100          HG22      ILE 100 -15.854  -5.061  -6.379
  782   HG23  ILE 100          HG23      ILE 100 -16.032  -6.783  -6.770
  783   HD11  ILE 100          HD11      ILE 100 -16.954  -6.052 -10.363
  784   HD12  ILE 100          HD12      ILE 100 -15.991  -7.351  -9.621
  785   HD13  ILE 100          HD13      ILE 100 -17.199  -6.453  -8.658
  786    H    GLU 101           H        GLU 101 -14.306  -3.130  -6.276
  787    HA   GLU 101           HA       GLU 101 -12.708  -3.858  -3.865
  788    HB2  GLU 101           HB2      GLU 101 -12.080  -1.641  -4.769
  789    HB3  GLU 101           HB3      GLU 101 -13.777  -1.129  -4.732
  790    HG2  GLU 101           HG2      GLU 101 -13.793  -1.505  -2.254
  791    HG3  GLU 101           HG3      GLU 101 -12.079  -1.919  -2.327
  792    H    ALA 102           H        ALA 102 -14.060  -4.800  -2.399
  793    HA   ALA 102           HA       ALA 102 -16.939  -4.860  -2.892
  794    HB1  ALA 102           HB1      ALA 102 -16.988  -6.398  -1.009
  795    HB2  ALA 102           HB2      ALA 102 -15.640  -6.822  -2.082
  796    HB3  ALA 102           HB3      ALA 102 -15.323  -5.975  -0.552
  797    H    ILE 103           H        ILE 103 -18.496  -3.820  -1.759
  798    HA   ILE 103           HA       ILE 103 -17.728  -1.934   0.429
  799    HB   ILE 103           HB       ILE 103 -19.415  -1.519  -2.051
  800   HG12  ILE 103          HG12      ILE 103 -17.010   0.041  -0.991
  801   HG13  ILE 103          HG13      ILE 103 -16.913  -1.209  -2.230
  802   HG21  ILE 103          HG21      ILE 103 -19.180   0.390   0.316
  803   HG22  ILE 103          HG22      ILE 103 -19.999   0.737  -1.224
  804   HG23  ILE 103          HG23      ILE 103 -20.644  -0.497  -0.174
  805   HD11  ILE 103          HD11      ILE 103 -18.444   0.088  -3.677
  806   HD12  ILE 103          HD12      ILE 103 -18.355   1.433  -2.507
  807   HD13  ILE 103          HD13      ILE 103 -16.888   0.881  -3.326
  808    H    ASP 104           H        ASP 104 -19.110  -1.818   2.115
  809    HA   ASP 104           HA       ASP 104 -20.724  -2.343   3.563
  810    HB2  ASP 104           HB2      ASP 104 -21.840  -0.756   2.042
  811    HB3  ASP 104           HB3      ASP 104 -22.516  -2.105   1.128
  812    H    VAL 105           H        VAL 105 -19.372  -4.645   2.630
  813    HA   VAL 105           HA       VAL 105 -21.515  -6.707   2.790
  814    HB   VAL 105           HB       VAL 105 -19.987  -6.560   0.761
  815   HG11  VAL 105          HG11      VAL 105 -17.814  -6.222   1.850
  816   HG12  VAL 105          HG12      VAL 105 -17.937  -7.832   2.588
  817   HG13  VAL 105          HG13      VAL 105 -17.831  -7.667   0.830
  818   HG21  VAL 105          HG21      VAL 105 -20.014  -8.887   0.416
  819   HG22  VAL 105          HG22      VAL 105 -20.128  -9.230   2.154
  820   HG23  VAL 105          HG23      VAL 105 -21.468  -8.442   1.314
  821    H    ASP 106           H        ASP 106 -20.735  -8.797   3.906
  822    HA   ASP 106           HA       ASP 106 -20.208  -8.222   6.659
  823    HB2  ASP 106           HB2      ASP 106 -21.525 -10.166   5.902
  824    HB3  ASP 106           HB3      ASP 106 -20.081 -10.833   5.116
  825    H    ASP 107           H        ASP 107 -18.435  -8.908   7.903
  826    HA   ASP 107           HA       ASP 107 -15.917  -8.030   6.973
  827    HB2  ASP 107           HB2      ASP 107 -16.558  -8.021   9.333
  828    HB3  ASP 107           HB3      ASP 107 -16.646  -9.785   9.348
  829    H    ASP 108           H        ASP 108 -17.198 -11.428   7.206
  830    HA   ASP 108           HA       ASP 108 -14.565 -12.490   6.623
  831    HB2  ASP 108           HB2      ASP 108 -16.539 -13.657   7.846
  832    HB3  ASP 108           HB3      ASP 108 -17.157 -14.004   6.221
  833    H    THR 109           H        THR 109 -17.223 -11.300   4.714
  834    HA   THR 109           HA       THR 109 -16.454 -12.613   2.197
  835    HB   THR 109           HB       THR 109 -18.361 -10.294   2.811
  836    HG1  THR 109           HG1      THR 109 -18.806 -12.465   3.679
  837   HG21  THR 109          HG21      THR 109 -19.418 -11.058   0.633
  838   HG22  THR 109          HG22      THR 109 -17.875 -10.178   0.467
  839   HG23  THR 109          HG23      THR 109 -17.922 -11.938   0.319
  840    H    GLN 110           H        GLN 110 -16.204  -9.316   3.700
  841    HA   GLN 110           HA       GLN 110 -14.704  -8.174   1.602
  842    HB2  GLN 110           HB2      GLN 110 -15.869  -7.155   3.759
  843    HB3  GLN 110           HB3      GLN 110 -14.289  -7.371   4.501
  844    HG2  GLN 110           HG2      GLN 110 -14.941  -5.758   1.988
  845    HG3  GLN 110           HG3      GLN 110 -14.634  -5.095   3.585
  846   HE21  GLN 110          HE22      GLN 110 -13.166  -5.957   0.610
  847   HE22  GLN 110          HE21      GLN 110 -11.501  -5.902   1.126
  848    H    GLU 111           H        GLU 111 -13.609  -9.874   4.605
  849    HA   GLU 111           HA       GLU 111 -10.838  -9.603   4.103
  850    HB2  GLU 111           HB2      GLU 111 -12.471 -11.616   5.689
  851    HB3  GLU 111           HB3      GLU 111 -10.714 -11.687   5.626
  852    HG2  GLU 111           HG2      GLU 111 -12.226  -9.195   6.539
  853    HG3  GLU 111           HG3      GLU 111 -11.694 -10.473   7.624
  854    H    ALA 112           H        ALA 112 -13.126 -12.222   3.032
  855    HA   ALA 112           HA       ALA 112 -11.081 -13.862   1.915
  856    HB1  ALA 112           HB1      ALA 112 -13.388 -14.650   2.291
  857    HB2  ALA 112           HB2      ALA 112 -13.983 -13.555   1.018
  858    HB3  ALA 112           HB3      ALA 112 -12.894 -14.897   0.608
  859    H    ILE 113           H        ILE 113 -12.901 -11.105   0.558
  860    HA   ILE 113           HA       ILE 113 -11.845 -11.371  -2.105
  861    HB   ILE 113           HB       ILE 113 -13.189  -9.094  -0.596
  862   HG12  ILE 113          HG12      ILE 113 -14.294 -10.927  -2.779
  863   HG13  ILE 113          HG13      ILE 113 -14.461 -11.292  -1.085
  864   HG21  ILE 113          HG21      ILE 113 -13.580  -8.070  -2.865
  865   HG22  ILE 113          HG22      ILE 113 -11.892  -8.063  -2.372
  866   HG23  ILE 113          HG23      ILE 113 -12.453  -9.262  -3.549
  867   HD11  ILE 113          HD11      ILE 113 -15.668  -8.957  -2.557
  868   HD12  ILE 113          HD12      ILE 113 -16.479 -10.287  -1.716
  869   HD13  ILE 113          HD13      ILE 113 -15.616  -9.058  -0.773
  870    H    ALA 114           H        ALA 114 -10.901  -9.347   0.746
  871    HA   ALA 114           HA       ALA 114  -8.679  -8.070  -0.487
  872    HB1  ALA 114           HB1      ALA 114  -9.086  -8.854   2.434
  873    HB2  ALA 114           HB2      ALA 114  -7.924  -7.663   1.820
  874    HB3  ALA 114           HB3      ALA 114  -9.665  -7.356   1.669
  875    H    ASP 115           H        ASP 115  -8.998 -11.232   1.130
  876    HA   ASP 115           HA       ASP 115  -6.253 -11.900   1.217
  877    HB2  ASP 115           HB2      ASP 115  -8.093 -12.995   2.489
  878    HB3  ASP 115           HB3      ASP 115  -8.601 -13.806   1.009
  879    H    TRP 116           H        TRP 116  -8.727 -12.509  -1.313
  880    HA   TRP 116           HA       TRP 116  -6.975 -13.882  -3.145
  881    HB2  TRP 116           HB2      TRP 116  -9.323 -14.087  -3.510
  882    HB3  TRP 116           HB3      TRP 116  -9.570 -12.348  -3.463
  883    HD1  TRP 116           HD1      TRP 116  -9.597 -11.094  -5.671
  884    HE1  TRP 116           HE1      TRP 116  -8.985 -11.582  -8.123
  885    HE3  TRP 116           HE3      TRP 116  -7.509 -15.737  -5.116
  886    HZ2  TRP 116           HZ2      TRP 116  -7.825 -13.712  -9.639
  887    HZ3  TRP 116           HZ3      TRP 116  -6.686 -16.988  -7.080
  888    HH2  TRP 116           HH2      TRP 116  -6.824 -15.982  -9.358
  889    H    LEU 117           H        LEU 117  -7.849 -10.413  -2.717
  890    HA   LEU 117           HA       LEU 117  -6.441  -9.516  -5.010
  891    HB2  LEU 117           HB2      LEU 117  -7.257  -8.141  -2.426
  892    HB3  LEU 117           HB3      LEU 117  -6.432  -7.273  -3.712
  893    HG   LEU 117           HG       LEU 117  -9.017  -8.801  -4.232
  894   HD11  LEU 117          HD11      LEU 117  -8.694  -5.871  -3.452
  895   HD12  LEU 117          HD12      LEU 117 -10.195  -6.643  -4.016
  896   HD13  LEU 117          HD13      LEU 117  -9.471  -7.144  -2.483
  897   HD21  LEU 117          HD21      LEU 117  -7.684  -8.204  -6.235
  898   HD22  LEU 117          HD22      LEU 117  -9.197  -7.291  -6.161
  899   HD23  LEU 117          HD23      LEU 117  -7.666  -6.507  -5.720
  900    H    TYR 118           H        TYR 118  -5.309  -9.751  -1.555
  901    HA   TYR 118           HA       TYR 118  -2.721  -8.758  -2.319
  902    HB2  TYR 118           HB2      TYR 118  -2.098  -8.827  -0.183
  903    HB3  TYR 118           HB3      TYR 118  -3.829  -8.753   0.022
  904    HD1  TYR 118           HD1      TYR 118  -0.975 -11.252  -0.137
  905    HD2  TYR 118           HD2      TYR 118  -4.775 -10.184   1.607
  906    HE1  TYR 118           HE1      TYR 118  -0.810 -13.187   1.387
  907    HE2  TYR 118           HE2      TYR 118  -4.601 -12.100   3.159
  908    HH   TYR 118           HH       TYR 118  -3.382 -13.978   3.769
  909    H    TRP 119           H        TRP 119  -4.090 -12.077  -2.129
  910    HA   TRP 119           HA       TRP 119  -1.664 -13.476  -2.600
  911    HB2  TRP 119           HB2      TRP 119  -3.474 -14.837  -2.096
  912    HB3  TRP 119           HB3      TRP 119  -4.579 -13.971  -3.150
  913    HD1  TRP 119           HD1      TRP 119  -4.996 -14.825  -5.485
  914    HE1  TRP 119           HE1      TRP 119  -4.093 -16.688  -6.964
  915    HE3  TRP 119           HE3      TRP 119  -1.040 -16.282  -2.578
  916    HZ2  TRP 119           HZ2      TRP 119  -1.935 -18.602  -6.886
  917    HZ3  TRP 119           HZ3      TRP 119   0.448 -18.120  -3.322
  918    HH2  TRP 119           HH2      TRP 119   0.022 -19.292  -5.463
  919    H    LEU 120           H        LEU 120  -3.868 -11.761  -4.887
  920    HA   LEU 120           HA       LEU 120  -2.550 -12.755  -7.197
  921    HB2  LEU 120           HB2      LEU 120  -4.857 -11.554  -6.973
  922    HB3  LEU 120           HB3      LEU 120  -3.932 -10.051  -7.004
  923    HG   LEU 120           HG       LEU 120  -2.910 -10.891  -9.225
  924   HD11  LEU 120          HD11      LEU 120  -4.216 -12.600 -10.446
  925   HD12  LEU 120          HD12      LEU 120  -3.556 -13.308  -8.970
  926   HD13  LEU 120          HD13      LEU 120  -5.260 -12.843  -9.032
  927   HD21  LEU 120          HD21      LEU 120  -5.906 -10.420  -9.038
  928   HD22  LEU 120          HD22      LEU 120  -4.655  -9.159  -9.129
  929   HD23  LEU 120          HD23      LEU 120  -4.929 -10.231 -10.514
  930    H    ALA 121           H        ALA 121  -2.103  -9.809  -5.224
  931    HA   ALA 121           HA       ALA 121   0.063  -8.685  -6.705
  932    HB1  ALA 121           HB1      ALA 121   0.408  -7.362  -4.643
  933    HB2  ALA 121           HB2      ALA 121  -1.315  -7.440  -5.077
  934    HB3  ALA 121           HB3      ALA 121  -0.686  -8.448  -3.758
  935    H    ARG 122           H        ARG 122  -0.054 -11.184  -4.155
  936    HA   ARG 122           HA       ARG 122   2.667 -11.192  -3.461
  937    HB2  ARG 122           HB2      ARG 122   0.962 -12.297  -2.102
  938    HB3  ARG 122           HB3      ARG 122   0.574 -13.405  -3.404
  939    HG2  ARG 122           HG2      ARG 122   1.807 -14.545  -1.691
  940    HG3  ARG 122           HG3      ARG 122   2.692 -14.544  -3.209
  941    HD2  ARG 122           HD2      ARG 122   4.030 -12.542  -2.277
  942    HD3  ARG 122           HD3      ARG 122   3.218 -12.845  -0.740
  943    HE   ARG 122           HE       ARG 122   4.359 -14.851  -0.463
  944   HH11  ARG 122          HH11      ARG 122   5.176 -13.519  -3.693
  945   HH12  ARG 122          HH12      ARG 122   6.704 -14.323  -3.769
  946   HH21  ARG 122          HH21      ARG 122   6.238 -16.033  -0.672
  947   HH22  ARG 122          HH22      ARG 122   7.322 -15.835  -2.026
  948    H    GLY 123           H        GLY 123   1.199 -12.476  -6.415
  949    HA2  GLY 123           HA2      GLY 123   3.464 -12.635  -7.832
  950    HA3  GLY 123           HA3      GLY 123   3.547 -14.174  -6.969
  951    H    TYR 124           H        TYR 124   0.307 -13.909  -7.338
  952    HA   TYR 124           HA       TYR 124  -1.070 -15.290  -8.521
  953    HB2  TYR 124           HB2      TYR 124  -1.211 -13.050  -9.496
  954    HB3  TYR 124           HB3      TYR 124   0.055 -13.443 -10.645
  955    HD1  TYR 124           HD2      TYR 124  -2.826 -15.725  -9.743
  956    HD2  TYR 124           HD1      TYR 124  -1.144 -12.995 -12.646
  957    HE1  TYR 124           HE2      TYR 124  -4.549 -16.381 -11.344
  958    HE2  TYR 124           HE1      TYR 124  -2.888 -13.660 -14.271
  959    HH   TYR 124           HH       TYR 124  -5.460 -16.030 -13.425
  960    H    LYS 125           H        LYS 125   0.718 -16.987  -8.026
  961    HA   LYS 125           HA       LYS 125   1.683 -18.209 -10.594
  962    HB2  LYS 125           HB2      LYS 125   3.702 -18.882  -9.464
  963    HB3  LYS 125           HB3      LYS 125   3.483 -17.138  -9.379
  964    HG2  LYS 125           HG2      LYS 125   2.754 -17.290  -7.035
  965    HG3  LYS 125           HG3      LYS 125   2.797 -19.061  -7.108
  966    HD2  LYS 125           HD2      LYS 125   5.236 -18.982  -7.567
  967    HD3  LYS 125           HD3      LYS 125   5.196 -17.208  -7.438
  968    HE2  LYS 125           HE2      LYS 125   4.428 -17.370  -5.102
  969    HE3  LYS 125           HE3      LYS 125   4.333 -19.131  -5.228
  970    HZ1  LYS 125           HZ1      LYS 125   6.372 -18.439  -4.145
  971    HZ2  LYS 125           HZ2      LYS 125   6.733 -19.185  -5.544
  972    HZ3  LYS 125           HZ3      LYS 125   6.837 -17.558  -5.439
  973    H    PHE 126           H        PHE 126  -0.365 -18.889  -8.038
  974    HA   PHE 126           HA       PHE 126  -1.083 -20.746  -6.945
  975    HB2  PHE 126           HB2      PHE 126  -1.107 -21.764  -9.797
  976    HB3  PHE 126           HB3      PHE 126  -1.959 -22.498  -8.450
  977    HD1  PHE 126           HD1      PHE 126  -3.492 -20.791  -7.021
  978    HD2  PHE 126           HD2      PHE 126  -2.377 -20.293 -11.159
  979    HE1  PHE 126           HE1      PHE 126  -5.420 -19.277  -7.360
  980    HE2  PHE 126           HE2      PHE 126  -4.355 -18.838 -11.511
  981    HZ   PHE 126           HZ       PHE 126  -5.880 -18.322  -9.616
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   7.436  -2.871   0.490
    2    H2   MET   1           H2       MET   1   6.978  -3.895  -0.703
    3    H3   MET   1           H3       MET   1   5.847  -3.061   0.131
    4    HA   MET   1           HA       MET   1   7.603  -5.142   1.234
    5    HB2  MET   1           HB2      MET   1   7.082  -3.373   2.877
    6    HB3  MET   1           HB3      MET   1   5.352  -3.598   2.602
    7    HG2  MET   1           HG2      MET   1   5.513  -5.913   3.460
    8    HG3  MET   1           HG3      MET   1   7.261  -5.721   3.665
    9    HE1  MET   1           HE1      MET   1   7.127  -6.548   6.156
   10    HE2  MET   1           HE2      MET   1   5.994  -5.894   7.360
   11    HE3  MET   1           HE3      MET   1   5.378  -6.794   5.957
   12    H    ALA   2           H        ALA   2   7.030  -6.954   0.057
   13    HA   ALA   2           HA       ALA   2   4.421  -7.342  -1.067
   14    HB1  ALA   2           HB1      ALA   2   6.666  -9.347  -0.554
   15    HB2  ALA   2           HB2      ALA   2   5.278  -9.580  -1.634
   16    HB3  ALA   2           HB3      ALA   2   6.480  -8.335  -2.010
   17    H    SER   3           H        SER   3   5.792  -8.170   2.087
   18    HA   SER   3           HA       SER   3   3.872 -10.152   2.821
   19    HB2  SER   3           HB2      SER   3   5.065  -9.541   5.129
   20    HB3  SER   3           HB3      SER   3   5.858 -10.471   3.858
   21    HG   SER   3           HG       SER   3   7.219  -8.832   4.597
   22    H    VAL   4           H        VAL   4   2.193  -8.407   1.928
   23    HA   VAL   4           HA       VAL   4   1.402  -6.240   3.597
   24    HB   VAL   4           HB       VAL   4  -0.664  -6.294   2.185
   25   HG11  VAL   4          HG11      VAL   4   1.390  -5.096   1.455
   26   HG12  VAL   4          HG12      VAL   4   1.910  -6.545   0.570
   27   HG13  VAL   4          HG13      VAL   4   0.427  -5.698   0.097
   28   HG21  VAL   4          HG21      VAL   4  -0.871  -7.835   0.318
   29   HG22  VAL   4          HG22      VAL   4   0.617  -8.684   0.759
   30   HG23  VAL   4          HG23      VAL   4  -0.801  -8.766   1.820
   31    H    GLU   5           H        GLU   5   0.779  -9.660   3.908
   32    HA   GLU   5           HA       GLU   5  -1.711  -9.518   5.325
   33    HB2  GLU   5           HB2      GLU   5  -1.374 -11.828   5.816
   34    HB3  GLU   5           HB3      GLU   5  -0.946 -11.547   4.146
   35    HG2  GLU   5           HG2      GLU   5   0.978 -11.966   6.477
   36    HG3  GLU   5           HG3      GLU   5   0.546 -13.153   5.257
   37    H    ARG   6           H        ARG   6  -2.091  -9.886   7.596
   38    HA   ARG   6           HA       ARG   6  -0.330  -8.355   9.253
   39    HB2  ARG   6           HB2      ARG   6  -1.856  -8.754  11.036
   40    HB3  ARG   6           HB3      ARG   6  -2.781  -8.451   9.569
   41    HG2  ARG   6           HG2      ARG   6  -3.170 -10.935   9.351
   42    HG3  ARG   6           HG3      ARG   6  -2.290 -11.169  10.878
   43    HD2  ARG   6           HD2      ARG   6  -3.930  -9.666  12.016
   44    HD3  ARG   6           HD3      ARG   6  -4.847  -9.564  10.497
   45    HE   ARG   6           HE       ARG   6  -4.431 -12.302  11.190
   46   HH11  ARG   6          HH11      ARG   6  -6.320  -9.497  12.273
   47   HH12  ARG   6          HH12      ARG   6  -7.579 -10.437  12.983
   48   HH21  ARG   6          HH22      ARG   6  -6.108 -13.560  12.148
   49   HH22  ARG   6          HH21      ARG   6  -7.454 -12.797  12.900
   50    H    ASP   7           H        ASP   7  -0.536 -11.853   8.646
   51    HA   ASP   7           HA       ASP   7   1.861 -12.348  10.228
   52    HB2  ASP   7           HB2      ASP   7  -0.014 -12.347  11.928
   53    HB3  ASP   7           HB3      ASP   7  -0.800 -13.629  11.010
   54    H    GLU   8           H        GLU   8   2.815 -14.304   9.585
   55    HA   GLU   8           HA       GLU   8   2.219 -15.255   6.995
   56    HB2  GLU   8           HB2      GLU   8   3.981 -16.914   7.440
   57    HB3  GLU   8           HB3      GLU   8   4.477 -15.273   7.799
   58    HG2  GLU   8           HG2      GLU   8   3.406 -16.940  10.085
   59    HG3  GLU   8           HG3      GLU   8   4.968 -17.366   9.409
   60    H    THR   9           H        THR   9   0.715 -16.209   9.977
   61    HA   THR   9           HA       THR   9  -0.097 -18.839   9.478
   62    HB   THR   9           HB       THR   9  -1.673 -16.521  10.617
   63    HG1  THR   9           HG1      THR   9   0.174 -16.775  11.735
   64   HG21  THR   9          HG21      THR   9  -2.858 -18.286  11.928
   65   HG22  THR   9          HG22      THR   9  -3.178 -18.403  10.194
   66   HG23  THR   9          HG23      THR   9  -2.035 -19.532  10.957
   67    H    ARG  10           H        ARG  10  -1.157 -15.844   7.772
   68    HA   ARG  10           HA       ARG  10  -3.379 -17.087   6.428
   69    HB2  ARG  10           HB2      ARG  10  -1.554 -14.763   5.656
   70    HB3  ARG  10           HB3      ARG  10  -2.925 -15.263   4.674
   71    HG2  ARG  10           HG2      ARG  10  -3.161 -14.345   7.573
   72    HG3  ARG  10           HG3      ARG  10  -3.392 -13.309   6.160
   73    HD2  ARG  10           HD2      ARG  10  -5.253 -14.765   5.383
   74    HD3  ARG  10           HD3      ARG  10  -5.052 -15.778   6.805
   75    HE   ARG  10           HE       ARG  10  -5.792 -14.046   8.222
   76   HH11  ARG  10          HH11      ARG  10  -6.231 -13.143   4.767
   77   HH12  ARG  10          HH12      ARG  10  -7.556 -12.081   5.140
   78   HH21  ARG  10          HH21      ARG  10  -7.529 -12.606   8.610
   79   HH22  ARG  10          HH22      ARG  10  -8.313 -11.785   7.296
   80    H    GLU  11           H        GLU  11   0.103 -16.866   5.532
   81    HA   GLU  11           HA       GLU  11  -0.308 -18.167   2.974
   82    HB2  GLU  11           HB2      GLU  11   2.182 -17.657   4.664
   83    HB3  GLU  11           HB3      GLU  11   2.226 -18.378   3.057
   84    HG2  GLU  11           HG2      GLU  11   1.055 -15.619   3.619
   85    HG3  GLU  11           HG3      GLU  11   2.731 -15.910   3.178
   86    H    HIS  12           H        HIS  12   0.837 -19.221   6.212
   87    HA   HIS  12           HA       HIS  12   1.417 -21.919   5.522
   88    HB2  HIS  12           HB2      HIS  12   2.222 -21.197   7.605
   89    HB3  HIS  12           HB3      HIS  12   0.719 -20.389   8.029
   90    HD1  HIS  12           HD1      HIS  12   1.783 -24.133   7.604
   91    HD2  HIS  12           HD2      HIS  12  -0.761 -21.540   9.736
   92    HE1  HIS  12           HE1      HIS  12   0.537 -25.580   9.286
   93    H    ARG  13           H        ARG  13  -1.661 -20.441   6.765
   94    HA   ARG  13           HA       ARG  13  -3.068 -22.937   6.736
   95    HB2  ARG  13           HB2      ARG  13  -3.974 -20.028   6.755
   96    HB3  ARG  13           HB3      ARG  13  -5.107 -21.364   6.637
   97    HG2  ARG  13           HG2      ARG  13  -4.111 -22.368   8.739
   98    HG3  ARG  13           HG3      ARG  13  -3.104 -20.924   8.901
   99    HD2  ARG  13           HD2      ARG  13  -5.064 -20.709  10.312
  100    HD3  ARG  13           HD3      ARG  13  -5.157 -19.525   8.994
  101    HE   ARG  13           HE       ARG  13  -6.451 -21.975   8.216
  102   HH11  ARG  13          HH21      ARG  13  -7.055 -19.275  10.456
  103   HH12  ARG  13          HH22      ARG  13  -8.770 -19.349  10.288
  104   HH21  ARG  13          HH11      ARG  13  -8.671 -22.009   7.897
  105   HH22  ARG  13          HH12      ARG  13  -9.722 -20.986   8.831
  106    H    ILE  14           H        ILE  14  -3.061 -20.229   4.282
  107    HA   ILE  14           HA       ILE  14  -4.935 -21.492   2.729
  108    HB   ILE  14           HB       ILE  14  -3.990 -19.100   2.566
  109   HG12  ILE  14          HG12      ILE  14  -4.935 -20.760   0.225
  110   HG13  ILE  14          HG13      ILE  14  -5.866 -19.774   1.381
  111   HG21  ILE  14          HG21      ILE  14  -1.657 -19.782   1.938
  112   HG22  ILE  14          HG22      ILE  14  -2.294 -20.315   0.364
  113   HG23  ILE  14          HG23      ILE  14  -2.390 -18.607   0.855
  114   HD11  ILE  14          HD11      ILE  14  -5.836 -18.654  -0.703
  115   HD12  ILE  14          HD12      ILE  14  -4.814 -17.729   0.419
  116   HD13  ILE  14          HD13      ILE  14  -4.071 -18.760  -0.837
  117    H    GLU  15           H        GLU  15  -1.397 -21.955   2.696
  118    HA   GLU  15           HA       GLU  15  -1.238 -23.699   0.452
  119    HB2  GLU  15           HB2      GLU  15   0.676 -22.540   1.451
  120    HB3  GLU  15           HB3      GLU  15   0.466 -23.425   2.960
  121    HG2  GLU  15           HG2      GLU  15   2.288 -24.382   1.665
  122    HG3  GLU  15           HG3      GLU  15   0.975 -25.539   1.850
  123    H    THR  16           H        THR  16  -1.935 -24.317   3.936
  124    HA   THR  16           HA       THR  16  -1.841 -27.214   3.385
  125    HB   THR  16           HB       THR  16  -1.758 -27.416   5.856
  126    HG1  THR  16           HG1      THR  16  -1.382 -24.608   5.871
  127   HG21  THR  16          HG21      THR  16   0.376 -25.576   4.687
  128   HG22  THR  16          HG22      THR  16   0.532 -26.617   6.119
  129   HG23  THR  16          HG23      THR  16   0.313 -27.343   4.520
  130    H    GLU  17           H        GLU  17  -4.351 -24.944   3.397
  131    HA   GLU  17           HA       GLU  17  -6.199 -27.242   3.802
  132    HB2  GLU  17           HB2      GLU  17  -7.621 -26.143   5.214
  133    HB3  GLU  17           HB3      GLU  17  -6.032 -25.687   5.798
  134    HG2  GLU  17           HG2      GLU  17  -6.364 -23.490   4.435
  135    HG3  GLU  17           HG3      GLU  17  -8.024 -24.018   4.230
  136    H    ILE  18           H        ILE  18  -5.350 -24.698   1.596
  137    HA   ILE  18           HA       ILE  18  -7.989 -25.056   0.228
  138    HB   ILE  18           HB       ILE  18  -5.865 -22.982  -0.353
  139   HG12  ILE  18          HG12      ILE  18  -6.481 -22.533   1.900
  140   HG13  ILE  18          HG13      ILE  18  -7.181 -21.325   0.821
  141   HG21  ILE  18          HG21      ILE  18  -7.457 -23.343  -2.184
  142   HG22  ILE  18          HG22      ILE  18  -8.807 -23.033  -1.083
  143   HG23  ILE  18          HG23      ILE  18  -7.626 -21.748  -1.471
  144   HD11  ILE  18          HD11      ILE  18  -8.591 -21.890   2.677
  145   HD12  ILE  18          HD12      ILE  18  -9.368 -22.218   1.110
  146   HD13  ILE  18          HD13      ILE  18  -8.734 -23.567   2.088
  147    H    ILE  19           H        ILE  19  -4.445 -24.989  -0.411
  148    HA   ILE  19           HA       ILE  19  -4.963 -26.279  -3.048
  149    HB   ILE  19           HB       ILE  19  -3.019 -24.984  -3.831
  150   HG12  ILE  19          HG12      ILE  19  -3.058 -23.790  -1.037
  151   HG13  ILE  19          HG13      ILE  19  -1.737 -24.623  -1.843
  152   HG21  ILE  19          HG21      ILE  19  -5.136 -23.138  -2.662
  153   HG22  ILE  19          HG22      ILE  19  -4.219 -22.939  -4.159
  154   HG23  ILE  19          HG23      ILE  19  -5.426 -24.214  -4.044
  155   HD11  ILE  19          HD11      ILE  19  -1.247 -22.282  -1.832
  156   HD12  ILE  19          HD12      ILE  19  -1.708 -22.682  -3.502
  157   HD13  ILE  19          HD13      ILE  19  -2.858 -21.857  -2.426
  158    H    VAL  20           H        VAL  20  -4.161 -27.475  -0.284
  159    HA   VAL  20           HA       VAL  20  -1.617 -28.576  -0.439
  160    HB   VAL  20           HB       VAL  20  -3.496 -30.549   0.607
  161   HG11  VAL  20          HG11      VAL  20  -1.189 -30.372   1.309
  162   HG12  VAL  20          HG12      VAL  20  -1.440 -28.720   1.891
  163   HG13  VAL  20          HG13      VAL  20  -2.244 -30.087   2.702
  164   HG21  VAL  20          HG21      VAL  20  -3.945 -27.749   1.680
  165   HG22  VAL  20          HG22      VAL  20  -5.149 -28.791   0.877
  166   HG23  VAL  20          HG23      VAL  20  -4.488 -29.262   2.439
  167    H    ASP  21           H        ASP  21  -4.583 -29.562  -2.111
  168    HA   ASP  21           HA       ASP  21  -3.477 -32.110  -3.025
  169    HB2  ASP  21           HB2      ASP  21  -5.819 -31.804  -2.215
  170    HB3  ASP  21           HB3      ASP  21  -6.137 -30.747  -3.591
  171    H    ALA  22           H        ALA  22  -2.844 -29.059  -4.098
  172    HA   ALA  22           HA       ALA  22  -3.031 -29.719  -7.006
  173    HB1  ALA  22           HB1      ALA  22  -4.779 -28.134  -6.433
  174    HB2  ALA  22           HB2      ALA  22  -3.638 -27.133  -5.511
  175    HB3  ALA  22           HB3      ALA  22  -3.483 -27.259  -7.274
  176    H    GLU  23           H        GLU  23  -1.250 -29.249  -8.203
  177    HA   GLU  23           HA       GLU  23   1.115 -28.007  -6.863
  178    HB2  GLU  23           HB2      GLU  23   0.913 -30.573  -8.491
  179    HB3  GLU  23           HB3      GLU  23   2.438 -29.827  -8.044
  180    HG2  GLU  23           HG2      GLU  23   0.358 -30.915  -6.105
  181    HG3  GLU  23           HG3      GLU  23   1.854 -31.702  -6.577
  182    H    ASP  24           H        ASP  24  -1.024 -27.583  -9.376
  183    HA   ASP  24           HA       ASP  24   1.026 -26.298 -11.123
  184    HB2  ASP  24           HB2      ASP  24   0.179 -28.375 -12.162
  185    HB3  ASP  24           HB3      ASP  24  -1.484 -27.829 -11.926
  186    H    LYS  25           H        LYS  25   0.411 -24.281 -11.935
  187    HA   LYS  25           HA       LYS  25  -1.140 -22.698 -10.321
  188    HB2  LYS  25           HB2      LYS  25  -0.866 -20.928 -11.844
  189    HB3  LYS  25           HB3      LYS  25   0.607 -21.875 -11.910
  190    HG2  LYS  25           HG2      LYS  25  -1.649 -22.003 -13.964
  191    HG3  LYS  25           HG3      LYS  25  -0.263 -20.943 -14.101
  192    HD2  LYS  25           HD2      LYS  25   1.259 -22.695 -14.509
  193    HD3  LYS  25           HD3      LYS  25   0.185 -23.918 -13.846
  194    HE2  LYS  25           HE2      LYS  25  -1.362 -22.844 -15.874
  195    HE3  LYS  25           HE3      LYS  25   0.250 -22.783 -16.581
  196    HZ1  LYS  25           HZ1      LYS  25  -0.766 -25.236 -15.273
  197    HZ2  LYS  25           HZ2      LYS  25  -1.188 -24.898 -16.810
  198    HZ3  LYS  25           HZ3      LYS  25   0.411 -25.115 -16.411
  199    H    GLU  26           H        GLU  26  -2.402 -24.609 -13.068
  200    HA   GLU  26           HA       GLU  26  -4.899 -23.092 -13.204
  201    HB2  GLU  26           HB2      GLU  26  -4.019 -25.821 -14.249
  202    HB3  GLU  26           HB3      GLU  26  -5.643 -25.172 -14.486
  203    HG2  GLU  26           HG2      GLU  26  -4.812 -23.278 -15.740
  204    HG3  GLU  26           HG3      GLU  26  -3.146 -23.676 -15.349
  205    H    GLU  27           H        GLU  27  -3.735 -26.087 -11.611
  206    HA   GLU  27           HA       GLU  27  -6.298 -26.822 -10.515
  207    HB2  GLU  27           HB2      GLU  27  -3.466 -27.558  -9.643
  208    HB3  GLU  27           HB3      GLU  27  -4.940 -28.352  -9.095
  209    HG2  GLU  27           HG2      GLU  27  -3.918 -28.280 -11.971
  210    HG3  GLU  27           HG3      GLU  27  -3.753 -29.626 -10.853
  211    H    ARG  28           H        ARG  28  -3.528 -24.873  -9.336
  212    HA   ARG  28           HA       ARG  28  -4.725 -24.433  -6.731
  213    HB2  ARG  28           HB2      ARG  28  -2.466 -22.982  -8.194
  214    HB3  ARG  28           HB3      ARG  28  -2.981 -22.643  -6.528
  215    HG2  ARG  28           HG2      ARG  28  -2.668 -25.095  -6.021
  216    HG3  ARG  28           HG3      ARG  28  -1.877 -25.290  -7.581
  217    HD2  ARG  28           HD2      ARG  28  -0.014 -23.960  -6.913
  218    HD3  ARG  28           HD3      ARG  28  -0.913 -23.278  -5.542
  219    HE   ARG  28           HE       ARG  28  -0.533 -26.206  -5.548
  220   HH11  ARG  28          HH11      ARG  28   0.767 -23.175  -4.214
  221   HH12  ARG  28          HH12      ARG  28   1.058 -23.881  -2.639
  222   HH21  ARG  28          HH21      ARG  28  -0.154 -27.066  -3.556
  223   HH22  ARG  28          HH22      ARG  28   0.681 -26.153  -2.309
  224    H    ALA  29           H        ALA  29  -5.046 -22.774  -9.853
  225    HA   ALA  29           HA       ALA  29  -6.473 -20.500  -8.788
  226    HB1  ALA  29           HB1      ALA  29  -5.530 -20.525 -11.090
  227    HB2  ALA  29           HB2      ALA  29  -6.708 -21.778 -11.549
  228    HB3  ALA  29           HB3      ALA  29  -7.264 -20.169 -11.070
  229    H    MET  30           H        MET  30  -7.459 -23.816  -9.897
  230    HA   MET  30           HA       MET  30 -10.248 -23.371  -9.389
  231    HB2  MET  30           HB2      MET  30  -8.679 -25.967  -9.435
  232    HB3  MET  30           HB3      MET  30 -10.433 -25.833  -9.355
  233    HG2  MET  30           HG2      MET  30  -8.698 -24.840 -11.639
  234    HG3  MET  30           HG3      MET  30  -9.653 -26.307 -11.609
  235    HE1  MET  30           HE1      MET  30 -10.868 -22.191 -10.968
  236    HE2  MET  30           HE2      MET  30  -9.393 -22.627 -11.865
  237    HE3  MET  30           HE3      MET  30 -10.852 -22.124 -12.727
  238    H    GLY  31           H        GLY  31  -7.655 -24.684  -7.252
  239    HA2  GLY  31           HA2      GLY  31  -9.220 -25.232  -4.999
  240    HA3  GLY  31           HA3      GLY  31  -7.550 -24.642  -4.951
  241    H    TRP  32           H        TRP  32  -7.625 -22.090  -5.826
  242    HA   TRP  32           HA       TRP  32  -8.732 -20.505  -3.816
  243    HB2  TRP  32           HB2      TRP  32  -7.668 -20.005  -6.578
  244    HB3  TRP  32           HB3      TRP  32  -8.651 -18.749  -5.858
  245    HD1  TRP  32           HD1      TRP  32  -5.230 -20.300  -5.561
  246    HE1  TRP  32           HE1      TRP  32  -3.799 -18.883  -3.991
  247    HE3  TRP  32           HE3      TRP  32  -8.894 -17.317  -3.597
  248    HZ2  TRP  32           HZ2      TRP  32  -4.158 -16.590  -2.248
  249    HZ3  TRP  32           HZ3      TRP  32  -8.330 -15.591  -1.906
  250    HH2  TRP  32           HH2      TRP  32  -5.964 -15.200  -1.251
  251    H    TYR  33           H        TYR  33 -10.042 -21.015  -7.163
  252    HA   TYR  33           HA       TYR  33 -12.320 -19.423  -6.908
  253    HB2  TYR  33           HB2      TYR  33 -11.727 -20.173  -9.066
  254    HB3  TYR  33           HB3      TYR  33 -11.655 -21.856  -8.571
  255    HD1  TYR  33           HD1      TYR  33 -13.975 -19.110  -9.498
  256    HD2  TYR  33           HD2      TYR  33 -13.616 -23.256  -8.375
  257    HE1  TYR  33           HE1      TYR  33 -16.324 -19.505 -10.180
  258    HE2  TYR  33           HE2      TYR  33 -16.004 -23.613  -8.893
  259    HH   TYR  33           HH       TYR  33 -17.963 -22.666  -9.745
  260    H    TYR  34           H        TYR  34 -11.976 -22.926  -6.049
  261    HA   TYR  34           HA       TYR  34 -14.742 -23.347  -5.622
  262    HB2  TYR  34           HB2      TYR  34 -12.332 -24.752  -4.393
  263    HB3  TYR  34           HB3      TYR  34 -13.989 -25.302  -4.220
  264    HD1  TYR  34           HD2      TYR  34 -15.117 -25.051  -6.958
  265    HD2  TYR  34           HD1      TYR  34 -11.265 -26.453  -5.608
  266    HE1  TYR  34           HE2      TYR  34 -14.915 -26.433  -8.992
  267    HE2  TYR  34           HE1      TYR  34 -11.069 -27.870  -7.626
  268    HH   TYR  34           HH       TYR  34 -13.600 -27.951 -10.180
  269    H    TYR  35           H        TYR  35 -12.119 -22.611  -3.190
  270    HA   TYR  35           HA       TYR  35 -14.122 -22.594  -1.112
  271    HB2  TYR  35           HB2      TYR  35 -12.474 -22.482   0.358
  272    HB3  TYR  35           HB3      TYR  35 -11.472 -22.957  -0.992
  273    HD1  TYR  35           HD1      TYR  35 -10.057 -21.217  -2.143
  274    HD2  TYR  35           HD2      TYR  35 -12.313 -20.318   1.412
  275    HE1  TYR  35           HE1      TYR  35  -8.617 -19.243  -1.747
  276    HE2  TYR  35           HE2      TYR  35 -10.907 -18.326   1.816
  277    HH   TYR  35           HH       TYR  35  -9.094 -17.071   1.097
  278    H    LEU  36           H        LEU  36 -12.637 -20.033  -3.139
  279    HA   LEU  36           HA       LEU  36 -13.552 -17.871  -1.551
  280    HB2  LEU  36           HB2      LEU  36 -11.790 -17.950  -3.434
  281    HB3  LEU  36           HB3      LEU  36 -13.131 -17.722  -4.554
  282    HG   LEU  36           HG       LEU  36 -12.177 -15.886  -2.308
  283   HD11  LEU  36          HD11      LEU  36 -12.145 -15.518  -5.333
  284   HD12  LEU  36          HD12      LEU  36 -11.507 -14.383  -4.119
  285   HD13  LEU  36          HD13      LEU  36 -10.749 -15.963  -4.333
  286   HD21  LEU  36          HD21      LEU  36 -14.516 -15.455  -4.205
  287   HD22  LEU  36          HD22      LEU  36 -14.550 -15.505  -2.423
  288   HD23  LEU  36          HD23      LEU  36 -13.750 -14.172  -3.238
  289    H    ASP  37           H        ASP  37 -15.010 -19.335  -4.575
  290    HA   ASP  37           HA       ASP  37 -17.343 -17.700  -4.523
  291    HB2  ASP  37           HB2      ASP  37 -16.605 -19.068  -6.480
  292    HB3  ASP  37           HB3      ASP  37 -17.064 -20.525  -5.607
  293    H    ASP  38           H        ASP  38 -16.694 -20.902  -3.015
  294    HA   ASP  38           HA       ASP  38 -19.291 -21.269  -1.908
  295    HB2  ASP  38           HB2      ASP  38 -17.619 -23.049  -2.025
  296    HB3  ASP  38           HB3      ASP  38 -16.582 -22.185  -0.883
  297    H    THR  39           H        THR  39 -16.712 -19.093  -0.914
  298    HA   THR  39           HA       THR  39 -17.846 -18.692   1.781
  299    HB   THR  39           HB       THR  39 -15.437 -17.447   0.390
  300    HG1  THR  39           HG1      THR  39 -15.071 -19.556   0.752
  301   HG21  THR  39          HG21      THR  39 -16.111 -15.934   2.130
  302   HG22  THR  39          HG22      THR  39 -16.451 -17.259   3.252
  303   HG23  THR  39          HG23      THR  39 -14.774 -16.887   2.788
  304    H    LEU  40           H        LEU  40 -17.809 -17.131  -1.430
  305    HA   LEU  40           HA       LEU  40 -18.606 -14.532  -0.646
  306    HB2  LEU  40           HB2      LEU  40 -19.307 -16.092  -3.148
  307    HB3  LEU  40           HB3      LEU  40 -19.676 -14.385  -2.912
  308    HG   LEU  40           HG       LEU  40 -16.919 -15.611  -3.024
  309   HD11  LEU  40          HD11      LEU  40 -18.338 -13.835  -5.042
  310   HD12  LEU  40          HD12      LEU  40 -16.720 -14.542  -5.205
  311   HD13  LEU  40          HD13      LEU  40 -18.151 -15.589  -5.190
  312   HD21  LEU  40          HD21      LEU  40 -16.127 -13.236  -3.247
  313   HD22  LEU  40          HD22      LEU  40 -17.733 -12.735  -2.683
  314   HD23  LEU  40          HD23      LEU  40 -16.661 -13.735  -1.643
  315    H    GLU  41           H        GLU  41 -20.442 -13.942   0.464
  316    HA   GLU  41           HA       GLU  41 -22.839 -15.604   0.534
  317    HB2  GLU  41           HB2      GLU  41 -22.092 -12.892   1.696
  318    HB3  GLU  41           HB3      GLU  41 -23.688 -13.618   1.920
  319    HG2  GLU  41           HG2      GLU  41 -21.155 -15.123   2.631
  320    HG3  GLU  41           HG3      GLU  41 -21.929 -14.010   3.761
  321    H    PHE  42           H        PHE  42 -22.394 -15.285  -1.983
  322    HA   PHE  42           HA       PHE  42 -23.318 -12.892  -3.218
  323    HB2  PHE  42           HB2      PHE  42 -23.136 -14.065  -5.306
  324    HB3  PHE  42           HB3      PHE  42 -21.771 -14.466  -4.301
  325    HD1  PHE  42           HD2      PHE  42 -25.058 -15.743  -5.578
  326    HD2  PHE  42           HD1      PHE  42 -21.240 -16.786  -3.847
  327    HE1  PHE  42           HE2      PHE  42 -25.524 -18.143  -5.972
  328    HE2  PHE  42           HE1      PHE  42 -21.712 -19.170  -4.245
  329    HZ   PHE  42           HZ       PHE  42 -23.857 -19.867  -5.302
  330    HA   PRO  43           HA       PRO  43 -24.442 -12.287  -5.246
  331    HB2  PRO  43           HB2      PRO  43 -26.486 -10.585  -5.797
  332    HB3  PRO  43           HB3      PRO  43 -26.332 -12.190  -6.574
  333    HG2  PRO  43           HG2      PRO  43 -28.044 -11.439  -4.185
  334    HG3  PRO  43           HG3      PRO  43 -28.522 -12.367  -5.642
  335    HD2  PRO  43           HD2      PRO  43 -27.786 -13.580  -3.294
  336    HD3  PRO  43           HD3      PRO  43 -27.411 -14.301  -4.887
  337    H    PHE  44           H        PHE  44 -23.754 -10.095  -4.948
  338    HA   PHE  44           HA       PHE  44 -24.525  -8.610  -2.531
  339    HB2  PHE  44           HB2      PHE  44 -22.360  -8.486  -1.589
  340    HB3  PHE  44           HB3      PHE  44 -22.785 -10.175  -1.715
  341    HD1  PHE  44           HD1      PHE  44 -21.783 -11.516  -3.756
  342    HD2  PHE  44           HD2      PHE  44 -20.256  -7.734  -2.361
  343    HE1  PHE  44           HE1      PHE  44 -19.607 -12.006  -4.808
  344    HE2  PHE  44           HE2      PHE  44 -18.085  -8.218  -3.447
  345    HZ   PHE  44           HZ       PHE  44 -17.740 -10.368  -4.649
  346    H    MET  45           H        MET  45 -22.511  -6.628  -2.693
  347    HA   MET  45           HA       MET  45 -22.520  -5.850  -5.552
  348    HB2  MET  45           HB2      MET  45 -23.384  -3.734  -5.209
  349    HB3  MET  45           HB3      MET  45 -24.492  -4.808  -4.378
  350    HG2  MET  45           HG2      MET  45 -23.917  -4.024  -2.276
  351    HG3  MET  45           HG3      MET  45 -22.290  -3.560  -2.740
  352    HE1  MET  45           HE1      MET  45 -22.613  -0.120  -4.436
  353    HE2  MET  45           HE2      MET  45 -21.545  -1.450  -3.963
  354    HE3  MET  45           HE3      MET  45 -22.634  -1.644  -5.345
  355    H    GLY  46           H        GLY  46 -21.150  -4.033  -6.048
  356    HA2  GLY  46           HA2      GLY  46 -18.997  -3.352  -4.162
  357    HA3  GLY  46           HA3      GLY  46 -18.515  -4.427  -5.487
  358    H    LYS  47           H        LYS  47 -17.189  -2.307  -5.488
  359    HA   LYS  47           HA       LYS  47 -18.308  -0.669  -7.729
  360    HB2  LYS  47           HB2      LYS  47 -17.694   0.512  -5.478
  361    HB3  LYS  47           HB3      LYS  47 -16.027   0.135  -5.878
  362    HG2  LYS  47           HG2      LYS  47 -16.292   2.309  -6.713
  363    HG3  LYS  47           HG3      LYS  47 -16.530   1.318  -8.155
  364    HD2  LYS  47           HD2      LYS  47 -18.273   2.921  -8.218
  365    HD3  LYS  47           HD3      LYS  47 -19.044   1.438  -7.666
  366    HE2  LYS  47           HE2      LYS  47 -19.100   2.221  -5.379
  367    HE3  LYS  47           HE3      LYS  47 -18.066   3.603  -5.766
  368    HZ1  LYS  47           HZ1      LYS  47 -19.819   4.556  -7.053
  369    HZ2  LYS  47           HZ2      LYS  47 -20.764   3.233  -6.950
  370    HZ3  LYS  47           HZ3      LYS  47 -20.467   4.146  -5.616
  371    H    TRP  48           H        TRP  48 -17.398  -1.205  -9.615
  372    HA   TRP  48           HA       TRP  48 -14.887  -2.756  -9.736
  373    HB2  TRP  48           HB2      TRP  48 -16.838  -3.164 -11.275
  374    HB3  TRP  48           HB3      TRP  48 -16.577  -1.577 -11.971
  375    HD1  TRP  48           HD1      TRP  48 -13.175  -2.555 -11.692
  376    HE1  TRP  48           HE1      TRP  48 -12.264  -3.791 -13.673
  377    HE3  TRP  48           HE3      TRP  48 -17.613  -3.782 -13.953
  378    HZ2  TRP  48           HZ2      TRP  48 -13.300  -5.292 -15.939
  379    HZ3  TRP  48           HZ3      TRP  48 -17.596  -5.132 -16.038
  380    HH2  TRP  48           HH2      TRP  48 -15.446  -5.905 -17.017
  381    H    LYS  49           H        LYS  49 -13.140  -1.599  -9.236
  382    HA   LYS  49           HA       LYS  49 -12.971   1.300  -9.586
  383    HB2  LYS  49           HB2      LYS  49 -10.864  -0.691  -8.607
  384    HB3  LYS  49           HB3      LYS  49 -10.897   1.040  -8.290
  385    HG2  LYS  49           HG2      LYS  49 -12.890  -1.014  -7.213
  386    HG3  LYS  49           HG3      LYS  49 -11.492  -0.436  -6.347
  387    HD2  LYS  49           HD2      LYS  49 -13.699   1.456  -7.274
  388    HD3  LYS  49           HD3      LYS  49 -13.734   0.568  -5.747
  389    HE2  LYS  49           HE2      LYS  49 -11.364   1.534  -5.326
  390    HE3  LYS  49           HE3      LYS  49 -11.758   2.704  -6.597
  391    HZ1  LYS  49           HZ1      LYS  49 -13.620   3.443  -5.281
  392    HZ2  LYS  49           HZ2      LYS  49 -13.375   2.235  -4.149
  393    HZ3  LYS  49           HZ3      LYS  49 -12.295   3.458  -4.327
  394    H    LYS  50           H        LYS  50 -13.287   0.564 -12.042
  395    HA   LYS  50           HA       LYS  50 -11.258  -0.937 -13.390
  396    HB2  LYS  50           HB2      LYS  50 -13.593  -0.728 -14.146
  397    HB3  LYS  50           HB3      LYS  50 -13.367   0.994 -14.462
  398    HG2  LYS  50           HG2      LYS  50 -11.726   0.525 -16.202
  399    HG3  LYS  50           HG3      LYS  50 -11.746  -1.204 -15.829
  400    HD2  LYS  50           HD2      LYS  50 -14.125   0.397 -16.882
  401    HD3  LYS  50           HD3      LYS  50 -13.030  -0.579 -17.875
  402    HE2  LYS  50           HE2      LYS  50 -13.644  -2.599 -16.520
  403    HE3  LYS  50           HE3      LYS  50 -14.820  -1.625 -15.631
  404    HZ1  LYS  50           HZ1      LYS  50 -15.868  -2.838 -17.417
  405    HZ2  LYS  50           HZ2      LYS  50 -15.975  -1.241 -17.746
  406    HZ3  LYS  50           HZ3      LYS  50 -14.894  -2.173 -18.543
  407    H    LYS  51           H        LYS  51  -9.233  -0.330 -13.898
  408    HA   LYS  51           HA       LYS  51  -8.351   2.426 -13.660
  409    HB2  LYS  51           HB2      LYS  51  -7.014   0.014 -14.970
  410    HB3  LYS  51           HB3      LYS  51  -6.281   1.609 -14.765
  411    HG2  LYS  51           HG2      LYS  51  -5.464   0.757 -12.833
  412    HG3  LYS  51           HG3      LYS  51  -7.044   1.193 -12.194
  413    HD2  LYS  51           HD2      LYS  51  -7.738  -1.266 -12.894
  414    HD3  LYS  51           HD3      LYS  51  -6.002  -1.520 -13.068
  415    HE2  LYS  51           HE2      LYS  51  -6.339  -2.199 -10.878
  416    HE3  LYS  51           HE3      LYS  51  -5.833  -0.521 -10.646
  417    HZ1  LYS  51           HZ1      LYS  51  -8.610  -1.571 -10.642
  418    HZ2  LYS  51           HZ2      LYS  51  -7.789  -1.018  -9.328
  419    HZ3  LYS  51           HZ3      LYS  51  -8.289   0.007 -10.520
  420    H    SER  52           H        SER  52  -8.251   3.990 -15.185
  421    HA   SER  52           HA       SER  52 -10.035   3.878 -17.358
  422    HB2  SER  52           HB2      SER  52  -7.791   5.811 -16.668
  423    HB3  SER  52           HB3      SER  52  -9.106   6.149 -17.814
  424    HG   SER  52           HG       SER  52 -10.577   6.016 -16.136
  425    H    ARG  53           H        ARG  53  -9.490   4.475 -19.573
  426    HA   ARG  53           HA       ARG  53  -8.269   2.373 -20.892
  427    HB2  ARG  53           HB2      ARG  53  -8.709   5.121 -22.147
  428    HB3  ARG  53           HB3      ARG  53  -8.657   3.552 -22.933
  429    HG2  ARG  53           HG2      ARG  53 -10.924   3.833 -22.880
  430    HG3  ARG  53           HG3      ARG  53 -10.726   3.032 -21.320
  431    HD2  ARG  53           HD2      ARG  53 -10.532   5.475 -20.357
  432    HD3  ARG  53           HD3      ARG  53 -11.146   5.992 -21.924
  433    HE   ARG  53           HE       ARG  53 -12.976   4.122 -21.246
  434   HH11  ARG  53          HH11      ARG  53 -11.756   6.964 -19.419
  435   HH12  ARG  53          HH12      ARG  53 -13.158   6.964 -18.367
  436   HH21  ARG  53          HH21      ARG  53 -14.828   4.315 -19.811
  437   HH22  ARG  53          HH22      ARG  53 -14.795   5.572 -18.589
  438    H    LYS  54           H        LYS  54  -6.162   1.876 -20.551
  439    HA   LYS  54           HA       LYS  54  -3.936   2.043 -20.246
  440    HB2  LYS  54           HB2      LYS  54  -4.137   3.754 -22.758
  441    HB3  LYS  54           HB3      LYS  54  -2.672   2.970 -22.152
  442    HG2  LYS  54           HG2      LYS  54  -3.756   0.743 -22.399
  443    HG3  LYS  54           HG3      LYS  54  -5.190   1.530 -23.090
  444    HD2  LYS  54           HD2      LYS  54  -3.804   2.454 -24.927
  445    HD3  LYS  54           HD3      LYS  54  -2.369   1.658 -24.243
  446    HE2  LYS  54           HE2      LYS  54  -3.476  -0.553 -24.508
  447    HE3  LYS  54           HE3      LYS  54  -4.902   0.239 -25.191
  448    HZ1  LYS  54           HZ1      LYS  54  -2.195   0.268 -26.398
  449    HZ2  LYS  54           HZ2      LYS  54  -3.456  -0.621 -26.917
  450    HZ3  LYS  54           HZ3      LYS  54  -3.513   1.002 -27.030
  451    H    THR  55           H        THR  55  -5.306   3.859 -18.533
  452    HA   THR  55           HA       THR  55  -3.258   5.977 -18.211
  453    HB   THR  55           HB       THR  55  -5.436   7.396 -17.542
  454    HG1  THR  55           HG1      THR  55  -6.381   5.916 -19.750
  455   HG21  THR  55          HG21      THR  55  -3.749   8.110 -19.189
  456   HG22  THR  55          HG22      THR  55  -4.506   7.084 -20.427
  457   HG23  THR  55          HG23      THR  55  -5.392   8.466 -19.744
  458    H    SER  56           H        SER  56  -2.942   6.650 -16.075
  459    HA   SER  56           HA       SER  56  -3.299   4.641 -14.124
  460    HB2  SER  56           HB2      SER  56  -2.519   7.547 -13.677
  461    HB3  SER  56           HB3      SER  56  -2.050   6.137 -12.710
  462    HG   SER  56           HG       SER  56  -0.391   6.801 -14.150
  463    H    THR  57           H        THR  57  -5.393   7.280 -15.002
  464    HA   THR  57           HA       THR  57  -6.763   7.811 -12.626
  465    HB   THR  57           HB       THR  57  -7.907   7.748 -15.436
  466    HG1  THR  57           HG1      THR  57  -6.908   9.696 -15.795
  467   HG21  THR  57          HG21      THR  57  -9.549   8.492 -13.799
  468   HG22  THR  57          HG22      THR  57  -8.373   9.609 -13.062
  469   HG23  THR  57          HG23      THR  57  -8.993   9.895 -14.704
  470    H    ILE  58           H        ILE  58  -9.051   7.117 -12.128
  471    HA   ILE  58           HA       ILE  58  -9.643   4.286 -12.834
  472    HB   ILE  58           HB       ILE  58  -9.557   5.582 -10.090
  473   HG12  ILE  58          HG12      ILE  58  -8.128   3.234 -11.407
  474   HG13  ILE  58          HG13      ILE  58  -7.421   4.751 -10.850
  475   HG21  ILE  58          HG21      ILE  58 -10.510   3.471  -9.185
  476   HG22  ILE  58          HG22      ILE  58 -11.647   4.307 -10.214
  477   HG23  ILE  58          HG23      ILE  58 -10.770   2.906 -10.855
  478   HD11  ILE  58          HD11      ILE  58  -8.008   4.083  -8.489
  479   HD12  ILE  58          HD12      ILE  58  -8.478   2.485  -9.132
  480   HD13  ILE  58          HD13      ILE  58  -6.810   3.049  -9.298
  481    H    GLU  59           H        GLU  59 -11.677   3.803 -13.122
  482    HA   GLU  59           HA       GLU  59 -13.809   5.877 -12.981
  483    HB2  GLU  59           HB2      GLU  59 -13.464   3.355 -14.677
  484    HB3  GLU  59           HB3      GLU  59 -14.976   4.247 -14.579
  485    HG2  GLU  59           HG2      GLU  59 -12.399   5.576 -15.514
  486    HG3  GLU  59           HG3      GLU  59 -13.412   4.632 -16.590
  487    H    GLU  60           H        GLU  60 -15.646   5.193 -11.785
  488    HA   GLU  60           HA       GLU  60 -15.276   2.732 -10.123
  489    HB2  GLU  60           HB2      GLU  60 -16.159   5.536  -9.315
  490    HB3  GLU  60           HB3      GLU  60 -16.314   4.102  -8.298
  491    HG2  GLU  60           HG2      GLU  60 -13.821   3.748  -8.518
  492    HG3  GLU  60           HG3      GLU  60 -13.729   5.311  -9.340
  493    H    LYS  61           H        LYS  61 -16.636   1.443 -11.298
  494    HA   LYS  61           HA       LYS  61 -19.361   2.467 -11.983
  495    HB2  LYS  61           HB2      LYS  61 -18.088   1.461 -13.801
  496    HB3  LYS  61           HB3      LYS  61 -17.823  -0.010 -12.857
  497    HG2  LYS  61           HG2      LYS  61 -20.199  -0.533 -12.872
  498    HG3  LYS  61           HG3      LYS  61 -20.586   0.986 -13.669
  499    HD2  LYS  61           HD2      LYS  61 -18.711  -1.091 -14.895
  500    HD3  LYS  61           HD3      LYS  61 -20.448  -1.187 -15.106
  501    HE2  LYS  61           HE2      LYS  61 -18.722   1.192 -15.941
  502    HE3  LYS  61           HE3      LYS  61 -19.294  -0.087 -17.018
  503    HZ1  LYS  61           HZ1      LYS  61 -21.576   0.565 -16.493
  504    HZ2  LYS  61           HZ2      LYS  61 -21.056   1.772 -15.535
  505    HZ3  LYS  61           HZ3      LYS  61 -20.741   1.827 -17.145
  506    H    THR  62           H        THR  62 -20.947   2.053 -10.472
  507    HA   THR  62           HA       THR  62 -20.581   0.121  -8.376
  508    HB   THR  62           HB       THR  62 -23.210   1.355  -9.273
  509    HG1  THR  62           HG1      THR  62 -22.600   3.237  -8.499
  510   HG21  THR  62          HG21      THR  62 -22.032   0.770  -6.515
  511   HG22  THR  62          HG22      THR  62 -23.670   1.379  -6.855
  512   HG23  THR  62          HG23      THR  62 -23.212  -0.259  -7.349
  513    H    VAL  63           H        VAL  63 -21.094  -1.993  -8.337
  514    HA   VAL  63           HA       VAL  63 -22.717  -3.132 -10.570
  515    HB   VAL  63           HB       VAL  63 -21.050  -4.946 -10.771
  516   HG11  VAL  63          HG11      VAL  63 -21.096  -3.038 -12.370
  517   HG12  VAL  63          HG12      VAL  63 -19.828  -2.242 -11.410
  518   HG13  VAL  63          HG13      VAL  63 -19.498  -3.785 -12.205
  519   HG21  VAL  63          HG21      VAL  63 -19.832  -4.695  -8.612
  520   HG22  VAL  63          HG22      VAL  63 -18.742  -4.666 -10.003
  521   HG23  VAL  63          HG23      VAL  63 -19.159  -3.152  -9.183
  522    H    GLU  64           H        GLU  64 -23.762  -5.070 -10.164
  523    HA   GLU  64           HA       GLU  64 -23.928  -5.933  -7.300
  524    HB2  GLU  64           HB2      GLU  64 -26.104  -5.408  -8.343
  525    HB3  GLU  64           HB3      GLU  64 -25.756  -6.520  -9.672
  526    HG2  GLU  64           HG2      GLU  64 -25.703  -8.412  -8.061
  527    HG3  GLU  64           HG3      GLU  64 -25.985  -7.284  -6.731
  528    H    VAL  65           H        VAL  65 -22.992  -7.903  -6.881
  529    HA   VAL  65           HA       VAL  65 -21.512  -9.191  -9.118
  530    HB   VAL  65           HB       VAL  65 -20.926  -9.290  -6.133
  531   HG11  VAL  65          HG11      VAL  65 -19.946 -11.124  -7.480
  532   HG12  VAL  65          HG12      VAL  65 -19.303  -9.932  -8.633
  533   HG13  VAL  65          HG13      VAL  65 -18.670 -10.004  -6.979
  534   HG21  VAL  65          HG21      VAL  65 -19.707  -7.434  -8.228
  535   HG22  VAL  65          HG22      VAL  65 -20.680  -6.939  -6.828
  536   HG23  VAL  65          HG23      VAL  65 -19.098  -7.669  -6.577
  537    H    LEU  66           H        LEU  66 -22.417 -10.998  -9.813
  538    HA   LEU  66           HA       LEU  66 -24.715 -12.113  -8.424
  539    HB2  LEU  66           HB2      LEU  66 -23.323 -12.659 -11.069
  540    HB3  LEU  66           HB3      LEU  66 -24.616 -13.689 -10.480
  541    HG   LEU  66           HG       LEU  66 -26.200 -11.826 -10.472
  542   HD11  LEU  66          HD11      LEU  66 -24.798  -9.859 -10.124
  543   HD12  LEU  66          HD12      LEU  66 -23.923 -10.169 -11.644
  544   HD13  LEU  66          HD13      LEU  66 -25.637  -9.701 -11.660
  545   HD21  LEU  66          HD21      LEU  66 -26.378 -11.596 -12.933
  546   HD22  LEU  66          HD22      LEU  66 -24.704 -12.156 -13.113
  547   HD23  LEU  66          HD23      LEU  66 -25.948 -13.250 -12.475
  548    H    GLY  67           H        GLY  67 -21.330 -13.110  -8.926
  549    HA2  GLY  67           HA2      GLY  67 -20.904 -14.950  -6.994
  550    HA3  GLY  67           HA3      GLY  67 -21.749 -15.885  -8.252
  551    H    MET  68           H        MET  68 -19.186 -16.659  -7.900
  552    HA   MET  68           HA       MET  68 -17.310 -15.193  -9.549
  553    HB2  MET  68           HB2      MET  68 -17.232 -18.056  -8.588
  554    HB3  MET  68           HB3      MET  68 -15.971 -17.248  -9.527
  555    HG2  MET  68           HG2      MET  68 -16.174 -15.381  -7.646
  556    HG3  MET  68           HG3      MET  68 -16.858 -16.699  -6.707
  557    HE1  MET  68           HE1      MET  68 -13.834 -15.014  -8.295
  558    HE2  MET  68           HE2      MET  68 -12.549 -16.237  -8.241
  559    HE3  MET  68           HE3      MET  68 -13.896 -16.428  -9.371
  560    H    ALA  69           H        ALA  69 -16.458 -15.792 -11.551
  561    HA   ALA  69           HA       ALA  69 -18.490 -16.209 -13.557
  562    HB1  ALA  69           HB1      ALA  69 -16.712 -15.551 -15.059
  563    HB2  ALA  69           HB2      ALA  69 -16.484 -14.619 -13.596
  564    HB3  ALA  69           HB3      ALA  69 -15.471 -16.054 -13.900
  565    HA   PRO  70           HA       PRO  70 -17.870 -20.514 -14.861
  566    HB2  PRO  70           HB2      PRO  70 -16.362 -19.456 -17.256
  567    HB3  PRO  70           HB3      PRO  70 -17.567 -20.785 -17.177
  568    HG2  PRO  70           HG2      PRO  70 -18.354 -18.351 -18.025
  569    HG3  PRO  70           HG3      PRO  70 -19.365 -19.218 -16.819
  570    HD2  PRO  70           HD2      PRO  70 -17.328 -17.042 -16.366
  571    HD3  PRO  70           HD3      PRO  70 -18.974 -17.182 -15.668
  572    H    ASP  71           H        ASP  71 -16.422 -22.127 -14.609
  573    HA   ASP  71           HA       ASP  71 -14.135 -21.785 -13.108
  574    HB2  ASP  71           HB2      ASP  71 -14.804 -24.050 -15.042
  575    HB3  ASP  71           HB3      ASP  71 -13.549 -24.115 -13.815
  576    H    ASP  72           H        ASP  72 -14.459 -21.983 -16.646
  577    HA   ASP  72           HA       ASP  72 -11.627 -22.191 -17.228
  578    HB2  ASP  72           HB2      ASP  72 -13.355 -22.941 -18.802
  579    HB3  ASP  72           HB3      ASP  72 -14.004 -21.304 -18.919
  580    H    GLU  73           H        GLU  73 -13.737 -19.413 -16.554
  581    HA   GLU  73           HA       GLU  73 -11.685 -17.575 -17.536
  582    HB2  GLU  73           HB2      GLU  73 -14.408 -17.183 -16.388
  583    HB3  GLU  73           HB3      GLU  73 -13.220 -15.904 -16.122
  584    HG2  GLU  73           HG2      GLU  73 -13.818 -17.061 -18.874
  585    HG3  GLU  73           HG3      GLU  73 -14.636 -15.658 -18.201
  586    H    CYS  74           H        CYS  74 -12.892 -18.897 -14.474
  587    HA   CYS  74           HA       CYS  74 -11.126 -17.343 -12.828
  588    HB2  CYS  74           HB2      CYS  74 -12.734 -19.840 -12.192
  589    HB3  CYS  74           HB3      CYS  74 -11.941 -18.771 -11.016
  590    HG   CYS  74           HG       CYS  74 -14.419 -18.232 -13.116
  591    H    LEU  75           H        LEU  75 -10.194 -19.513 -14.971
  592    HA   LEU  75           HA       LEU  75  -8.609 -21.377 -13.482
  593    HB2  LEU  75           HB2      LEU  75  -9.928 -21.624 -15.692
  594    HB3  LEU  75           HB3      LEU  75  -8.624 -20.737 -16.464
  595    HG   LEU  75           HG       LEU  75  -7.087 -22.529 -16.003
  596   HD11  LEU  75          HD11      LEU  75  -7.933 -24.700 -14.967
  597   HD12  LEU  75          HD12      LEU  75  -7.774 -23.371 -13.819
  598   HD13  LEU  75          HD13      LEU  75  -9.380 -23.809 -14.452
  599   HD21  LEU  75          HD21      LEU  75  -8.105 -24.286 -17.369
  600   HD22  LEU  75          HD22      LEU  75  -9.725 -23.636 -17.028
  601   HD23  LEU  75          HD23      LEU  75  -8.563 -22.687 -17.979
  602    H    LYS  76           H        LYS  76  -8.062 -18.157 -14.328
  603    HA   LYS  76           HA       LYS  76  -5.097 -18.483 -14.297
  604    HB2  LYS  76           HB2      LYS  76  -4.862 -17.019 -16.180
  605    HB3  LYS  76           HB3      LYS  76  -5.975 -18.307 -16.624
  606    HG2  LYS  76           HG2      LYS  76  -7.862 -16.575 -15.960
  607    HG3  LYS  76           HG3      LYS  76  -6.567 -15.386 -16.020
  608    HD2  LYS  76           HD2      LYS  76  -7.624 -15.288 -18.140
  609    HD3  LYS  76           HD3      LYS  76  -6.099 -16.134 -18.400
  610    HE2  LYS  76           HE2      LYS  76  -7.795 -17.307 -19.645
  611    HE3  LYS  76           HE3      LYS  76  -7.349 -18.324 -18.275
  612    HZ1  LYS  76           HZ1      LYS  76  -9.690 -18.331 -18.393
  613    HZ2  LYS  76           HZ2      LYS  76  -9.373 -17.334 -17.139
  614    HZ3  LYS  76           HZ3      LYS  76  -9.825 -16.702 -18.582
  615    H    ASP  77           H        ASP  77  -7.918 -16.539 -13.512
  616    HA   ASP  77           HA       ASP  77  -6.535 -14.883 -11.575
  617    HB2  ASP  77           HB2      ASP  77  -6.073 -13.607 -13.636
  618    HB3  ASP  77           HB3      ASP  77  -7.759 -13.727 -14.122
  619    H    MET  78           H        MET  78  -8.404 -13.646 -10.393
  620    HA   MET  78           HA       MET  78 -10.703 -15.538 -10.291
  621    HB2  MET  78           HB2      MET  78  -9.858 -13.264  -8.467
  622    HB3  MET  78           HB3      MET  78 -11.293 -14.253  -8.227
  623    HG2  MET  78           HG2      MET  78  -8.425 -15.273  -8.220
  624    HG3  MET  78           HG3      MET  78  -9.424 -14.949  -6.814
  625    HE1  MET  78           HE1      MET  78  -9.224 -17.279 -10.091
  626    HE2  MET  78           HE2      MET  78  -7.965 -17.633  -8.884
  627    HE3  MET  78           HE3      MET  78  -9.252 -18.814  -9.205
  628    H    TYR  79           H        TYR  79 -12.669 -15.046 -11.196
  629    HA   TYR  79           HA       TYR  79 -13.252 -12.225 -11.963
  630    HB2  TYR  79           HB2      TYR  79 -13.597 -14.805 -13.533
  631    HB3  TYR  79           HB3      TYR  79 -14.374 -13.296 -13.965
  632    HD1  TYR  79           HD2      TYR  79 -13.071 -11.367 -14.825
  633    HD2  TYR  79           HD1      TYR  79 -11.271 -15.207 -14.058
  634    HE1  TYR  79           HE2      TYR  79 -11.206 -10.785 -16.337
  635    HE2  TYR  79           HE1      TYR  79  -9.405 -14.644 -15.567
  636    HH   TYR  79           HH       TYR  79  -9.194 -11.499 -17.300
  637    H    VAL  80           H        VAL  80 -15.488 -11.711 -12.078
  638    HA   VAL  80           HA       VAL  80 -17.410 -13.661 -10.900
  639    HB   VAL  80           HB       VAL  80 -18.342 -11.655  -9.667
  640   HG11  VAL  80          HG11      VAL  80 -15.629 -12.702  -8.780
  641   HG12  VAL  80          HG12      VAL  80 -16.788 -11.826  -7.754
  642   HG13  VAL  80          HG13      VAL  80 -17.229 -13.386  -8.418
  643   HG21  VAL  80          HG21      VAL  80 -16.864  -9.794  -9.087
  644   HG22  VAL  80          HG22      VAL  80 -15.569 -10.442 -10.104
  645   HG23  VAL  80          HG23      VAL  80 -17.077  -9.854 -10.840
  646    H    GLU  81           H        GLU  81 -19.572 -13.389 -11.516
  647    HA   GLU  81           HA       GLU  81 -20.007 -11.935 -14.069
  648    HB2  GLU  81           HB2      GLU  81 -21.748 -13.745 -12.337
  649    HB3  GLU  81           HB3      GLU  81 -22.379 -12.801 -13.700
  650    HG2  GLU  81           HG2      GLU  81 -20.739 -13.915 -15.212
  651    HG3  GLU  81           HG3      GLU  81 -20.191 -14.907 -13.862
  652    H    VAL  82           H        VAL  82 -21.183 -10.024 -14.150
  653    HA   VAL  82           HA       VAL  82 -21.926  -8.768 -11.586
  654    HB   VAL  82           HB       VAL  82 -19.468  -8.428 -13.092
  655   HG11  VAL  82          HG11      VAL  82 -21.019  -5.840 -12.965
  656   HG12  VAL  82          HG12      VAL  82 -19.293  -6.035 -13.345
  657   HG13  VAL  82          HG13      VAL  82 -20.513  -6.723 -14.429
  658   HG21  VAL  82          HG21      VAL  82 -20.504  -7.112 -10.577
  659   HG22  VAL  82          HG22      VAL  82 -19.552  -8.601 -10.706
  660   HG23  VAL  82          HG23      VAL  82 -18.826  -7.052 -11.162
  661    H    ALA  83           H        ALA  83 -23.466  -7.198 -11.783
  662    HA   ALA  83           HA       ALA  83 -24.535  -6.649 -14.527
  663    HB1  ALA  83           HB1      ALA  83 -26.718  -6.305 -13.536
  664    HB2  ALA  83           HB2      ALA  83 -26.122  -7.923 -13.116
  665    HB3  ALA  83           HB3      ALA  83 -26.069  -6.621 -11.908
  666    H    ASP  84           H        ASP  84 -24.832  -4.526 -15.105
  667    HA   ASP  84           HA       ASP  84 -23.105  -2.648 -13.677
  668    HB2  ASP  84           HB2      ASP  84 -23.004  -3.089 -16.127
  669    HB3  ASP  84           HB3      ASP  84 -24.635  -2.429 -16.295
  670    H    ILE  85           H        ILE  85 -24.872  -2.853 -11.877
  671    HA   ILE  85           HA       ILE  85 -27.314  -1.462 -12.138
  672    HB   ILE  85           HB       ILE  85 -27.391  -1.380  -9.730
  673   HG12  ILE  85          HG12      ILE  85 -24.491  -2.257  -9.725
  674   HG13  ILE  85          HG13      ILE  85 -25.062  -0.658  -9.262
  675   HG21  ILE  85          HG21      ILE  85 -26.090  -4.019 -10.515
  676   HG22  ILE  85          HG22      ILE  85 -27.395  -3.728  -9.341
  677   HG23  ILE  85          HG23      ILE  85 -27.703  -3.539 -11.064
  678   HD11  ILE  85          HD11      ILE  85 -25.729  -3.249  -7.803
  679   HD12  ILE  85          HD12      ILE  85 -24.615  -2.001  -7.267
  680   HD13  ILE  85          HD13      ILE  85 -26.349  -1.636  -7.384
  681    H    GLY  86           H        GLY  86 -24.150  -0.132 -12.125
  682    HA2  GLY  86           HA2      GLY  86 -24.912   2.549 -11.234
  683    HA3  GLY  86           HA3      GLY  86 -23.347   2.003 -11.852
  684    H    GLY  87           H        GLY  87 -25.127   0.807 -14.249
  685    HA2  GLY  87           HA2      GLY  87 -25.262   3.378 -15.810
  686    HA3  GLY  87           HA3      GLY  87 -24.307   1.963 -16.290
  687    H    LYS  88           H        LYS  88 -26.060  -0.118 -15.771
  688    HA   LYS  88           HA       LYS  88 -28.497   0.147 -17.306
  689    HB2  LYS  88           HB2      LYS  88 -27.560  -1.476 -19.112
  690    HB3  LYS  88           HB3      LYS  88 -27.399   0.269 -19.257
  691    HG2  LYS  88           HG2      LYS  88 -25.049   0.126 -18.412
  692    HG3  LYS  88           HG3      LYS  88 -25.201  -1.649 -18.395
  693    HD2  LYS  88           HD2      LYS  88 -25.404  -1.721 -20.769
  694    HD3  LYS  88           HD3      LYS  88 -25.788  -0.001 -20.871
  695    HE2  LYS  88           HE2      LYS  88 -23.478  -0.498 -21.646
  696    HE3  LYS  88           HE3      LYS  88 -23.550   0.671 -20.324
  697    HZ1  LYS  88           HZ1      LYS  88 -22.859  -1.024 -18.788
  698    HZ2  LYS  88           HZ2      LYS  88 -22.942  -2.194 -19.964
  699    HZ3  LYS  88           HZ3      LYS  88 -21.807  -1.012 -20.044
  700    H    ASP  89           H        ASP  89 -28.881  -0.624 -15.131
  701    HA   ASP  89           HA       ASP  89 -28.029  -2.900 -13.854
  702    HB2  ASP  89           HB2      ASP  89 -29.526  -1.405 -12.761
  703    HB3  ASP  89           HB3      ASP  89 -30.714  -1.507 -14.053
  704    H    ASP  90           H        ASP  90 -30.188  -2.714 -16.637
  705    HA   ASP  90           HA       ASP  90 -31.361  -5.298 -16.469
  706    HB2  ASP  90           HB2      ASP  90 -32.300  -3.379 -17.719
  707    HB3  ASP  90           HB3      ASP  90 -30.938  -3.435 -18.840
  708    H    ASP  91           H        ASP  91 -28.098  -4.456 -17.343
  709    HA   ASP  91           HA       ASP  91 -27.856  -6.990 -18.899
  710    HB2  ASP  91           HB2      ASP  91 -27.560  -4.626 -20.085
  711    HB3  ASP  91           HB3      ASP  91 -25.946  -4.750 -19.373
  712    H    VAL  92           H        VAL  92 -25.831  -8.015 -18.888
  713    HA   VAL  92           HA       VAL  92 -24.395  -7.812 -16.300
  714    HB   VAL  92           HB       VAL  92 -25.559 -10.339 -17.541
  715   HG11  VAL  92          HG11      VAL  92 -23.577 -10.725 -16.046
  716   HG12  VAL  92          HG12      VAL  92 -24.491  -9.967 -14.720
  717   HG13  VAL  92          HG13      VAL  92 -25.070 -11.463 -15.472
  718   HG21  VAL  92          HG21      VAL  92 -26.671  -8.684 -15.248
  719   HG22  VAL  92          HG22      VAL  92 -27.469  -9.064 -16.787
  720   HG23  VAL  92          HG23      VAL  92 -27.175 -10.346 -15.620
  721    H    TYR  93           H        TYR  93 -22.288  -8.557 -16.327
  722    HA   TYR  93           HA       TYR  93 -20.980  -9.353 -18.862
  723    HB2  TYR  93           HB2      TYR  93 -20.091  -7.062 -17.051
  724    HB3  TYR  93           HB3      TYR  93 -19.351  -7.556 -18.566
  725    HD1  TYR  93           HD2      TYR  93 -20.464  -7.072 -20.748
  726    HD2  TYR  93           HD1      TYR  93 -22.093  -5.667 -17.004
  727    HE1  TYR  93           HE2      TYR  93 -21.922  -5.496 -21.981
  728    HE2  TYR  93           HE1      TYR  93 -23.580  -4.111 -18.232
  729    HH   TYR  93           HH       TYR  93 -23.590  -3.880 -21.811
  730    H    THR  94           H        THR  94 -18.392  -9.325 -17.933
  731    HA   THR  94           HA       THR  94 -18.378 -10.765 -15.333
  732    HB   THR  94           HB       THR  94 -16.616 -11.336 -17.751
  733    HG1  THR  94           HG1      THR  94 -18.721 -12.127 -17.985
  734   HG21  THR  94          HG21      THR  94 -15.398 -11.776 -15.672
  735   HG22  THR  94          HG22      THR  94 -16.772 -12.688 -15.018
  736   HG23  THR  94          HG23      THR  94 -15.864 -13.308 -16.417
  737    H    ALA  95           H        ALA  95 -16.721 -10.108 -13.974
  738    HA   ALA  95           HA       ALA  95 -14.971  -7.871 -14.863
  739    HB1  ALA  95           HB1      ALA  95 -15.424  -6.688 -12.761
  740    HB2  ALA  95           HB2      ALA  95 -16.939  -6.920 -13.657
  741    HB3  ALA  95           HB3      ALA  95 -16.567  -7.959 -12.266
  742    H    LYS  96           H        LYS  96 -13.056  -7.669 -13.612
  743    HA   LYS  96           HA       LYS  96 -11.927 -10.208 -12.664
  744    HB2  LYS  96           HB2      LYS  96 -10.963  -7.327 -12.688
  745    HB3  LYS  96           HB3      LYS  96  -9.969  -8.677 -12.160
  746    HG2  LYS  96           HG2      LYS  96  -9.668  -9.488 -14.318
  747    HG3  LYS  96           HG3      LYS  96 -11.133  -8.744 -14.958
  748    HD2  LYS  96           HD2      LYS  96  -8.832  -7.019 -13.974
  749    HD3  LYS  96           HD3      LYS  96  -8.826  -7.712 -15.603
  750    HE2  LYS  96           HE2      LYS  96 -10.827  -6.598 -16.247
  751    HE3  LYS  96           HE3      LYS  96 -11.215  -6.116 -14.593
  752    HZ1  LYS  96           HZ1      LYS  96 -10.186  -4.405 -16.171
  753    HZ2  LYS  96           HZ2      LYS  96  -9.674  -4.436 -14.633
  754    HZ3  LYS  96           HZ3      LYS  96  -8.752  -5.104 -15.843
  755    H    LEU  97           H        LEU  97 -12.151 -10.858 -10.517
  756    HA   LEU  97           HA       LEU  97 -13.493  -9.186  -8.563
  757    HB2  LEU  97           HB2      LEU  97 -13.490 -11.683  -8.499
  758    HB3  LEU  97           HB3      LEU  97 -11.751 -11.662  -8.189
  759    HG   LEU  97           HG       LEU  97 -12.101 -10.536  -6.032
  760   HD11  LEU  97          HD11      LEU  97 -14.467 -10.306  -5.145
  761   HD12  LEU  97          HD12      LEU  97 -14.070  -9.166  -6.421
  762   HD13  LEU  97          HD13      LEU  97 -15.060 -10.597  -6.787
  763   HD21  LEU  97          HD21      LEU  97 -13.928 -12.953  -6.384
  764   HD22  LEU  97          HD22      LEU  97 -12.162 -13.003  -6.178
  765   HD23  LEU  97          HD23      LEU  97 -13.181 -12.399  -4.871
  766    H    SER  98           H        SER  98 -10.146  -9.992  -9.393
  767    HA   SER  98           HA       SER  98  -8.581  -8.582  -7.670
  768    HB2  SER  98           HB2      SER  98  -8.249  -8.819 -10.689
  769    HB3  SER  98           HB3      SER  98  -6.977  -8.795  -9.460
  770    HG   SER  98           HG       SER  98  -7.658 -10.977 -10.301
  771    H    ASP  99           H        ASP  99 -10.921  -7.109  -9.812
  772    HA   ASP  99           HA       ASP  99  -9.575  -4.473  -9.558
  773    HB2  ASP  99           HB2      ASP  99  -9.653  -5.644 -11.849
  774    HB3  ASP  99           HB3      ASP  99 -11.402  -5.358 -11.807
  775    H    ILE 100           H        ILE 100 -11.739  -6.022  -7.989
  776    HA   ILE 100           HA       ILE 100 -13.798  -3.865  -7.968
  777    HB   ILE 100           HB       ILE 100 -13.995  -6.827  -8.054
  778   HG12  ILE 100          HG12      ILE 100 -15.907  -4.578  -8.808
  779   HG13  ILE 100          HG13      ILE 100 -14.635  -5.212  -9.871
  780   HG21  ILE 100          HG21      ILE 100 -14.888  -6.499  -5.766
  781   HG22  ILE 100          HG22      ILE 100 -16.079  -5.342  -6.414
  782   HG23  ILE 100          HG23      ILE 100 -16.105  -7.051  -6.894
  783   HD11  ILE 100          HD11      ILE 100 -17.094  -6.689  -8.876
  784   HD12  ILE 100          HD12      ILE 100 -16.721  -6.164 -10.522
  785   HD13  ILE 100          HD13      ILE 100 -15.752  -7.455  -9.774
  786    H    GLU 101           H        GLU 101 -14.699  -3.321  -6.089
  787    HA   GLU 101           HA       GLU 101 -13.267  -3.958  -3.549
  788    HB2  GLU 101           HB2      GLU 101 -12.742  -1.689  -4.279
  789    HB3  GLU 101           HB3      GLU 101 -14.455  -1.336  -4.560
  790    HG2  GLU 101           HG2      GLU 101 -14.949  -1.458  -2.192
  791    HG3  GLU 101           HG3      GLU 101 -13.344  -2.101  -1.839
  792    H    ALA 102           H        ALA 102 -14.636  -5.052  -2.231
  793    HA   ALA 102           HA       ALA 102 -17.434  -5.415  -3.027
  794    HB1  ALA 102           HB1      ALA 102 -17.498  -7.030  -1.218
  795    HB2  ALA 102           HB2      ALA 102 -16.010  -7.268  -2.154
  796    HB3  ALA 102           HB3      ALA 102 -15.944  -6.457  -0.573
  797    H    ILE 103           H        ILE 103 -19.197  -4.559  -2.038
  798    HA   ILE 103           HA       ILE 103 -18.821  -2.705   0.280
  799    HB   ILE 103           HB       ILE 103 -20.288  -2.343  -2.342
  800   HG12  ILE 103          HG12      ILE 103 -18.198  -0.598  -0.955
  801   HG13  ILE 103          HG13      ILE 103 -17.828  -1.774  -2.216
  802   HG21  ILE 103          HG21      ILE 103 -21.201  -0.203  -1.492
  803   HG22  ILE 103          HG22      ILE 103 -21.817  -1.549  -0.569
  804   HG23  ILE 103          HG23      ILE 103 -20.518  -0.542   0.113
  805   HD11  ILE 103          HD11      ILE 103 -17.910   0.370  -3.215
  806   HD12  ILE 103          HD12      ILE 103 -19.301  -0.582  -3.794
  807   HD13  ILE 103          HD13      ILE 103 -19.523   0.704  -2.576
  808    H    ASP 104           H        ASP 104 -20.316  -2.805   1.846
  809    HA   ASP 104           HA       ASP 104 -21.978  -3.534   3.138
  810    HB2  ASP 104           HB2      ASP 104 -23.153  -2.012   1.598
  811    HB3  ASP 104           HB3      ASP 104 -23.607  -3.383   0.586
  812    H    VAL 105           H        VAL 105 -20.313  -5.625   2.282
  813    HA   VAL 105           HA       VAL 105 -22.214  -7.916   2.191
  814    HB   VAL 105           HB       VAL 105 -20.580  -7.461   0.267
  815   HG11  VAL 105          HG11      VAL 105 -18.556  -8.698   2.152
  816   HG12  VAL 105          HG12      VAL 105 -18.347  -8.391   0.424
  817   HG13  VAL 105          HG13      VAL 105 -18.526  -7.032   1.542
  818   HG21  VAL 105          HG21      VAL 105 -21.933  -9.495   0.587
  819   HG22  VAL 105          HG22      VAL 105 -20.395  -9.760  -0.234
  820   HG23  VAL 105          HG23      VAL 105 -20.589 -10.235   1.465
  821    H    ASP 106           H        ASP 106 -21.283  -9.962   3.238
  822    HA   ASP 106           HA       ASP 106 -20.968  -9.457   6.045
  823    HB2  ASP 106           HB2      ASP 106 -22.115 -11.449   5.105
  824    HB3  ASP 106           HB3      ASP 106 -20.565 -12.000   4.438
  825    H    ASP 107           H        ASP 107 -19.229 -10.080   7.360
  826    HA   ASP 107           HA       ASP 107 -16.671  -9.103   6.648
  827    HB2  ASP 107           HB2      ASP 107 -17.482  -9.251   8.953
  828    HB3  ASP 107           HB3      ASP 107 -17.517 -11.013   8.857
  829    H    ASP 108           H        ASP 108 -17.897 -12.521   6.552
  830    HA   ASP 108           HA       ASP 108 -15.213 -13.510   6.112
  831    HB2  ASP 108           HB2      ASP 108 -17.246 -14.758   7.102
  832    HB3  ASP 108           HB3      ASP 108 -17.766 -14.990   5.426
  833    H    THR 109           H        THR 109 -17.793 -12.324   4.044
  834    HA   THR 109           HA       THR 109 -16.713 -13.365   1.510
  835    HB   THR 109           HB       THR 109 -18.730 -11.150   2.140
  836    HG1  THR 109           HG1      THR 109 -19.208 -13.433   2.681
  837   HG21  THR 109          HG21      THR 109 -19.405 -11.786  -0.314
  838   HG22  THR 109          HG22      THR 109 -18.023 -10.693  -0.059
  839   HG23  THR 109          HG23      THR 109 -17.749 -12.393  -0.412
  840    H    GLN 110           H        GLN 110 -16.787 -10.193   3.273
  841    HA   GLN 110           HA       GLN 110 -15.176  -8.807   1.458
  842    HB2  GLN 110           HB2      GLN 110 -16.568  -8.070   3.602
  843    HB3  GLN 110           HB3      GLN 110 -15.027  -8.240   4.434
  844    HG2  GLN 110           HG2      GLN 110 -15.655  -6.460   2.033
  845    HG3  GLN 110           HG3      GLN 110 -15.468  -5.924   3.695
  846   HE21  GLN 110          HE22      GLN 110 -13.822  -6.354   0.737
  847   HE22  GLN 110          HE21      GLN 110 -12.187  -6.246   1.336
  848    H    GLU 111           H        GLU 111 -14.187 -10.713   4.380
  849    HA   GLU 111           HA       GLU 111 -11.411 -10.231   4.104
  850    HB2  GLU 111           HB2      GLU 111 -13.045 -12.417   5.437
  851    HB3  GLU 111           HB3      GLU 111 -11.291 -12.481   5.429
  852    HG2  GLU 111           HG2      GLU 111 -12.896 -10.122   6.518
  853    HG3  GLU 111           HG3      GLU 111 -12.248 -11.440   7.492
  854    H    ALA 112           H        ALA 112 -13.466 -12.796   2.569
  855    HA   ALA 112           HA       ALA 112 -11.235 -14.287   1.567
  856    HB1  ALA 112           HB1      ALA 112 -13.524 -15.193   1.635
  857    HB2  ALA 112           HB2      ALA 112 -14.053 -14.007   0.419
  858    HB3  ALA 112           HB3      ALA 112 -12.866 -15.256  -0.008
  859    H    ILE 113           H        ILE 113 -13.138 -11.579   0.202
  860    HA   ILE 113           HA       ILE 113 -11.759 -11.505  -2.322
  861    HB   ILE 113           HB       ILE 113 -13.428  -9.441  -0.822
  862   HG12  ILE 113          HG12      ILE 113 -14.212 -11.284  -3.132
  863   HG13  ILE 113          HG13      ILE 113 -14.535 -11.669  -1.462
  864   HG21  ILE 113          HG21      ILE 113 -12.533  -9.453  -3.743
  865   HG22  ILE 113          HG22      ILE 113 -13.705  -8.319  -3.039
  866   HG23  ILE 113          HG23      ILE 113 -12.036  -8.294  -2.497
  867   HD11  ILE 113          HD11      ILE 113 -15.856  -9.554  -1.233
  868   HD12  ILE 113          HD12      ILE 113 -15.708  -9.348  -3.002
  869   HD13  ILE 113          HD13      ILE 113 -16.529 -10.766  -2.335
  870    H    ALA 114           H        ALA 114 -11.377  -9.658   0.764
  871    HA   ALA 114           HA       ALA 114  -9.248  -8.001  -0.082
  872    HB1  ALA 114           HB1      ALA 114  -9.816  -9.126   2.697
  873    HB2  ALA 114           HB2      ALA 114  -8.788  -7.731   2.317
  874    HB3  ALA 114           HB3      ALA 114 -10.532  -7.650   2.009
  875    H    ASP 115           H        ASP 115  -9.222 -11.298   1.365
  876    HA   ASP 115           HA       ASP 115  -6.383 -11.430   1.591
  877    HB2  ASP 115           HB2      ASP 115  -8.032 -12.870   2.821
  878    HB3  ASP 115           HB3      ASP 115  -8.284 -13.783   1.328
  879    H    TRP 116           H        TRP 116  -8.612 -12.358  -1.077
  880    HA   TRP 116           HA       TRP 116  -6.586 -13.479  -2.780
  881    HB2  TRP 116           HB2      TRP 116  -8.868 -13.847  -3.404
  882    HB3  TRP 116           HB3      TRP 116  -9.243 -12.128  -3.347
  883    HD1  TRP 116           HD1      TRP 116  -9.196 -10.901  -5.556
  884    HE1  TRP 116           HE1      TRP 116  -8.103 -11.198  -7.859
  885    HE3  TRP 116           HE3      TRP 116  -6.562 -15.211  -4.686
  886    HZ2  TRP 116           HZ2      TRP 116  -6.196 -12.960  -9.100
  887    HZ3  TRP 116           HZ3      TRP 116  -5.141 -16.191  -6.458
  888    HH2  TRP 116           HH2      TRP 116  -4.928 -15.064  -8.661
  889    H    LEU 117           H        LEU 117  -7.815 -10.101  -2.400
  890    HA   LEU 117           HA       LEU 117  -6.167  -8.999  -4.439
  891    HB2  LEU 117           HB2      LEU 117  -7.382  -7.783  -1.927
  892    HB3  LEU 117           HB3      LEU 117  -6.532  -6.828  -3.129
  893    HG   LEU 117           HG       LEU 117  -8.898  -8.583  -3.907
  894   HD11  LEU 117          HD11      LEU 117 -10.324  -6.577  -3.707
  895   HD12  LEU 117          HD12      LEU 117  -9.684  -7.093  -2.141
  896   HD13  LEU 117          HD13      LEU 117  -8.972  -5.687  -2.966
  897   HD21  LEU 117          HD21      LEU 117  -7.688  -6.093  -5.181
  898   HD22  LEU 117          HD22      LEU 117  -7.476  -7.759  -5.755
  899   HD23  LEU 117          HD23      LEU 117  -9.082  -7.014  -5.783
  900    H    TYR 118           H        TYR 118  -5.610  -9.440  -0.901
  901    HA   TYR 118           HA       TYR 118  -3.033  -8.256  -0.775
  902    HB2  TYR 118           HB2      TYR 118  -4.240 -10.521   0.863
  903    HB3  TYR 118           HB3      TYR 118  -2.779  -9.663   1.283
  904    HD1  TYR 118           HD2      TYR 118  -4.177  -6.813   0.380
  905    HD2  TYR 118           HD1      TYR 118  -5.097 -10.048   3.097
  906    HE1  TYR 118           HE2      TYR 118  -5.501  -5.271   1.765
  907    HE2  TYR 118           HE1      TYR 118  -6.429  -8.503   4.487
  908    HH   TYR 118           HH       TYR 118  -7.195  -6.315   4.761
  909    H    TRP 119           H        TRP 119  -3.981 -11.708  -1.369
  910    HA   TRP 119           HA       TRP 119  -1.321 -12.705  -1.673
  911    HB2  TRP 119           HB2      TRP 119  -3.056 -14.301  -1.491
  912    HB3  TRP 119           HB3      TRP 119  -4.030 -13.535  -2.739
  913    HD1  TRP 119           HD1      TRP 119  -3.756 -14.281  -5.149
  914    HE1  TRP 119           HE1      TRP 119  -2.295 -15.943  -6.440
  915    HE3  TRP 119           HE3      TRP 119  -0.421 -15.424  -1.437
  916    HZ2  TRP 119           HZ2      TRP 119  -0.006 -17.620  -5.880
  917    HZ3  TRP 119           HZ3      TRP 119   1.428 -17.011  -1.865
  918    HH2  TRP 119           HH2      TRP 119   1.651 -18.116  -4.085
  919    H    LEU 120           H        LEU 120  -3.557 -11.195  -4.081
  920    HA   LEU 120           HA       LEU 120  -1.854 -11.737  -6.261
  921    HB2  LEU 120           HB2      LEU 120  -4.286 -11.212  -6.391
  922    HB3  LEU 120           HB3      LEU 120  -3.929  -9.533  -5.969
  923    HG   LEU 120           HG       LEU 120  -2.593  -9.286  -8.052
  924   HD11  LEU 120          HD11      LEU 120  -1.796 -11.574  -8.431
  925   HD12  LEU 120          HD12      LEU 120  -3.462 -12.162  -8.611
  926   HD13  LEU 120          HD13      LEU 120  -2.757 -11.062  -9.816
  927   HD21  LEU 120          HD21      LEU 120  -4.993  -8.747  -8.027
  928   HD22  LEU 120          HD22      LEU 120  -4.487  -9.355  -9.611
  929   HD23  LEU 120          HD23      LEU 120  -5.382 -10.416  -8.501
  930    H    ALA 121           H        ALA 121  -2.015  -9.015  -3.988
  931    HA   ALA 121           HA       ALA 121  -0.018  -7.399  -5.289
  932    HB1  ALA 121           HB1      ALA 121  -1.667  -6.526  -3.656
  933    HB2  ALA 121           HB2      ALA 121  -0.966  -7.543  -2.387
  934    HB3  ALA 121           HB3      ALA 121  -0.005  -6.221  -3.092
  935    H    ARG 122           H        ARG 122   0.115  -9.959  -2.794
  936    HA   ARG 122           HA       ARG 122   2.895  -9.702  -2.179
  937    HB2  ARG 122           HB2      ARG 122   1.210 -10.712  -0.762
  938    HB3  ARG 122           HB3      ARG 122   1.021 -12.067  -1.879
  939    HG2  ARG 122           HG2      ARG 122   3.126 -12.981  -1.354
  940    HG3  ARG 122           HG3      ARG 122   3.768 -11.429  -0.787
  941    HD2  ARG 122           HD2      ARG 122   3.372 -12.839   1.130
  942    HD3  ARG 122           HD3      ARG 122   2.289 -11.442   1.114
  943    HE   ARG 122           HE       ARG 122   1.590 -14.294   0.470
  944   HH11  ARG 122          HH11      ARG 122   0.571 -11.294   1.959
  945   HH12  ARG 122          HH12      ARG 122  -1.135 -11.551   1.761
  946   HH21  ARG 122          HH21      ARG 122  -0.591 -14.921   0.809
  947   HH22  ARG 122          HH22      ARG 122  -1.814 -13.747   1.169
  948    H    GLY 123           H        GLY 123   1.222 -11.281  -4.914
  949    HA2  GLY 123           HA2      GLY 123   3.463 -11.809  -6.458
  950    HA3  GLY 123           HA3      GLY 123   3.197 -13.255  -5.459
  951    H    TYR 124           H        TYR 124   2.899 -13.737  -7.993
  952    HA   TYR 124           HA       TYR 124   0.025 -14.104  -8.416
  953    HB2  TYR 124           HB2      TYR 124   0.510 -11.874  -9.379
  954    HB3  TYR 124           HB3      TYR 124   1.749 -12.584 -10.404
  955    HD1  TYR 124           HD2      TYR 124  -1.614 -14.191  -9.772
  956    HD2  TYR 124           HD1      TYR 124   0.805 -11.838 -12.478
  957    HE1  TYR 124           HE2      TYR 124  -3.263 -14.544 -11.533
  958    HE2  TYR 124           HE1      TYR 124  -0.880 -12.154 -14.252
  959    HH   TYR 124           HH       TYR 124  -2.919 -13.098 -14.833
  960    H    LYS 125           H        LYS 125   1.504 -16.078  -7.690
  961    HA   LYS 125           HA       LYS 125   2.799 -17.516  -9.902
  962    HB2  LYS 125           HB2      LYS 125   1.924 -18.469  -7.135
  963    HB3  LYS 125           HB3      LYS 125   2.910 -19.381  -8.270
  964    HG2  LYS 125           HG2      LYS 125   3.712 -16.783  -6.886
  965    HG3  LYS 125           HG3      LYS 125   4.260 -18.410  -6.482
  966    HD2  LYS 125           HD2      LYS 125   5.300 -18.603  -8.755
  967    HD3  LYS 125           HD3      LYS 125   4.836 -16.916  -9.081
  968    HE2  LYS 125           HE2      LYS 125   6.150 -16.171  -7.114
  969    HE3  LYS 125           HE3      LYS 125   6.612 -17.845  -6.781
  970    HZ1  LYS 125           HZ1      LYS 125   7.336 -16.337  -9.228
  971    HZ2  LYS 125           HZ2      LYS 125   8.338 -16.679  -7.991
  972    HZ3  LYS 125           HZ3      LYS 125   7.761 -17.886  -8.918
  973    H    PHE 126           H        PHE 126  -0.392 -17.282  -8.403
  974    HA   PHE 126           HA       PHE 126  -1.761 -18.598 -10.511
  975    HB2  PHE 126           HB2      PHE 126  -2.869 -20.248  -8.859
  976    HB3  PHE 126           HB3      PHE 126  -1.312 -20.663  -9.528
  977    HD1  PHE 126           HD1      PHE 126  -2.991 -19.457  -6.426
  978    HD2  PHE 126           HD2      PHE 126   0.626 -21.016  -8.178
  979    HE1  PHE 126           HE1      PHE 126  -2.037 -19.844  -4.152
  980    HE2  PHE 126           HE2      PHE 126   1.589 -21.343  -5.919
  981    HZ   PHE 126           HZ       PHE 126   0.250 -20.751  -3.897
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   4.130  -2.853  -3.583
    2    H2   MET   1           H2       MET   1   2.524  -2.621  -3.395
    3    H3   MET   1           H3       MET   1   3.589  -1.552  -2.748
    4    HA   MET   1           HA       MET   1   4.438  -3.220  -1.254
    5    HB2  MET   1           HB2      MET   1   2.571  -1.730  -0.547
    6    HB3  MET   1           HB3      MET   1   1.399  -2.940  -1.061
    7    HG2  MET   1           HG2      MET   1   3.535  -3.418   1.061
    8    HG3  MET   1           HG3      MET   1   1.925  -2.804   1.403
    9    HE1  MET   1           HE1      MET   1   1.369  -4.582   3.199
   10    HE2  MET   1           HE2      MET   1   1.643  -6.324   2.985
   11    HE3  MET   1           HE3      MET   1   3.023  -5.203   3.006
   12    H    ALA   2           H        ALA   2   4.954  -5.352  -1.127
   13    HA   ALA   2           HA       ALA   2   2.921  -7.381  -1.922
   14    HB1  ALA   2           HB1      ALA   2   4.565  -7.164  -3.770
   15    HB2  ALA   2           HB2      ALA   2   5.892  -7.466  -2.622
   16    HB3  ALA   2           HB3      ALA   2   4.695  -8.734  -2.958
   17    H    SER   3           H        SER   3   4.747  -6.118   0.550
   18    HA   SER   3           HA       SER   3   5.976  -8.400   1.669
   19    HB2  SER   3           HB2      SER   3   5.345  -5.774   3.046
   20    HB3  SER   3           HB3      SER   3   6.729  -6.851   3.312
   21    HG   SER   3           HG       SER   3   7.327  -5.059   2.046
   22    H    VAL   4           H        VAL   4   3.118  -8.959   1.362
   23    HA   VAL   4           HA       VAL   4   1.858  -8.880   3.956
   24    HB   VAL   4           HB       VAL   4   1.145 -10.988   1.928
   25   HG11  VAL   4          HG11      VAL   4  -0.108 -10.815   4.068
   26   HG12  VAL   4          HG12      VAL   4  -0.552  -9.144   3.661
   27   HG13  VAL   4          HG13      VAL   4  -1.130 -10.500   2.668
   28   HG21  VAL   4          HG21      VAL   4  -0.296  -9.367   0.705
   29   HG22  VAL   4          HG22      VAL   4   0.472  -8.031   1.584
   30   HG23  VAL   4          HG23      VAL   4   1.408  -9.039   0.454
   31    H    GLU   5           H        GLU   5   4.464 -10.737   2.681
   32    HA   GLU   5           HA       GLU   5   4.354 -13.102   4.200
   33    HB2  GLU   5           HB2      GLU   5   5.954 -12.270   2.308
   34    HB3  GLU   5           HB3      GLU   5   6.920 -11.590   3.608
   35    HG2  GLU   5           HG2      GLU   5   7.210 -13.831   4.592
   36    HG3  GLU   5           HG3      GLU   5   6.065 -14.519   3.437
   37    H    ARG   6           H        ARG   6   4.608  -9.859   5.354
   38    HA   ARG   6           HA       ARG   6   6.009 -10.158   7.778
   39    HB2  ARG   6           HB2      ARG   6   4.703  -8.264   8.561
   40    HB3  ARG   6           HB3      ARG   6   5.194  -8.021   6.887
   41    HG2  ARG   6           HG2      ARG   6   2.858  -8.777   6.174
   42    HG3  ARG   6           HG3      ARG   6   2.423  -8.874   7.880
   43    HD2  ARG   6           HD2      ARG   6   1.634  -6.785   6.924
   44    HD3  ARG   6           HD3      ARG   6   2.869  -6.476   8.159
   45    HE   ARG   6           HE       ARG   6   4.008  -6.673   5.508
   46   HH11  ARG   6          HH11      ARG   6   2.094  -4.451   7.511
   47   HH12  ARG   6          HH12      ARG   6   2.801  -3.015   6.874
   48   HH21  ARG   6          HH21      ARG   6   5.091  -4.724   4.778
   49   HH22  ARG   6          HH22      ARG   6   4.491  -3.181   5.241
   50    H    ASP   7           H        ASP   7   2.974 -11.643   6.839
   51    HA   ASP   7           HA       ASP   7   2.792 -12.826   9.562
   52    HB2  ASP   7           HB2      ASP   7   0.966 -11.249   9.441
   53    HB3  ASP   7           HB3      ASP   7   0.452 -11.899   7.876
   54    H    GLU   8           H        GLU   8   4.225 -14.344   8.559
   55    HA   GLU   8           HA       GLU   8   3.692 -15.889   6.297
   56    HB2  GLU   8           HB2      GLU   8   5.104 -16.735   8.862
   57    HB3  GLU   8           HB3      GLU   8   5.195 -17.567   7.303
   58    HG2  GLU   8           HG2      GLU   8   6.165 -15.495   6.286
   59    HG3  GLU   8           HG3      GLU   8   6.201 -14.764   7.900
   60    H    THR   9           H        THR   9   2.028 -16.039   9.398
   61    HA   THR   9           HA       THR   9   1.114 -18.668   9.483
   62    HB   THR   9           HB       THR   9  -0.727 -16.339  10.011
   63    HG1  THR   9           HG1      THR   9   0.813 -15.479  11.012
   64   HG21  THR   9          HG21      THR   9  -0.163 -18.923  11.528
   65   HG22  THR   9          HG22      THR   9  -1.362 -17.685  11.977
   66   HG23  THR   9          HG23      THR   9  -1.560 -18.601  10.476
   67    H    ARG  10           H        ARG  10  -0.192 -15.927   7.479
   68    HA   ARG  10           HA       ARG  10  -2.352 -17.546   6.529
   69    HB2  ARG  10           HB2      ARG  10  -2.438 -15.072   6.545
   70    HB3  ARG  10           HB3      ARG  10  -1.129 -15.002   5.361
   71    HG2  ARG  10           HG2      ARG  10  -3.334 -14.621   4.342
   72    HG3  ARG  10           HG3      ARG  10  -2.537 -16.042   3.662
   73    HD2  ARG  10           HD2      ARG  10  -3.930 -17.512   5.100
   74    HD3  ARG  10           HD3      ARG  10  -4.735 -16.087   5.784
   75    HE   ARG  10           HE       ARG  10  -5.269 -15.657   3.225
   76   HH11  ARG  10          HH21      ARG  10  -5.593 -18.652   5.123
   77   HH12  ARG  10          HH22      ARG  10  -6.806 -19.334   4.111
   78   HH21  ARG  10          HH11      ARG  10  -6.773 -16.595   1.820
   79   HH22  ARG  10          HH12      ARG  10  -7.499 -18.137   2.149
   80    H    GLU  11           H        GLU  11   0.958 -16.946   5.368
   81    HA   GLU  11           HA       GLU  11   0.636 -18.110   2.775
   82    HB2  GLU  11           HB2      GLU  11   3.150 -17.974   4.496
   83    HB3  GLU  11           HB3      GLU  11   3.094 -18.230   2.762
   84    HG2  GLU  11           HG2      GLU  11   2.138 -15.667   4.131
   85    HG3  GLU  11           HG3      GLU  11   3.766 -15.928   3.543
   86    H    HIS  12           H        HIS  12   1.784 -19.457   5.924
   87    HA   HIS  12           HA       HIS  12   2.132 -22.128   4.987
   88    HB2  HIS  12           HB2      HIS  12   1.454 -21.088   7.774
   89    HB3  HIS  12           HB3      HIS  12   1.937 -22.740   7.406
   90    HD1  HIS  12           HD1      HIS  12   4.546 -22.639   5.908
   91    HD2  HIS  12           HD2      HIS  12   3.418 -19.789   8.791
   92    HE1  HIS  12           HE1      HIS  12   6.702 -21.581   6.743
   93    H    ARG  13           H        ARG  13  -0.710 -20.526   6.589
   94    HA   ARG  13           HA       ARG  13  -2.197 -22.970   6.670
   95    HB2  ARG  13           HB2      ARG  13  -3.064 -20.061   6.896
   96    HB3  ARG  13           HB3      ARG  13  -4.178 -21.428   7.002
   97    HG2  ARG  13           HG2      ARG  13  -2.683 -22.387   8.856
   98    HG3  ARG  13           HG3      ARG  13  -1.820 -20.857   8.862
   99    HD2  ARG  13           HD2      ARG  13  -3.486 -20.799  10.605
  100    HD3  ARG  13           HD3      ARG  13  -3.998 -19.684   9.321
  101    HE   ARG  13           HE       ARG  13  -4.995 -22.422   9.033
  102   HH11  ARG  13          HH11      ARG  13  -5.752 -19.381  10.714
  103   HH12  ARG  13          HH12      ARG  13  -7.459 -19.629  10.671
  104   HH21  ARG  13          HH21      ARG  13  -7.196 -22.679   8.814
  105   HH22  ARG  13          HH22      ARG  13  -8.314 -21.613   9.621
  106    H    ILE  14           H        ILE  14  -2.270 -20.318   4.164
  107    HA   ILE  14           HA       ILE  14  -4.427 -21.573   2.813
  108    HB   ILE  14           HB       ILE  14  -3.692 -19.218   2.468
  109   HG12  ILE  14          HG12      ILE  14  -4.087 -20.961  -0.001
  110   HG13  ILE  14          HG13      ILE  14  -5.341 -20.358   1.081
  111   HG21  ILE  14          HG21      ILE  14  -1.625 -20.302   0.510
  112   HG22  ILE  14          HG22      ILE  14  -1.975 -18.606   0.903
  113   HG23  ILE  14          HG23      ILE  14  -1.239 -19.645   2.112
  114   HD11  ILE  14          HD11      ILE  14  -5.368 -19.004  -0.858
  115   HD12  ILE  14          HD12      ILE  14  -4.707 -18.010   0.456
  116   HD13  ILE  14          HD13      ILE  14  -3.623 -18.698  -0.782
  117    H    GLU  15           H        GLU  15  -0.882 -21.994   2.549
  118    HA   GLU  15           HA       GLU  15  -0.804 -23.792   0.363
  119    HB2  GLU  15           HB2      GLU  15   1.138 -22.635   1.252
  120    HB3  GLU  15           HB3      GLU  15   0.986 -23.482   2.787
  121    HG2  GLU  15           HG2      GLU  15   2.758 -24.472   1.477
  122    HG3  GLU  15           HG3      GLU  15   1.450 -25.623   1.723
  123    H    THR  16           H        THR  16  -1.423 -24.405   3.852
  124    HA   THR  16           HA       THR  16  -1.347 -27.305   3.300
  125    HB   THR  16           HB       THR  16  -1.292 -27.462   5.800
  126    HG1  THR  16           HG1      THR  16  -0.760 -24.678   5.686
  127   HG21  THR  16          HG21      THR  16   0.910 -25.790   4.504
  128   HG22  THR  16          HG22      THR  16   1.048 -26.757   5.990
  129   HG23  THR  16          HG23      THR  16   0.759 -27.558   4.439
  130    H    GLU  17           H        GLU  17  -3.812 -24.978   3.414
  131    HA   GLU  17           HA       GLU  17  -5.791 -27.054   4.288
  132    HB2  GLU  17           HB2      GLU  17  -5.907 -24.053   4.760
  133    HB3  GLU  17           HB3      GLU  17  -7.073 -25.263   5.294
  134    HG2  GLU  17           HG2      GLU  17  -5.340 -26.330   6.708
  135    HG3  GLU  17           HG3      GLU  17  -4.168 -25.117   6.190
  136    H    ILE  18           H        ILE  18  -5.106 -24.558   1.843
  137    HA   ILE  18           HA       ILE  18  -7.854 -24.987   0.727
  138    HB   ILE  18           HB       ILE  18  -6.060 -22.555   0.877
  139   HG12  ILE  18          HG12      ILE  18  -8.878 -23.142   1.911
  140   HG13  ILE  18          HG13      ILE  18  -7.418 -23.134   2.894
  141   HG21  ILE  18          HG21      ILE  18  -8.705 -22.759  -0.618
  142   HG22  ILE  18          HG22      ILE  18  -7.720 -21.288  -0.390
  143   HG23  ILE  18          HG23      ILE  18  -7.115 -22.588  -1.384
  144   HD11  ILE  18          HD11      ILE  18  -8.663 -20.710   1.562
  145   HD12  ILE  18          HD12      ILE  18  -8.623 -21.105   3.281
  146   HD13  ILE  18          HD13      ILE  18  -7.112 -20.718   2.440
  147    H    ILE  19           H        ILE  19  -4.393 -24.800  -0.093
  148    HA   ILE  19           HA       ILE  19  -5.084 -25.829  -2.815
  149    HB   ILE  19           HB       ILE  19  -3.163 -24.618  -3.665
  150   HG12  ILE  19          HG12      ILE  19  -2.719 -23.909  -0.782
  151   HG13  ILE  19          HG13      ILE  19  -1.594 -24.571  -1.937
  152   HG21  ILE  19          HG21      ILE  19  -4.112 -22.421  -3.674
  153   HG22  ILE  19          HG22      ILE  19  -5.451 -23.561  -3.564
  154   HG23  ILE  19          HG23      ILE  19  -4.916 -22.678  -2.117
  155   HD11  ILE  19          HD11      ILE  19  -0.989 -22.301  -1.407
  156   HD12  ILE  19          HD12      ILE  19  -1.576 -22.321  -3.088
  157   HD13  ILE  19          HD13      ILE  19  -2.611 -21.711  -1.766
  158    H    VAL  20           H        VAL  20  -4.139 -27.046  -0.012
  159    HA   VAL  20           HA       VAL  20  -1.650 -28.254  -0.447
  160    HB   VAL  20           HB       VAL  20  -2.988 -27.980   1.649
  161   HG11  VAL  20          HG11      VAL  20  -4.422 -30.540   0.918
  162   HG12  VAL  20          HG12      VAL  20  -4.515 -29.652   2.446
  163   HG13  VAL  20          HG13      VAL  20  -5.153 -28.916   0.974
  164   HG21  VAL  20          HG21      VAL  20  -0.911 -29.297   1.596
  165   HG22  VAL  20          HG22      VAL  20  -2.063 -29.935   2.782
  166   HG23  VAL  20          HG23      VAL  20  -1.847 -30.763   1.225
  167    H    ASP  21           H        ASP  21  -4.866 -29.226  -1.434
  168    HA   ASP  21           HA       ASP  21  -4.159 -31.878  -2.352
  169    HB2  ASP  21           HB2      ASP  21  -6.383 -31.193  -1.435
  170    HB3  ASP  21           HB3      ASP  21  -6.644 -30.198  -2.868
  171    H    ALA  22           H        ALA  22  -3.195 -29.028  -3.676
  172    HA   ALA  22           HA       ALA  22  -3.605 -29.835  -6.519
  173    HB1  ALA  22           HB1      ALA  22  -3.983 -27.157  -5.115
  174    HB2  ALA  22           HB2      ALA  22  -3.796 -27.315  -6.866
  175    HB3  ALA  22           HB3      ALA  22  -5.177 -28.078  -6.050
  176    H    GLU  23           H        GLU  23  -1.838 -29.640  -7.800
  177    HA   GLU  23           HA       GLU  23   0.731 -28.778  -6.523
  178    HB2  GLU  23           HB2      GLU  23  -0.025 -31.228  -8.158
  179    HB3  GLU  23           HB3      GLU  23   1.648 -30.748  -7.912
  180    HG2  GLU  23           HG2      GLU  23  -0.253 -31.319  -5.599
  181    HG3  GLU  23           HG3      GLU  23   0.753 -32.539  -6.361
  182    H    ASP  24           H        ASP  24  -1.406 -28.215  -9.124
  183    HA   ASP  24           HA       ASP  24   0.756 -26.838 -10.661
  184    HB2  ASP  24           HB2      ASP  24   0.044 -28.840 -11.894
  185    HB3  ASP  24           HB3      ASP  24  -1.649 -28.364 -11.736
  186    H    LYS  25           H        LYS  25   0.125 -24.818 -11.554
  187    HA   LYS  25           HA       LYS  25  -1.454 -23.272  -9.873
  188    HB2  LYS  25           HB2      LYS  25  -1.247 -21.506 -11.544
  189    HB3  LYS  25           HB3      LYS  25   0.280 -22.293 -11.213
  190    HG2  LYS  25           HG2      LYS  25   0.365 -23.350 -13.320
  191    HG3  LYS  25           HG3      LYS  25  -1.360 -23.133 -13.640
  192    HD2  LYS  25           HD2      LYS  25   0.542 -20.785 -13.332
  193    HD3  LYS  25           HD3      LYS  25   0.232 -21.563 -14.894
  194    HE2  LYS  25           HE2      LYS  25  -2.005 -20.910 -14.981
  195    HE3  LYS  25           HE3      LYS  25  -2.144 -20.725 -13.235
  196    HZ1  LYS  25           HZ1      LYS  25  -0.568 -18.884 -14.934
  197    HZ2  LYS  25           HZ2      LYS  25  -2.087 -18.588 -14.412
  198    HZ3  LYS  25           HZ3      LYS  25  -0.879 -18.728 -13.320
  199    H    GLU  26           H        GLU  26  -2.599 -25.040 -12.778
  200    HA   GLU  26           HA       GLU  26  -5.090 -23.581 -12.975
  201    HB2  GLU  26           HB2      GLU  26  -4.214 -26.366 -13.877
  202    HB3  GLU  26           HB3      GLU  26  -5.801 -25.695 -14.214
  203    HG2  GLU  26           HG2      GLU  26  -4.731 -23.748 -15.370
  204    HG3  GLU  26           HG3      GLU  26  -3.149 -24.478 -15.110
  205    H    GLU  27           H        GLU  27  -4.005 -26.477 -11.175
  206    HA   GLU  27           HA       GLU  27  -6.610 -27.158 -10.117
  207    HB2  GLU  27           HB2      GLU  27  -3.844 -27.784  -9.017
  208    HB3  GLU  27           HB3      GLU  27  -5.352 -28.601  -8.600
  209    HG2  GLU  27           HG2      GLU  27  -5.520 -29.430 -10.936
  210    HG3  GLU  27           HG3      GLU  27  -3.982 -28.644 -11.324
  211    H    ARG  28           H        ARG  28  -3.844 -25.136  -9.036
  212    HA   ARG  28           HA       ARG  28  -5.025 -24.593  -6.452
  213    HB2  ARG  28           HB2      ARG  28  -2.793 -23.153  -7.956
  214    HB3  ARG  28           HB3      ARG  28  -3.290 -22.828  -6.282
  215    HG2  ARG  28           HG2      ARG  28  -2.947 -25.266  -5.778
  216    HG3  ARG  28           HG3      ARG  28  -2.187 -25.465  -7.353
  217    HD2  ARG  28           HD2      ARG  28  -0.331 -24.088  -6.723
  218    HD3  ARG  28           HD3      ARG  28  -1.201 -23.481  -5.294
  219    HE   ARG  28           HE       ARG  28  -0.870 -26.387  -5.350
  220   HH11  ARG  28          HH11      ARG  28   0.732 -23.405  -4.244
  221   HH12  ARG  28          HH12      ARG  28   1.215 -24.111  -2.723
  222   HH21  ARG  28          HH21      ARG  28  -0.189 -27.277  -3.471
  223   HH22  ARG  28          HH22      ARG  28   0.810 -26.381  -2.328
  224    H    ALA  29           H        ALA  29  -5.428 -23.057  -9.620
  225    HA   ALA  29           HA       ALA  29  -6.844 -20.745  -8.632
  226    HB1  ALA  29           HB1      ALA  29  -6.051 -20.939 -10.997
  227    HB2  ALA  29           HB2      ALA  29  -7.255 -22.219 -11.277
  228    HB3  ALA  29           HB3      ALA  29  -7.784 -20.583 -10.880
  229    H    MET  30           H        MET  30  -7.809 -24.145  -9.429
  230    HA   MET  30           HA       MET  30 -10.585 -23.698  -8.814
  231    HB2  MET  30           HB2      MET  30  -9.020 -26.291  -8.851
  232    HB3  MET  30           HB3      MET  30 -10.770 -26.135  -8.733
  233    HG2  MET  30           HG2      MET  30  -9.084 -25.168 -11.070
  234    HG3  MET  30           HG3      MET  30 -10.020 -26.649 -11.004
  235    HE1  MET  30           HE1      MET  30 -10.899 -22.558 -10.446
  236    HE2  MET  30           HE2      MET  30  -9.859 -23.007 -11.813
  237    HE3  MET  30           HE3      MET  30 -11.532 -22.479 -12.083
  238    H    GLY  31           H        GLY  31  -7.837 -24.799  -6.761
  239    HA2  GLY  31           HA2      GLY  31  -9.267 -25.298  -4.398
  240    HA3  GLY  31           HA3      GLY  31  -7.628 -24.624  -4.466
  241    H    TRP  32           H        TRP  32  -7.823 -22.150  -5.434
  242    HA   TRP  32           HA       TRP  32  -8.953 -20.481  -3.509
  243    HB2  TRP  32           HB2      TRP  32  -8.007 -20.115  -6.342
  244    HB3  TRP  32           HB3      TRP  32  -8.962 -18.839  -5.614
  245    HD1  TRP  32           HD1      TRP  32  -5.521 -20.382  -5.405
  246    HE1  TRP  32           HE1      TRP  32  -4.011 -18.850  -4.024
  247    HE3  TRP  32           HE3      TRP  32  -9.093 -17.253  -3.496
  248    HZ2  TRP  32           HZ2      TRP  32  -4.322 -16.587  -2.243
  249    HZ3  TRP  32           HZ3      TRP  32  -8.460 -15.459  -1.904
  250    HH2  TRP  32           HH2      TRP  32  -6.079 -15.099  -1.299
  251    H    TYR  33           H        TYR  33 -10.330 -21.333  -6.755
  252    HA   TYR  33           HA       TYR  33 -12.641 -19.780  -6.565
  253    HB2  TYR  33           HB2      TYR  33 -11.970 -20.770  -8.660
  254    HB3  TYR  33           HB3      TYR  33 -12.108 -22.397  -8.005
  255    HD1  TYR  33           HD1      TYR  33 -14.010 -19.513  -9.301
  256    HD2  TYR  33           HD2      TYR  33 -14.275 -23.480  -7.635
  257    HE1  TYR  33           HE1      TYR  33 -16.376 -19.641  -9.984
  258    HE2  TYR  33           HE2      TYR  33 -16.685 -23.551  -8.159
  259    HH   TYR  33           HH       TYR  33 -18.475 -22.454  -9.188
  260    H    TYR  34           H        TYR  34 -12.194 -23.218  -5.486
  261    HA   TYR  34           HA       TYR  34 -14.937 -23.633  -4.936
  262    HB2  TYR  34           HB2      TYR  34 -12.485 -24.951  -3.698
  263    HB3  TYR  34           HB3      TYR  34 -14.133 -25.513  -3.481
  264    HD1  TYR  34           HD2      TYR  34 -15.306 -25.404  -6.210
  265    HD2  TYR  34           HD1      TYR  34 -11.401 -26.672  -4.868
  266    HE1  TYR  34           HE2      TYR  34 -15.104 -26.856  -8.190
  267    HE2  TYR  34           HE1      TYR  34 -11.206 -28.158  -6.835
  268    HH   TYR  34           HH       TYR  34 -13.776 -28.392  -9.340
  269    H    TYR  35           H        TYR  35 -12.248 -22.673  -2.655
  270    HA   TYR  35           HA       TYR  35 -14.177 -22.564  -0.506
  271    HB2  TYR  35           HB2      TYR  35 -12.487 -22.289   0.888
  272    HB3  TYR  35           HB3      TYR  35 -11.505 -22.809  -0.462
  273    HD1  TYR  35           HD1      TYR  35 -10.159 -21.128  -1.729
  274    HD2  TYR  35           HD2      TYR  35 -12.477 -20.005   1.725
  275    HE1  TYR  35           HE1      TYR  35  -8.866 -19.027  -1.561
  276    HE2  TYR  35           HE2      TYR  35 -11.222 -17.887   1.896
  277    HH   TYR  35           HH       TYR  35  -9.544 -16.567   1.000
  278    H    LEU  36           H        LEU  36 -12.862 -20.104  -2.774
  279    HA   LEU  36           HA       LEU  36 -13.882 -17.851  -1.389
  280    HB2  LEU  36           HB2      LEU  36 -12.193 -17.682  -3.148
  281    HB3  LEU  36           HB3      LEU  36 -13.338 -18.290  -4.351
  282    HG   LEU  36           HG       LEU  36 -14.739 -16.281  -4.090
  283   HD11  LEU  36          HD11      LEU  36 -13.872 -14.315  -2.808
  284   HD12  LEU  36          HD12      LEU  36 -14.333 -15.650  -1.752
  285   HD13  LEU  36          HD13      LEU  36 -12.614 -15.349  -2.103
  286   HD21  LEU  36          HD21      LEU  36 -13.226 -14.723  -5.165
  287   HD22  LEU  36          HD22      LEU  36 -11.806 -15.577  -4.517
  288   HD23  LEU  36          HD23      LEU  36 -12.859 -16.359  -5.714
  289    H    ASP  37           H        ASP  37 -15.324 -19.747  -4.144
  290    HA   ASP  37           HA       ASP  37 -17.751 -18.291  -4.288
  291    HB2  ASP  37           HB2      ASP  37 -17.038 -19.861  -6.031
  292    HB3  ASP  37           HB3      ASP  37 -17.165 -21.214  -4.902
  293    H    ASP  38           H        ASP  38 -16.868 -21.153  -2.306
  294    HA   ASP  38           HA       ASP  38 -19.402 -21.464  -1.039
  295    HB2  ASP  38           HB2      ASP  38 -17.658 -23.183  -1.024
  296    HB3  ASP  38           HB3      ASP  38 -16.613 -22.150  -0.046
  297    H    THR  39           H        THR  39 -16.878 -19.063  -0.466
  298    HA   THR  39           HA       THR  39 -17.886 -18.459   2.248
  299    HB   THR  39           HB       THR  39 -15.508 -17.378   0.684
  300    HG1  THR  39           HG1      THR  39 -15.172 -19.459   1.176
  301   HG21  THR  39          HG21      THR  39 -14.746 -16.673   3.023
  302   HG22  THR  39          HG22      THR  39 -16.062 -15.720   2.324
  303   HG23  THR  39          HG23      THR  39 -16.423 -16.937   3.555
  304    H    LEU  40           H        LEU  40 -17.783 -16.993  -1.028
  305    HA   LEU  40           HA       LEU  40 -18.519 -14.359  -0.299
  306    HB2  LEU  40           HB2      LEU  40 -19.106 -15.970  -2.804
  307    HB3  LEU  40           HB3      LEU  40 -19.510 -14.264  -2.640
  308    HG   LEU  40           HG       LEU  40 -16.699 -15.398  -2.533
  309   HD11  LEU  40          HD11      LEU  40 -18.108 -13.850  -4.742
  310   HD12  LEU  40          HD12      LEU  40 -16.431 -14.442  -4.769
  311   HD13  LEU  40          HD13      LEU  40 -17.773 -15.593  -4.754
  312   HD21  LEU  40          HD21      LEU  40 -16.010 -13.013  -2.894
  313   HD22  LEU  40          HD22      LEU  40 -17.659 -12.553  -2.424
  314   HD23  LEU  40          HD23      LEU  40 -16.585 -13.435  -1.286
  315    H    GLU  41           H        GLU  41 -20.354 -13.717   0.779
  316    HA   GLU  41           HA       GLU  41 -22.804 -15.298   0.771
  317    HB2  GLU  41           HB2      GLU  41 -22.011 -12.631   2.009
  318    HB3  GLU  41           HB3      GLU  41 -23.615 -13.344   2.205
  319    HG2  GLU  41           HG2      GLU  41 -21.107 -14.890   2.913
  320    HG3  GLU  41           HG3      GLU  41 -21.879 -13.787   4.052
  321    H    PHE  42           H        PHE  42 -22.321 -14.906  -1.740
  322    HA   PHE  42           HA       PHE  42 -23.222 -12.460  -2.899
  323    HB2  PHE  42           HB2      PHE  42 -23.074 -13.579  -5.025
  324    HB3  PHE  42           HB3      PHE  42 -21.701 -14.014  -4.043
  325    HD1  PHE  42           HD2      PHE  42 -24.987 -15.231  -5.362
  326    HD2  PHE  42           HD1      PHE  42 -21.217 -16.345  -3.575
  327    HE1  PHE  42           HE2      PHE  42 -25.469 -17.617  -5.815
  328    HE2  PHE  42           HE1      PHE  42 -21.707 -18.721  -4.028
  329    HZ   PHE  42           HZ       PHE  42 -23.834 -19.372  -5.145
  330    HA   PRO  43           HA       PRO  43 -24.368 -11.821  -4.970
  331    HB2  PRO  43           HB2      PRO  43 -26.390 -10.063  -5.420
  332    HB3  PRO  43           HB3      PRO  43 -26.302 -11.657  -6.228
  333    HG2  PRO  43           HG2      PRO  43 -27.909 -10.916  -3.766
  334    HG3  PRO  43           HG3      PRO  43 -28.461 -11.795  -5.228
  335    HD2  PRO  43           HD2      PRO  43 -27.683 -13.093  -2.948
  336    HD3  PRO  43           HD3      PRO  43 -27.358 -13.772  -4.569
  337    H    PHE  44           H        PHE  44 -23.598  -9.666  -4.657
  338    HA   PHE  44           HA       PHE  44 -24.265  -8.219  -2.185
  339    HB2  PHE  44           HB2      PHE  44 -22.038  -8.124  -1.363
  340    HB3  PHE  44           HB3      PHE  44 -22.522  -9.801  -1.466
  341    HD1  PHE  44           HD1      PHE  44 -21.554 -11.266  -3.348
  342    HD2  PHE  44           HD2      PHE  44 -20.036  -7.351  -2.398
  343    HE1  PHE  44           HE1      PHE  44 -19.414 -11.831  -4.453
  344    HE2  PHE  44           HE2      PHE  44 -17.923  -7.890  -3.567
  345    HZ   PHE  44           HZ       PHE  44 -17.593 -10.140  -4.575
  346    H    MET  45           H        MET  45 -22.311  -6.207  -2.351
  347    HA   MET  45           HA       MET  45 -22.456  -5.334  -5.182
  348    HB2  MET  45           HB2      MET  45 -23.340  -3.263  -4.739
  349    HB3  MET  45           HB3      MET  45 -24.365  -4.346  -3.829
  350    HG2  MET  45           HG2      MET  45 -23.661  -3.527  -1.788
  351    HG3  MET  45           HG3      MET  45 -22.049  -3.121  -2.350
  352    HE1  MET  45           HE1      MET  45 -22.351   0.315  -4.056
  353    HE2  MET  45           HE2      MET  45 -21.311  -1.064  -3.670
  354    HE3  MET  45           HE3      MET  45 -22.509  -1.199  -4.966
  355    H    GLY  46           H        GLY  46 -21.119  -3.465  -5.668
  356    HA2  GLY  46           HA2      GLY  46 -18.815  -2.945  -3.924
  357    HA3  GLY  46           HA3      GLY  46 -18.460  -4.012  -5.296
  358    H    LYS  47           H        LYS  47 -17.035  -2.004  -5.362
  359    HA   LYS  47           HA       LYS  47 -18.181  -0.279  -7.513
  360    HB2  LYS  47           HB2      LYS  47 -17.379   0.860  -5.300
  361    HB3  LYS  47           HB3      LYS  47 -15.759   0.392  -5.791
  362    HG2  LYS  47           HG2      LYS  47 -15.939   2.571  -6.625
  363    HG3  LYS  47           HG3      LYS  47 -16.325   1.592  -8.044
  364    HD2  LYS  47           HD2      LYS  47 -17.962   3.299  -8.026
  365    HD3  LYS  47           HD3      LYS  47 -18.790   1.869  -7.408
  366    HE2  LYS  47           HE2      LYS  47 -18.635   2.666  -5.125
  367    HE3  LYS  47           HE3      LYS  47 -17.575   3.999  -5.605
  368    HZ1  LYS  47           HZ1      LYS  47 -19.931   4.647  -5.288
  369    HZ2  LYS  47           HZ2      LYS  47 -19.381   5.008  -6.778
  370    HZ3  LYS  47           HZ3      LYS  47 -20.369   3.727  -6.577
  371    H    TRP  48           H        TRP  48 -17.404  -0.891  -9.458
  372    HA   TRP  48           HA       TRP  48 -14.965  -2.552  -9.664
  373    HB2  TRP  48           HB2      TRP  48 -16.973  -2.920 -11.136
  374    HB3  TRP  48           HB3      TRP  48 -16.674  -1.359 -11.877
  375    HD1  TRP  48           HD1      TRP  48 -13.303  -2.361 -11.682
  376    HE1  TRP  48           HE1      TRP  48 -12.448  -3.685 -13.628
  377    HE3  TRP  48           HE3      TRP  48 -17.803  -3.742 -13.736
  378    HZ2  TRP  48           HZ2      TRP  48 -13.523  -5.276 -15.781
  379    HZ3  TRP  48           HZ3      TRP  48 -17.815  -5.196 -15.752
  380    HH2  TRP  48           HH2      TRP  48 -15.692  -5.961 -16.774
  381    H    LYS  49           H        LYS  49 -13.152  -1.475  -9.273
  382    HA   LYS  49           HA       LYS  49 -12.818   1.400  -9.695
  383    HB2  LYS  49           HB2      LYS  49 -10.765  -0.694  -8.847
  384    HB3  LYS  49           HB3      LYS  49 -10.707   1.035  -8.532
  385    HG2  LYS  49           HG2      LYS  49 -12.688  -0.952  -7.313
  386    HG3  LYS  49           HG3      LYS  49 -11.218  -0.414  -6.550
  387    HD2  LYS  49           HD2      LYS  49 -13.421   1.551  -7.322
  388    HD3  LYS  49           HD3      LYS  49 -13.393   0.652  -5.801
  389    HE2  LYS  49           HE2      LYS  49 -10.966   1.531  -5.526
  390    HE3  LYS  49           HE3      LYS  49 -11.400   2.726  -6.761
  391    HZ1  LYS  49           HZ1      LYS  49 -12.877   2.293  -4.219
  392    HZ2  LYS  49           HZ2      LYS  49 -11.760   3.472  -4.451
  393    HZ3  LYS  49           HZ3      LYS  49 -13.140   3.521  -5.322
  394    H    LYS  50           H        LYS  50 -13.373   0.622 -12.141
  395    HA   LYS  50           HA       LYS  50 -11.547  -1.077 -13.540
  396    HB2  LYS  50           HB2      LYS  50 -13.916  -0.651 -14.189
  397    HB3  LYS  50           HB3      LYS  50 -13.486   0.996 -14.667
  398    HG2  LYS  50           HG2      LYS  50 -11.945   0.137 -16.381
  399    HG3  LYS  50           HG3      LYS  50 -12.230  -1.526 -15.859
  400    HD2  LYS  50           HD2      LYS  50 -14.372   0.321 -17.009
  401    HD3  LYS  50           HD3      LYS  50 -13.439  -0.860 -17.944
  402    HE2  LYS  50           HE2      LYS  50 -14.280  -2.678 -16.436
  403    HE3  LYS  50           HE3      LYS  50 -15.309  -1.501 -15.615
  404    HZ1  LYS  50           HZ1      LYS  50 -15.489  -2.246 -18.480
  405    HZ2  LYS  50           HZ2      LYS  50 -16.525  -2.700 -17.308
  406    HZ3  LYS  50           HZ3      LYS  50 -16.435  -1.130 -17.752
  407    H    LYS  51           H        LYS  51  -9.521  -0.651 -14.269
  408    HA   LYS  51           HA       LYS  51  -8.478   2.053 -14.079
  409    HB2  LYS  51           HB2      LYS  51  -7.356  -0.124 -13.338
  410    HB3  LYS  51           HB3      LYS  51  -6.983  -0.405 -15.045
  411    HG2  LYS  51           HG2      LYS  51  -5.680   1.684 -15.109
  412    HG3  LYS  51           HG3      LYS  51  -6.206   2.094 -13.463
  413    HD2  LYS  51           HD2      LYS  51  -4.944   0.263 -12.524
  414    HD3  LYS  51           HD3      LYS  51  -4.622  -0.416 -14.121
  415    HE2  LYS  51           HE2      LYS  51  -2.640   0.708 -13.219
  416    HE3  LYS  51           HE3      LYS  51  -3.187   1.441 -14.727
  417    HZ1  LYS  51           HZ1      LYS  51  -4.103   3.270 -13.501
  418    HZ2  LYS  51           HZ2      LYS  51  -3.776   2.558 -12.044
  419    HZ3  LYS  51           HZ3      LYS  51  -2.564   3.061 -13.008
  420    H    SER  52           H        SER  52 -10.468   2.094 -15.975
  421    HA   SER  52           HA       SER  52 -11.068   2.250 -18.171
  422    HB2  SER  52           HB2      SER  52  -8.588   4.000 -18.181
  423    HB3  SER  52           HB3      SER  52 -10.009   4.129 -19.244
  424    HG   SER  52           HG       SER  52  -9.772   4.618 -16.484
  425    H    ARG  53           H        ARG  53  -8.418   2.888 -20.045
  426    HA   ARG  53           HA       ARG  53  -7.963   0.039 -20.798
  427    HB2  ARG  53           HB2      ARG  53  -8.469   2.360 -22.729
  428    HB3  ARG  53           HB3      ARG  53  -8.000   0.715 -23.154
  429    HG2  ARG  53           HG2      ARG  53 -10.213   0.559 -23.563
  430    HG3  ARG  53           HG3      ARG  53 -10.196   0.006 -21.887
  431    HD2  ARG  53           HD2      ARG  53 -10.876   2.320 -21.171
  432    HD3  ARG  53           HD3      ARG  53 -10.861   2.822 -22.872
  433    HE   ARG  53           HE       ARG  53 -12.536   0.535 -22.545
  434   HH11  ARG  53          HH11      ARG  53 -12.509   4.016 -21.837
  435   HH12  ARG  53          HH12      ARG  53 -14.225   4.175 -21.847
  436   HH21  ARG  53          HH21      ARG  53 -14.825   0.751 -22.576
  437   HH22  ARG  53          HH22      ARG  53 -15.567   2.277 -22.284
  438    H    LYS  54           H        LYS  54  -6.174   1.452 -22.984
  439    HA   LYS  54           HA       LYS  54  -3.709   1.548 -21.614
  440    HB2  LYS  54           HB2      LYS  54  -4.051   1.364 -24.082
  441    HB3  LYS  54           HB3      LYS  54  -4.532   3.068 -24.130
  442    HG2  LYS  54           HG2      LYS  54  -2.286   3.741 -23.356
  443    HG3  LYS  54           HG3      LYS  54  -1.822   2.035 -23.181
  444    HD2  LYS  54           HD2      LYS  54  -2.119   1.711 -25.633
  445    HD3  LYS  54           HD3      LYS  54  -2.654   3.387 -25.788
  446    HE2  LYS  54           HE2      LYS  54  -0.371   3.297 -26.495
  447    HE3  LYS  54           HE3      LYS  54  -0.436   4.174 -24.965
  448    HZ1  LYS  54           HZ1      LYS  54   1.386   2.586 -25.033
  449    HZ2  LYS  54           HZ2      LYS  54   0.347   2.155 -23.858
  450    HZ3  LYS  54           HZ3      LYS  54   0.374   1.336 -25.276
  451    H    THR  55           H        THR  55  -6.264   3.970 -21.795
  452    HA   THR  55           HA       THR  55  -4.990   6.313 -21.000
  453    HB   THR  55           HB       THR  55  -7.378   6.630 -19.940
  454    HG1  THR  55           HG1      THR  55  -8.842   5.100 -20.881
  455   HG21  THR  55          HG21      THR  55  -6.690   7.513 -22.161
  456   HG22  THR  55          HG22      THR  55  -7.085   5.949 -22.907
  457   HG23  THR  55          HG23      THR  55  -8.364   6.940 -22.171
  458    H    SER  56           H        SER  56  -5.626   3.408 -19.084
  459    HA   SER  56           HA       SER  56  -5.054   2.750 -17.069
  460    HB2  SER  56           HB2      SER  56  -2.863   4.831 -17.367
  461    HB3  SER  56           HB3      SER  56  -2.834   3.419 -16.303
  462    HG   SER  56           HG       SER  56  -2.908   3.454 -19.148
  463    H    THR  57           H        THR  57  -6.579   5.661 -17.101
  464    HA   THR  57           HA       THR  57  -6.133   6.421 -14.296
  465    HB   THR  57           HB       THR  57  -8.163   7.343 -16.369
  466    HG1  THR  57           HG1      THR  57  -5.899   7.698 -16.858
  467   HG21  THR  57          HG21      THR  57  -8.916   7.973 -14.126
  468   HG22  THR  57          HG22      THR  57  -7.307   8.608 -13.722
  469   HG23  THR  57          HG23      THR  57  -8.308   9.405 -14.960
  470    H    ILE  58           H        ILE  58  -7.558   5.881 -12.573
  471    HA   ILE  58           HA       ILE  58  -9.369   3.654 -13.100
  472    HB   ILE  58           HB       ILE  58  -8.446   5.102 -10.621
  473   HG12  ILE  58          HG12      ILE  58  -8.218   2.286 -11.789
  474   HG13  ILE  58          HG13      ILE  58  -6.936   3.493 -11.651
  475   HG21  ILE  58          HG21      ILE  58  -9.810   3.577  -9.233
  476   HG22  ILE  58          HG22      ILE  58 -10.837   4.613 -10.200
  477   HG23  ILE  58          HG23      ILE  58 -10.584   2.926 -10.697
  478   HD11  ILE  58          HD11      ILE  58  -7.109   3.275  -9.149
  479   HD12  ILE  58          HD12      ILE  58  -8.242   1.918  -9.420
  480   HD13  ILE  58          HD13      ILE  58  -6.578   1.813 -10.018
  481    H    GLU  59           H        GLU  59 -11.475   3.588 -12.950
  482    HA   GLU  59           HA       GLU  59 -13.088   6.041 -12.586
  483    HB2  GLU  59           HB2      GLU  59 -13.461   3.897 -14.733
  484    HB3  GLU  59           HB3      GLU  59 -14.681   5.101 -14.285
  485    HG2  GLU  59           HG2      GLU  59 -13.063   6.918 -14.869
  486    HG3  GLU  59           HG3      GLU  59 -11.939   5.701 -15.467
  487    H    GLU  60           H        GLU  60 -15.191   5.447 -11.681
  488    HA   GLU  60           HA       GLU  60 -15.036   2.920 -10.090
  489    HB2  GLU  60           HB2      GLU  60 -15.692   5.762  -9.206
  490    HB3  GLU  60           HB3      GLU  60 -15.890   4.318  -8.215
  491    HG2  GLU  60           HG2      GLU  60 -13.422   3.846  -8.509
  492    HG3  GLU  60           HG3      GLU  60 -13.264   5.406  -9.323
  493    H    LYS  61           H        LYS  61 -16.626   1.700 -10.904
  494    HA   LYS  61           HA       LYS  61 -19.258   2.951 -11.614
  495    HB2  LYS  61           HB2      LYS  61 -18.073   1.896 -13.471
  496    HB3  LYS  61           HB3      LYS  61 -17.840   0.418 -12.530
  497    HG2  LYS  61           HG2      LYS  61 -20.260   0.006 -12.496
  498    HG3  LYS  61           HG3      LYS  61 -20.557   1.491 -13.393
  499    HD2  LYS  61           HD2      LYS  61 -18.744  -0.741 -14.433
  500    HD3  LYS  61           HD3      LYS  61 -20.473  -0.780 -14.690
  501    HE2  LYS  61           HE2      LYS  61 -18.627   1.466 -15.627
  502    HE3  LYS  61           HE3      LYS  61 -19.215   0.135 -16.630
  503    HZ1  LYS  61           HZ1      LYS  61 -20.574   2.078 -16.953
  504    HZ2  LYS  61           HZ2      LYS  61 -21.484   0.908 -16.244
  505    HZ3  LYS  61           HZ3      LYS  61 -20.940   2.174 -15.360
  506    H    THR  62           H        THR  62 -20.845   2.576 -10.079
  507    HA   THR  62           HA       THR  62 -20.466   0.641  -7.985
  508    HB   THR  62           HB       THR  62 -23.059   2.017  -8.794
  509    HG1  THR  62           HG1      THR  62 -22.324   3.831  -7.966
  510   HG21  THR  62          HG21      THR  62 -21.874   1.260  -6.080
  511   HG22  THR  62          HG22      THR  62 -23.465   2.007  -6.358
  512   HG23  THR  62          HG23      THR  62 -23.154   0.357  -6.919
  513    H    VAL  63           H        VAL  63 -21.104  -1.446  -7.900
  514    HA   VAL  63           HA       VAL  63 -22.790  -2.553 -10.109
  515    HB   VAL  63           HB       VAL  63 -21.187  -4.372 -10.276
  516   HG11  VAL  63          HG11      VAL  63 -19.655  -3.344 -11.815
  517   HG12  VAL  63          HG12      VAL  63 -21.218  -2.525 -11.942
  518   HG13  VAL  63          HG13      VAL  63 -19.880  -1.757 -11.062
  519   HG21  VAL  63          HG21      VAL  63 -19.171  -2.629  -8.821
  520   HG22  VAL  63          HG22      VAL  63 -19.901  -4.116  -8.172
  521   HG23  VAL  63          HG23      VAL  63 -18.858  -4.195  -9.595
  522    H    GLU  64           H        GLU  64 -23.681  -4.621  -9.723
  523    HA   GLU  64           HA       GLU  64 -23.785  -5.485  -6.861
  524    HB2  GLU  64           HB2      GLU  64 -25.966  -4.777  -7.799
  525    HB3  GLU  64           HB3      GLU  64 -25.811  -5.989  -9.076
  526    HG2  GLU  64           HG2      GLU  64 -25.778  -7.779  -7.348
  527    HG3  GLU  64           HG3      GLU  64 -25.849  -6.554  -6.080
  528    H    VAL  65           H        VAL  65 -22.565  -7.285  -6.546
  529    HA   VAL  65           HA       VAL  65 -21.449  -8.701  -8.891
  530    HB   VAL  65           HB       VAL  65 -20.696  -8.923  -5.945
  531   HG11  VAL  65          HG11      VAL  65 -18.597  -9.895  -6.929
  532   HG12  VAL  65          HG12      VAL  65 -20.024 -10.854  -7.341
  533   HG13  VAL  65          HG13      VAL  65 -19.320  -9.751  -8.545
  534   HG21  VAL  65          HG21      VAL  65 -20.217  -6.620  -6.629
  535   HG22  VAL  65          HG22      VAL  65 -18.709  -7.525  -6.552
  536   HG23  VAL  65          HG23      VAL  65 -19.455  -7.190  -8.131
  537    H    LEU  66           H        LEU  66 -22.548 -10.450  -9.533
  538    HA   LEU  66           HA       LEU  66 -24.865 -11.289  -7.991
  539    HB2  LEU  66           HB2      LEU  66 -23.806 -12.341 -10.640
  540    HB3  LEU  66           HB3      LEU  66 -25.410 -12.612  -9.966
  541    HG   LEU  66           HG       LEU  66 -24.271  -9.966 -10.965
  542   HD11  LEU  66          HD11      LEU  66 -24.961 -11.571 -12.706
  543   HD12  LEU  66          HD12      LEU  66 -26.574 -11.687 -11.970
  544   HD13  LEU  66          HD13      LEU  66 -26.018 -10.150 -12.666
  545   HD21  LEU  66          HD21      LEU  66 -26.542  -9.027 -10.548
  546   HD22  LEU  66          HD22      LEU  66 -26.984 -10.516  -9.683
  547   HD23  LEU  66          HD23      LEU  66 -25.702  -9.449  -9.061
  548    H    GLY  67           H        GLY  67 -21.642 -12.636  -8.647
  549    HA2  GLY  67           HA2      GLY  67 -21.404 -14.485  -6.687
  550    HA3  GLY  67           HA3      GLY  67 -22.320 -15.351  -7.944
  551    H    MET  68           H        MET  68 -19.963 -16.423  -7.615
  552    HA   MET  68           HA       MET  68 -17.832 -15.271  -9.219
  553    HB2  MET  68           HB2      MET  68 -18.316 -18.151  -8.370
  554    HB3  MET  68           HB3      MET  68 -16.922 -17.559  -9.270
  555    HG2  MET  68           HG2      MET  68 -16.895 -15.779  -7.209
  556    HG3  MET  68           HG3      MET  68 -17.628 -17.166  -6.406
  557    HE1  MET  68           HE1      MET  68 -14.819 -16.920  -9.257
  558    HE2  MET  68           HE2      MET  68 -14.513 -15.595  -8.113
  559    HE3  MET  68           HE3      MET  68 -13.378 -16.957  -8.236
  560    H    ALA  69           H        ALA  69 -17.192 -15.859 -11.291
  561    HA   ALA  69           HA       ALA  69 -19.267 -16.396 -13.261
  562    HB1  ALA  69           HB1      ALA  69 -16.229 -16.372 -13.487
  563    HB2  ALA  69           HB2      ALA  69 -17.372 -16.218 -14.827
  564    HB3  ALA  69           HB3      ALA  69 -17.257 -14.922 -13.633
  565    HA   PRO  70           HA       PRO  70 -18.913 -20.867 -13.629
  566    HB2  PRO  70           HB2      PRO  70 -17.658 -20.402 -16.349
  567    HB3  PRO  70           HB3      PRO  70 -18.894 -21.612 -15.875
  568    HG2  PRO  70           HG2      PRO  70 -19.660 -19.339 -17.122
  569    HG3  PRO  70           HG3      PRO  70 -20.584 -19.916 -15.696
  570    HD2  PRO  70           HD2      PRO  70 -18.479 -17.758 -15.830
  571    HD3  PRO  70           HD3      PRO  70 -20.043 -17.744 -14.959
  572    H    ASP  71           H        ASP  71 -17.397 -22.395 -13.056
  573    HA   ASP  71           HA       ASP  71 -14.843 -21.614 -12.211
  574    HB2  ASP  71           HB2      ASP  71 -14.457 -23.836 -11.617
  575    HB3  ASP  71           HB3      ASP  71 -16.190 -23.622 -11.427
  576    H    ASP  72           H        ASP  72 -15.918 -22.840 -15.340
  577    HA   ASP  72           HA       ASP  72 -13.449 -23.586 -16.485
  578    HB2  ASP  72           HB2      ASP  72 -15.621 -24.098 -17.487
  579    HB3  ASP  72           HB3      ASP  72 -15.937 -22.380 -17.750
  580    H    GLU  73           H        GLU  73 -14.824 -20.343 -15.942
  581    HA   GLU  73           HA       GLU  73 -12.711 -19.068 -17.597
  582    HB2  GLU  73           HB2      GLU  73 -14.999 -17.889 -15.953
  583    HB3  GLU  73           HB3      GLU  73 -13.792 -16.957 -16.849
  584    HG2  GLU  73           HG2      GLU  73 -14.487 -18.218 -18.945
  585    HG3  GLU  73           HG3      GLU  73 -15.823 -18.904 -18.018
  586    H    CYS  74           H        CYS  74 -13.546 -19.805 -14.235
  587    HA   CYS  74           HA       CYS  74 -11.657 -17.964 -13.110
  588    HB2  CYS  74           HB2      CYS  74 -13.138 -20.274 -11.809
  589    HB3  CYS  74           HB3      CYS  74 -12.259 -18.986 -10.969
  590    HG   CYS  74           HG       CYS  74 -14.919 -18.792 -12.941
  591    H    LEU  75           H        LEU  75 -10.580 -20.110 -14.974
  592    HA   LEU  75           HA       LEU  75  -8.869 -21.826 -13.380
  593    HB2  LEU  75           HB2      LEU  75  -9.477 -21.392 -16.269
  594    HB3  LEU  75           HB3      LEU  75  -7.790 -21.706 -15.969
  595    HG   LEU  75           HG       LEU  75  -8.850 -23.747 -16.518
  596   HD11  LEU  75          HD11      LEU  75  -8.135 -25.165 -14.740
  597   HD12  LEU  75          HD12      LEU  75  -7.063 -23.753 -14.754
  598   HD13  LEU  75          HD13      LEU  75  -8.329 -23.901 -13.519
  599   HD21  LEU  75          HD21      LEU  75 -10.622 -24.799 -15.198
  600   HD22  LEU  75          HD22      LEU  75 -10.718 -23.368 -14.154
  601   HD23  LEU  75          HD23      LEU  75 -11.156 -23.247 -15.863
  602    H    LYS  76           H        LYS  76  -8.708 -18.514 -14.261
  603    HA   LYS  76           HA       LYS  76  -5.783 -18.466 -13.697
  604    HB2  LYS  76           HB2      LYS  76  -5.434 -16.943 -15.556
  605    HB3  LYS  76           HB3      LYS  76  -6.077 -18.490 -16.110
  606    HG2  LYS  76           HG2      LYS  76  -8.351 -17.452 -16.311
  607    HG3  LYS  76           HG3      LYS  76  -7.664 -15.897 -15.798
  608    HD2  LYS  76           HD2      LYS  76  -6.147 -15.920 -17.759
  609    HD3  LYS  76           HD3      LYS  76  -6.836 -17.478 -18.272
  610    HE2  LYS  76           HE2      LYS  76  -9.081 -16.421 -18.448
  611    HE3  LYS  76           HE3      LYS  76  -8.393 -14.874 -17.938
  612    HZ1  LYS  76           HZ1      LYS  76  -7.026 -14.894 -19.944
  613    HZ2  LYS  76           HZ2      LYS  76  -7.666 -16.322 -20.419
  614    HZ3  LYS  76           HZ3      LYS  76  -8.604 -14.993 -20.334
  615    H    ASP  77           H        ASP  77  -8.901 -16.836 -13.336
  616    HA   ASP  77           HA       ASP  77  -7.676 -15.026 -11.365
  617    HB2  ASP  77           HB2      ASP  77  -7.522 -13.746 -13.496
  618    HB3  ASP  77           HB3      ASP  77  -9.237 -14.014 -13.785
  619    H    MET  78           H        MET  78  -9.408 -14.218  -9.927
  620    HA   MET  78           HA       MET  78 -11.677 -16.076  -9.781
  621    HB2  MET  78           HB2      MET  78 -10.761 -13.798  -7.983
  622    HB3  MET  78           HB3      MET  78 -12.154 -14.831  -7.667
  623    HG2  MET  78           HG2      MET  78  -9.259 -15.751  -7.872
  624    HG3  MET  78           HG3      MET  78 -10.183 -15.531  -6.400
  625    HE1  MET  78           HE1      MET  78  -8.743 -18.060  -8.665
  626    HE2  MET  78           HE2      MET  78 -10.005 -19.261  -9.008
  627    HE3  MET  78           HE3      MET  78 -10.058 -17.681  -9.801
  628    H    TYR  79           H        TYR  79 -12.685 -15.468 -11.791
  629    HA   TYR  79           HA       TYR  79 -13.611 -12.755 -12.214
  630    HB2  TYR  79           HB2      TYR  79 -14.182 -15.430 -13.539
  631    HB3  TYR  79           HB3      TYR  79 -14.969 -13.939 -14.032
  632    HD1  TYR  79           HD1      TYR  79 -13.536 -11.965 -14.804
  633    HD2  TYR  79           HD2      TYR  79 -12.025 -15.989 -14.420
  634    HE1  TYR  79           HE1      TYR  79 -11.724 -11.426 -16.394
  635    HE2  TYR  79           HE2      TYR  79 -10.225 -15.473 -16.028
  636    HH   TYR  79           HH       TYR  79  -9.846 -12.223 -17.529
  637    H    VAL  80           H        VAL  80 -15.727 -11.976 -12.018
  638    HA   VAL  80           HA       VAL  80 -17.752 -13.699 -10.670
  639    HB   VAL  80           HB       VAL  80 -18.358 -11.679  -9.353
  640   HG11  VAL  80          HG11      VAL  80 -15.539 -12.717  -8.842
  641   HG12  VAL  80          HG12      VAL  80 -16.587 -11.897  -7.666
  642   HG13  VAL  80          HG13      VAL  80 -17.057 -13.469  -8.307
  643   HG21  VAL  80          HG21      VAL  80 -17.231  -9.915 -10.707
  644   HG22  VAL  80          HG22      VAL  80 -16.761  -9.859  -9.005
  645   HG23  VAL  80          HG23      VAL  80 -15.649 -10.548 -10.198
  646    H    GLU  81           H        GLU  81 -19.902 -13.284 -11.211
  647    HA   GLU  81           HA       GLU  81 -20.373 -11.819 -13.756
  648    HB2  GLU  81           HB2      GLU  81 -22.169 -13.478 -11.924
  649    HB3  GLU  81           HB3      GLU  81 -22.749 -12.559 -13.325
  650    HG2  GLU  81           HG2      GLU  81 -21.182 -13.857 -14.787
  651    HG3  GLU  81           HG3      GLU  81 -20.740 -14.838 -13.390
  652    H    VAL  82           H        VAL  82 -21.541  -9.872 -13.787
  653    HA   VAL  82           HA       VAL  82 -22.150  -8.615 -11.185
  654    HB   VAL  82           HB       VAL  82 -19.724  -8.400 -11.559
  655   HG11  VAL  82          HG11      VAL  82 -19.516  -8.538 -13.979
  656   HG12  VAL  82          HG12      VAL  82 -20.407  -7.011 -14.186
  657   HG13  VAL  82          HG13      VAL  82 -18.828  -7.016 -13.409
  658   HG21  VAL  82          HG21      VAL  82 -19.498  -6.027 -11.322
  659   HG22  VAL  82          HG22      VAL  82 -21.117  -5.767 -12.014
  660   HG23  VAL  82          HG23      VAL  82 -20.926  -6.606 -10.447
  661    H    ALA  83           H        ALA  83 -23.672  -7.012 -11.341
  662    HA   ALA  83           HA       ALA  83 -24.756  -6.397 -14.061
  663    HB1  ALA  83           HB1      ALA  83 -26.876  -5.931 -12.955
  664    HB2  ALA  83           HB2      ALA  83 -26.355  -7.589 -12.611
  665    HB3  ALA  83           HB3      ALA  83 -26.170  -6.328 -11.370
  666    H    ASP  84           H        ASP  84 -24.822  -4.288 -14.675
  667    HA   ASP  84           HA       ASP  84 -23.173  -2.428 -13.122
  668    HB2  ASP  84           HB2      ASP  84 -22.776  -2.743 -15.507
  669    HB3  ASP  84           HB3      ASP  84 -24.431  -2.229 -15.872
  670    H    ILE  85           H        ILE  85 -24.889  -2.432 -11.401
  671    HA   ILE  85           HA       ILE  85 -27.364  -1.085 -11.791
  672    HB   ILE  85           HB       ILE  85 -27.481  -0.842  -9.404
  673   HG12  ILE  85          HG12      ILE  85 -24.595  -1.758  -9.254
  674   HG13  ILE  85          HG13      ILE  85 -25.140  -0.111  -8.959
  675   HG21  ILE  85          HG21      ILE  85 -27.849  -3.065 -10.544
  676   HG22  ILE  85          HG22      ILE  85 -26.212  -3.539 -10.047
  677   HG23  ILE  85          HG23      ILE  85 -27.457  -3.175  -8.832
  678   HD11  ILE  85          HD11      ILE  85 -25.874  -2.550  -7.290
  679   HD12  ILE  85          HD12      ILE  85 -24.778  -1.249  -6.841
  680   HD13  ILE  85          HD13      ILE  85 -26.508  -0.907  -7.042
  681    H    GLY  86           H        GLY  86 -24.290   0.261 -12.132
  682    HA2  GLY  86           HA2      GLY  86 -25.065   2.990 -11.293
  683    HA3  GLY  86           HA3      GLY  86 -23.478   2.420 -11.829
  684    H    GLY  87           H        GLY  87 -24.970   1.006 -14.200
  685    HA2  GLY  87           HA2      GLY  87 -25.314   3.445 -15.918
  686    HA3  GLY  87           HA3      GLY  87 -24.158   2.154 -16.254
  687    H    LYS  88           H        LYS  88 -26.409   0.151 -15.323
  688    HA   LYS  88           HA       LYS  88 -28.181   0.340 -17.724
  689    HB2  LYS  88           HB2      LYS  88 -26.550  -2.097 -16.865
  690    HB3  LYS  88           HB3      LYS  88 -27.836  -2.141 -18.049
  691    HG2  LYS  88           HG2      LYS  88 -25.242  -0.565 -18.330
  692    HG3  LYS  88           HG3      LYS  88 -25.570  -2.136 -19.041
  693    HD2  LYS  88           HD2      LYS  88 -27.077   0.427 -19.719
  694    HD3  LYS  88           HD3      LYS  88 -25.780  -0.300 -20.670
  695    HE2  LYS  88           HE2      LYS  88 -27.153  -2.362 -20.963
  696    HE3  LYS  88           HE3      LYS  88 -28.471  -1.606 -20.056
  697    HZ1  LYS  88           HZ1      LYS  88 -28.591   0.098 -21.783
  698    HZ2  LYS  88           HZ2      LYS  88 -27.377  -0.606 -22.622
  699    HZ3  LYS  88           HZ3      LYS  88 -28.795  -1.380 -22.434
  700    H    ASP  89           H        ASP  89 -27.453  -1.271 -14.648
  701    HA   ASP  89           HA       ASP  89 -28.555  -2.301 -13.072
  702    HB2  ASP  89           HB2      ASP  89 -29.678  -0.181 -12.739
  703    HB3  ASP  89           HB3      ASP  89 -30.905  -0.596 -13.937
  704    H    ASP  90           H        ASP  90 -30.111  -2.544 -16.193
  705    HA   ASP  90           HA       ASP  90 -31.520  -5.031 -15.450
  706    HB2  ASP  90           HB2      ASP  90 -32.692  -3.038 -16.412
  707    HB3  ASP  90           HB3      ASP  90 -31.706  -3.209 -17.867
  708    H    ASP  91           H        ASP  91 -28.491  -4.507 -16.449
  709    HA   ASP  91           HA       ASP  91 -28.457  -6.911 -18.177
  710    HB2  ASP  91           HB2      ASP  91 -28.324  -4.779 -19.597
  711    HB3  ASP  91           HB3      ASP  91 -26.737  -4.529 -18.844
  712    H    VAL  92           H        VAL  92 -26.322  -7.831 -18.375
  713    HA   VAL  92           HA       VAL  92 -24.746  -7.626 -15.859
  714    HB   VAL  92           HB       VAL  92 -25.880 -10.114 -17.212
  715   HG11  VAL  92          HG11      VAL  92 -25.136 -11.361 -15.225
  716   HG12  VAL  92          HG12      VAL  92 -23.768 -10.664 -16.080
  717   HG13  VAL  92          HG13      VAL  92 -24.355  -9.901 -14.585
  718   HG21  VAL  92          HG21      VAL  92 -27.252 -10.353 -15.120
  719   HG22  VAL  92          HG22      VAL  92 -26.722  -8.727 -14.635
  720   HG23  VAL  92          HG23      VAL  92 -27.706  -8.962 -16.095
  721    H    TYR  93           H        TYR  93 -22.635  -8.245 -15.979
  722    HA   TYR  93           HA       TYR  93 -21.358  -9.037 -18.534
  723    HB2  TYR  93           HB2      TYR  93 -20.403  -6.825 -16.660
  724    HB3  TYR  93           HB3      TYR  93 -19.614  -7.349 -18.135
  725    HD1  TYR  93           HD1      TYR  93 -20.605  -6.838 -20.375
  726    HD2  TYR  93           HD2      TYR  93 -22.243  -5.243 -16.713
  727    HE1  TYR  93           HE1      TYR  93 -21.783  -5.085 -21.670
  728    HE2  TYR  93           HE2      TYR  93 -23.434  -3.500 -17.994
  729    HH   TYR  93           HH       TYR  93 -23.792  -2.553 -20.109
  730    H    THR  94           H        THR  94 -18.778  -9.163 -17.628
  731    HA   THR  94           HA       THR  94 -18.771 -10.652 -15.062
  732    HB   THR  94           HB       THR  94 -17.147 -11.323 -17.546
  733    HG1  THR  94           HG1      THR  94 -18.500 -13.024 -17.807
  734   HG21  THR  94          HG21      THR  94 -16.538 -13.389 -16.314
  735   HG22  THR  94          HG22      THR  94 -15.972 -11.952 -15.461
  736   HG23  THR  94          HG23      THR  94 -17.422 -12.804 -14.888
  737    H    ALA  95           H        ALA  95 -16.932 -10.209 -13.797
  738    HA   ALA  95           HA       ALA  95 -15.015  -8.155 -14.764
  739    HB1  ALA  95           HB1      ALA  95 -15.202  -6.984 -12.554
  740    HB2  ALA  95           HB2      ALA  95 -16.668  -6.869 -13.522
  741    HB3  ALA  95           HB3      ALA  95 -16.599  -8.010 -12.159
  742    H    LYS  96           H        LYS  96 -13.116  -8.043 -13.460
  743    HA   LYS  96           HA       LYS  96 -12.215 -10.650 -12.385
  744    HB2  LYS  96           HB2      LYS  96 -10.801  -7.951 -12.484
  745    HB3  LYS  96           HB3      LYS  96 -10.056  -9.503 -12.192
  746    HG2  LYS  96           HG2      LYS  96  -9.971 -10.084 -14.402
  747    HG3  LYS  96           HG3      LYS  96 -11.469  -9.282 -14.839
  748    HD2  LYS  96           HD2      LYS  96  -8.860  -7.839 -14.257
  749    HD3  LYS  96           HD3      LYS  96  -9.471  -8.232 -15.871
  750    HE2  LYS  96           HE2      LYS  96 -11.457  -6.797 -15.537
  751    HE3  LYS  96           HE3      LYS  96 -10.990  -6.495 -13.869
  752    HZ1  LYS  96           HZ1      LYS  96  -8.858  -5.539 -14.901
  753    HZ2  LYS  96           HZ2      LYS  96  -9.719  -5.435 -16.287
  754    HZ3  LYS  96           HZ3      LYS  96 -10.214  -4.646 -14.918
  755    H    LEU  97           H        LEU  97 -12.475 -11.053 -10.114
  756    HA   LEU  97           HA       LEU  97 -13.536  -9.066  -8.356
  757    HB2  LEU  97           HB2      LEU  97 -13.598 -11.516  -7.927
  758    HB3  LEU  97           HB3      LEU  97 -11.840 -11.515  -7.723
  759    HG   LEU  97           HG       LEU  97 -12.085 -10.024  -5.740
  760   HD11  LEU  97          HD11      LEU  97 -14.409  -9.761  -4.764
  761   HD12  LEU  97          HD12      LEU  97 -14.170  -8.848  -6.245
  762   HD13  LEU  97          HD13      LEU  97 -15.077 -10.377  -6.282
  763   HD21  LEU  97          HD21      LEU  97 -12.874 -11.750  -4.258
  764   HD22  LEU  97          HD22      LEU  97 -13.821 -12.510  -5.559
  765   HD23  LEU  97          HD23      LEU  97 -12.041 -12.526  -5.597
  766    H    SER  98           H        SER  98 -10.262  -9.951  -9.316
  767    HA   SER  98           HA       SER  98  -8.579  -8.516  -7.720
  768    HB2  SER  98           HB2      SER  98  -8.433  -8.819 -10.745
  769    HB3  SER  98           HB3      SER  98  -7.076  -8.753  -9.611
  770    HG   SER  98           HG       SER  98  -7.996 -10.927 -10.437
  771    H    ASP  99           H        ASP  99 -10.980  -7.091  -9.822
  772    HA   ASP  99           HA       ASP  99  -9.597  -4.469  -9.736
  773    HB2  ASP  99           HB2      ASP  99  -9.750  -5.784 -11.950
  774    HB3  ASP  99           HB3      ASP  99 -11.482  -5.458 -11.901
  775    H    ILE 100           H        ILE 100 -11.763  -5.919  -8.070
  776    HA   ILE 100           HA       ILE 100 -13.758  -3.699  -8.028
  777    HB   ILE 100           HB       ILE 100 -14.049  -6.644  -8.139
  778   HG12  ILE 100          HG12      ILE 100 -15.985  -4.366  -8.714
  779   HG13  ILE 100          HG13      ILE 100 -14.774  -4.964  -9.869
  780   HG21  ILE 100          HG21      ILE 100 -14.800  -6.359  -5.792
  781   HG22  ILE 100          HG22      ILE 100 -16.019  -5.183  -6.348
  782   HG23  ILE 100          HG23      ILE 100 -16.081  -6.879  -6.864
  783   HD11  ILE 100          HD11      ILE 100 -17.176  -6.468  -8.785
  784   HD12  ILE 100          HD12      ILE 100 -16.885  -5.923 -10.442
  785   HD13  ILE 100          HD13      ILE 100 -15.882  -7.223  -9.755
  786    H    GLU 101           H        GLU 101 -14.604  -3.147  -6.094
  787    HA   GLU 101           HA       GLU 101 -13.113  -3.863  -3.609
  788    HB2  GLU 101           HB2      GLU 101 -12.504  -1.621  -4.374
  789    HB3  GLU 101           HB3      GLU 101 -14.210  -1.177  -4.553
  790    HG2  GLU 101           HG2      GLU 101 -14.571  -1.290  -2.161
  791    HG3  GLU 101           HG3      GLU 101 -12.985  -2.022  -1.905
  792    H    ALA 102           H        ALA 102 -14.490  -4.883  -2.221
  793    HA   ALA 102           HA       ALA 102 -17.330  -5.073  -2.898
  794    HB1  ALA 102           HB1      ALA 102 -15.993  -7.002  -2.090
  795    HB2  ALA 102           HB2      ALA 102 -15.799  -6.207  -0.511
  796    HB3  ALA 102           HB3      ALA 102 -17.416  -6.683  -1.079
  797    H    ILE 103           H        ILE 103 -19.001  -4.165  -1.828
  798    HA   ILE 103           HA       ILE 103 -18.484  -2.364   0.502
  799    HB   ILE 103           HB       ILE 103 -19.992  -1.908  -2.083
  800   HG12  ILE 103          HG12      ILE 103 -17.819  -0.255  -0.713
  801   HG13  ILE 103          HG13      ILE 103 -17.518  -1.419  -2.003
  802   HG21  ILE 103          HG21      ILE 103 -20.829   0.241  -1.203
  803   HG22  ILE 103          HG22      ILE 103 -21.467  -1.094  -0.280
  804   HG23  ILE 103          HG23      ILE 103 -20.131  -0.128   0.390
  805   HD11  ILE 103          HD11      ILE 103 -17.553   0.726  -2.984
  806   HD12  ILE 103          HD12      ILE 103 -19.012  -0.150  -3.510
  807   HD13  ILE 103          HD13      ILE 103 -19.121   1.129  -2.269
  808    H    ASP 104           H        ASP 104 -20.000  -2.395   2.084
  809    HA   ASP 104           HA       ASP 104 -21.676  -3.092   3.383
  810    HB2  ASP 104           HB2      ASP 104 -22.779  -1.500   1.860
  811    HB3  ASP 104           HB3      ASP 104 -23.297  -2.839   0.834
  812    H    VAL 105           H        VAL 105 -20.119  -5.253   2.495
  813    HA   VAL 105           HA       VAL 105 -22.127  -7.451   2.374
  814    HB   VAL 105           HB       VAL 105 -20.468  -7.099   0.477
  815   HG11  VAL 105          HG11      VAL 105 -18.254  -8.064   0.659
  816   HG12  VAL 105          HG12      VAL 105 -18.413  -6.685   1.756
  817   HG13  VAL 105          HG13      VAL 105 -18.480  -8.342   2.392
  818   HG21  VAL 105          HG21      VAL 105 -20.521  -9.850   1.718
  819   HG22  VAL 105          HG22      VAL 105 -21.854  -9.106   0.831
  820   HG23  VAL 105          HG23      VAL 105 -20.315  -9.402   0.015
  821    H    ASP 106           H        ASP 106 -21.278  -9.551   3.428
  822    HA   ASP 106           HA       ASP 106 -21.007  -9.090   6.247
  823    HB2  ASP 106           HB2      ASP 106 -22.161 -11.056   5.285
  824    HB3  ASP 106           HB3      ASP 106 -20.622 -11.610   4.596
  825    H    ASP 107           H        ASP 107 -19.295  -9.754   7.583
  826    HA   ASP 107           HA       ASP 107 -16.756  -8.728   6.898
  827    HB2  ASP 107           HB2      ASP 107 -17.572  -8.883   9.197
  828    HB3  ASP 107           HB3      ASP 107 -17.580 -10.647   9.108
  829    H    ASP 108           H        ASP 108 -17.906 -12.177   6.834
  830    HA   ASP 108           HA       ASP 108 -15.194 -13.108   6.413
  831    HB2  ASP 108           HB2      ASP 108 -17.208 -14.406   7.411
  832    HB3  ASP 108           HB3      ASP 108 -17.689 -14.683   5.728
  833    H    THR 109           H        THR 109 -17.771 -11.958   4.350
  834    HA   THR 109           HA       THR 109 -16.707 -13.048   1.834
  835    HB   THR 109           HB       THR 109 -18.739 -10.832   2.412
  836    HG1  THR 109           HG1      THR 109 -19.213 -13.077   3.053
  837   HG21  THR 109          HG21      THR 109 -17.868 -12.214  -0.118
  838   HG22  THR 109          HG22      THR 109 -19.471 -11.495   0.024
  839   HG23  THR 109          HG23      THR 109 -18.017 -10.481   0.180
  840    H    GLN 110           H        GLN 110 -16.766  -9.844   3.548
  841    HA   GLN 110           HA       GLN 110 -15.172  -8.504   1.667
  842    HB2  GLN 110           HB2      GLN 110 -16.557  -7.690   3.784
  843    HB3  GLN 110           HB3      GLN 110 -15.018  -7.839   4.623
  844    HG2  GLN 110           HG2      GLN 110 -15.606  -6.151   2.143
  845    HG3  GLN 110           HG3      GLN 110 -15.473  -5.545   3.786
  846   HE21  GLN 110          HE22      GLN 110 -13.729  -6.047   0.901
  847   HE22  GLN 110          HE21      GLN 110 -12.118  -5.912   1.552
  848    H    GLU 111           H        GLU 111 -14.185 -10.340   4.629
  849    HA   GLU 111           HA       GLU 111 -11.407  -9.854   4.353
  850    HB2  GLU 111           HB2      GLU 111 -13.012 -12.066   5.685
  851    HB3  GLU 111           HB3      GLU 111 -11.254 -12.021   5.753
  852    HG2  GLU 111           HG2      GLU 111 -12.994  -9.696   6.698
  853    HG3  GLU 111           HG3      GLU 111 -12.458 -11.008   7.740
  854    H    ALA 112           H        ALA 112 -13.453 -12.473   2.898
  855    HA   ALA 112           HA       ALA 112 -11.219 -13.948   1.865
  856    HB1  ALA 112           HB1      ALA 112 -12.862 -15.004   0.376
  857    HB2  ALA 112           HB2      ALA 112 -13.495 -14.891   2.026
  858    HB3  ALA 112           HB3      ALA 112 -14.064 -13.759   0.775
  859    H    ILE 113           H        ILE 113 -13.187 -11.269   0.528
  860    HA   ILE 113           HA       ILE 113 -11.916 -11.245  -2.045
  861    HB   ILE 113           HB       ILE 113 -13.533  -9.179  -0.496
  862   HG12  ILE 113          HG12      ILE 113 -14.350 -10.975  -2.831
  863   HG13  ILE 113          HG13      ILE 113 -14.622 -11.405  -1.165
  864   HG21  ILE 113          HG21      ILE 113 -13.855  -8.047  -2.732
  865   HG22  ILE 113          HG22      ILE 113 -12.213  -7.943  -2.117
  866   HG23  ILE 113          HG23      ILE 113 -12.593  -9.107  -3.395
  867   HD11  ILE 113          HD11      ILE 113 -16.647 -10.514  -1.937
  868   HD12  ILE 113          HD12      ILE 113 -15.947  -9.268  -0.886
  869   HD13  ILE 113          HD13      ILE 113 -15.864  -9.107  -2.666
  870    H    ALA 114           H        ALA 114 -11.369  -9.347   0.982
  871    HA   ALA 114           HA       ALA 114  -9.239  -7.755   0.011
  872    HB1  ALA 114           HB1      ALA 114  -9.709  -8.832   2.828
  873    HB2  ALA 114           HB2      ALA 114  -8.662  -7.471   2.384
  874    HB3  ALA 114           HB3      ALA 114 -10.416  -7.345   2.155
  875    H    ASP 115           H        ASP 115  -9.262 -11.044   1.454
  876    HA   ASP 115           HA       ASP 115  -6.417 -11.320   1.544
  877    HB2  ASP 115           HB2      ASP 115  -7.931 -12.673   2.909
  878    HB3  ASP 115           HB3      ASP 115  -8.582 -13.444   1.456
  879    H    TRP 116           H        TRP 116  -8.832 -12.178  -1.003
  880    HA   TRP 116           HA       TRP 116  -6.971 -13.388  -2.807
  881    HB2  TRP 116           HB2      TRP 116  -9.301 -13.618  -3.275
  882    HB3  TRP 116           HB3      TRP 116  -9.573 -11.884  -3.210
  883    HD1  TRP 116           HD1      TRP 116  -9.609 -10.648  -5.418
  884    HE1  TRP 116           HE1      TRP 116  -8.776 -11.053  -7.825
  885    HE3  TRP 116           HE3      TRP 116  -7.189 -15.115  -4.749
  886    HZ2  TRP 116           HZ2      TRP 116  -7.343 -13.055  -9.270
  887    HZ3  TRP 116           HZ3      TRP 116  -6.086 -16.236  -6.658
  888    HH2  TRP 116           HH2      TRP 116  -6.146 -15.216  -8.918
  889    H    LEU 117           H        LEU 117  -7.952  -9.950  -2.352
  890    HA   LEU 117           HA       LEU 117  -6.302  -8.946  -4.457
  891    HB2  LEU 117           HB2      LEU 117  -7.412  -7.645  -1.939
  892    HB3  LEU 117           HB3      LEU 117  -6.565  -6.748  -3.188
  893    HG   LEU 117           HG       LEU 117  -9.021  -8.428  -3.849
  894   HD11  LEU 117          HD11      LEU 117  -8.960  -5.511  -2.981
  895   HD12  LEU 117          HD12      LEU 117 -10.365  -6.373  -3.653
  896   HD13  LEU 117          HD13      LEU 117  -9.691  -6.872  -2.096
  897   HD21  LEU 117          HD21      LEU 117  -7.766  -6.017  -5.225
  898   HD22  LEU 117          HD22      LEU 117  -7.620  -7.703  -5.757
  899   HD23  LEU 117          HD23      LEU 117  -9.203  -6.911  -5.763
  900    H    TYR 118           H        TYR 118  -5.666  -9.424  -0.934
  901    HA   TYR 118           HA       TYR 118  -3.030  -8.345  -0.958
  902    HB2  TYR 118           HB2      TYR 118  -4.160 -10.558   0.793
  903    HB3  TYR 118           HB3      TYR 118  -2.687  -9.660   1.095
  904    HD1  TYR 118           HD1      TYR 118  -4.062  -6.842   0.264
  905    HD2  TYR 118           HD2      TYR 118  -5.001 -10.048   3.006
  906    HE1  TYR 118           HE1      TYR 118  -5.316  -5.263   1.677
  907    HE2  TYR 118           HE2      TYR 118  -6.262  -8.470   4.424
  908    HH   TYR 118           HH       TYR 118  -6.961  -6.263   4.715
  909    H    TRP 119           H        TRP 119  -4.186 -11.732  -1.551
  910    HA   TRP 119           HA       TRP 119  -1.606 -12.863  -1.948
  911    HB2  TRP 119           HB2      TRP 119  -3.323 -14.412  -1.741
  912    HB3  TRP 119           HB3      TRP 119  -4.410 -13.534  -2.806
  913    HD1  TRP 119           HD1      TRP 119  -4.563 -14.209  -5.233
  914    HE1  TRP 119           HE1      TRP 119  -3.424 -15.894  -6.777
  915    HE3  TRP 119           HE3      TRP 119  -0.729 -15.619  -2.142
  916    HZ2  TRP 119           HZ2      TRP 119  -1.100 -17.635  -6.682
  917    HZ3  TRP 119           HZ3      TRP 119   0.955 -17.267  -2.916
  918    HH2  TRP 119           HH2      TRP 119   0.779 -18.277  -5.182
  919    H    LEU 120           H        LEU 120  -3.820 -11.163  -4.218
  920    HA   LEU 120           HA       LEU 120  -2.416 -11.744  -6.570
  921    HB2  LEU 120           HB2      LEU 120  -4.733 -10.600  -6.237
  922    HB3  LEU 120           HB3      LEU 120  -3.833  -9.111  -5.975
  923    HG   LEU 120           HG       LEU 120  -2.705  -9.720  -8.311
  924   HD11  LEU 120          HD11      LEU 120  -4.171 -10.948  -9.813
  925   HD12  LEU 120          HD12      LEU 120  -3.869 -11.977  -8.402
  926   HD13  LEU 120          HD13      LEU 120  -5.408 -11.122  -8.551
  927   HD21  LEU 120          HD21      LEU 120  -4.537  -8.466  -9.453
  928   HD22  LEU 120          HD22      LEU 120  -5.536  -8.648  -7.988
  929   HD23  LEU 120          HD23      LEU 120  -4.028  -7.715  -7.933
  930    H    ALA 121           H        ALA 121  -2.095  -9.077  -4.225
  931    HA   ALA 121           HA       ALA 121   0.080  -7.715  -5.504
  932    HB1  ALA 121           HB1      ALA 121   0.120  -6.485  -3.349
  933    HB2  ALA 121           HB2      ALA 121  -1.541  -6.672  -3.950
  934    HB3  ALA 121           HB3      ALA 121  -0.958  -7.703  -2.631
  935    H    ARG 122           H        ARG 122  -0.073 -10.172  -2.897
  936    HA   ARG 122           HA       ARG 122   2.597 -10.181  -2.045
  937    HB2  ARG 122           HB2      ARG 122   0.671 -11.362  -0.977
  938    HB3  ARG 122           HB3      ARG 122   0.620 -12.485  -2.327
  939    HG2  ARG 122           HG2      ARG 122   1.556 -13.564  -0.456
  940    HG3  ARG 122           HG3      ARG 122   2.813 -13.422  -1.674
  941    HD2  ARG 122           HD2      ARG 122   2.628 -11.236   0.381
  942    HD3  ARG 122           HD3      ARG 122   3.132 -12.811   0.973
  943    HE   ARG 122           HE       ARG 122   4.580 -10.953  -0.742
  944   HH11  ARG 122          HH11      ARG 122   4.476 -14.335   0.497
  945   HH12  ARG 122          HH12      ARG 122   6.221 -14.441   0.518
  946   HH21  ARG 122          HH22      ARG 122   6.827 -11.362  -1.058
  947   HH22  ARG 122          HH21      ARG 122   7.515 -12.870  -0.571
  948    H    GLY 123           H        GLY 123   1.187 -11.558  -4.993
  949    HA2  GLY 123           HA2      GLY 123   3.179 -11.783  -6.689
  950    HA3  GLY 123           HA3      GLY 123   3.658 -13.095  -5.594
  951    H    TYR 124           H        TYR 124   1.017 -11.931  -7.751
  952    HA   TYR 124           HA       TYR 124  -0.728 -14.148  -7.526
  953    HB2  TYR 124           HB2      TYR 124  -1.527 -12.182  -8.577
  954    HB3  TYR 124           HB3      TYR 124  -0.108 -12.024  -9.592
  955    HD1  TYR 124           HD2      TYR 124  -3.192 -14.122  -9.110
  956    HD2  TYR 124           HD1      TYR 124   0.024 -12.971 -11.755
  957    HE1  TYR 124           HE2      TYR 124  -4.308 -15.290 -10.970
  958    HE2  TYR 124           HE1      TYR 124  -1.075 -14.169 -13.619
  959    HH   TYR 124           HH       TYR 124  -4.268 -15.764 -13.226
  960    H    LYS 125           H        LYS 125  -0.575 -16.162  -8.281
  961    HA   LYS 125           HA       LYS 125   1.050 -16.752 -10.714
  962    HB2  LYS 125           HB2      LYS 125   0.744 -18.497  -8.230
  963    HB3  LYS 125           HB3      LYS 125   1.530 -18.987  -9.736
  964    HG2  LYS 125           HG2      LYS 125   3.225 -17.195  -9.427
  965    HG3  LYS 125           HG3      LYS 125   2.451 -16.742  -7.893
  966    HD2  LYS 125           HD2      LYS 125   2.845 -19.030  -7.016
  967    HD3  LYS 125           HD3      LYS 125   3.689 -19.466  -8.506
  968    HE2  LYS 125           HE2      LYS 125   4.512 -17.221  -6.601
  969    HE3  LYS 125           HE3      LYS 125   5.189 -18.850  -6.580
  970    HZ1  LYS 125           HZ1      LYS 125   5.414 -16.955  -8.846
  971    HZ2  LYS 125           HZ2      LYS 125   6.603 -17.357  -7.809
  972    HZ3  LYS 125           HZ3      LYS 125   6.014 -18.479  -8.830
  973    H    PHE 126           H        PHE 126  -1.938 -17.148  -8.896
  974    HA   PHE 126           HA       PHE 126  -3.424 -18.283 -11.035
  975    HB2  PHE 126           HB2      PHE 126  -4.183 -20.205  -9.460
  976    HB3  PHE 126           HB3      PHE 126  -2.723 -20.410 -10.382
  977    HD1  PHE 126           HD2      PHE 126  -3.983 -19.567  -6.958
  978    HD2  PHE 126           HD1      PHE 126  -0.615 -20.835  -9.325
  979    HE1  PHE 126           HE2      PHE 126  -2.714 -20.127  -4.885
  980    HE2  PHE 126           HE1      PHE 126   0.647 -21.365  -7.263
  981    HZ   PHE 126           HZ       PHE 126  -0.401 -20.993  -5.034
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  11.064  -6.746  -3.092
    2    H2   MET   1           H2       MET   1  10.666  -8.220  -2.511
    3    H3   MET   1           H3       MET   1   9.700  -7.495  -3.610
    4    HA   MET   1           HA       MET   1  10.216  -6.550  -0.873
    5    HB2  MET   1           HB2      MET   1   8.391  -5.383  -3.011
    6    HB3  MET   1           HB3      MET   1   8.250  -5.017  -1.290
    7    HG2  MET   1           HG2      MET   1  10.581  -4.188  -1.259
    8    HG3  MET   1           HG3      MET   1  10.705  -4.484  -2.998
    9    HE1  MET   1           HE1      MET   1  11.536  -2.001  -3.354
   10    HE2  MET   1           HE2      MET   1  10.664  -0.572  -2.757
   11    HE3  MET   1           HE3      MET   1  11.400  -1.708  -1.604
   12    H    ALA   2           H        ALA   2   7.116  -7.139  -2.628
   13    HA   ALA   2           HA       ALA   2   5.259  -8.197  -1.996
   14    HB1  ALA   2           HB1      ALA   2   5.425 -10.563  -1.509
   15    HB2  ALA   2           HB2      ALA   2   6.633 -10.130  -2.740
   16    HB3  ALA   2           HB3      ALA   2   7.126 -10.386  -1.043
   17    H    SER   3           H        SER   3   6.414  -6.400  -0.035
   18    HA   SER   3           HA       SER   3   6.345  -7.464   2.587
   19    HB2  SER   3           HB2      SER   3   6.279  -4.599   1.599
   20    HB3  SER   3           HB3      SER   3   6.917  -5.187   3.157
   21    HG   SER   3           HG       SER   3   8.599  -4.819   1.694
   22    H    VAL   4           H        VAL   4   3.866  -8.124   1.541
   23    HA   VAL   4           HA       VAL   4   1.917  -6.462   3.031
   24    HB   VAL   4           HB       VAL   4   0.335  -6.789   1.064
   25   HG11  VAL   4          HG11      VAL   4   2.743  -4.991   0.580
   26   HG12  VAL   4          HG12      VAL   4   1.124  -4.823  -0.129
   27   HG13  VAL   4          HG13      VAL   4   1.349  -4.613   1.614
   28   HG21  VAL   4          HG21      VAL   4   1.844  -8.493  -0.116
   29   HG22  VAL   4          HG22      VAL   4   1.162  -7.206  -1.128
   30   HG23  VAL   4          HG23      VAL   4   2.860  -7.132  -0.610
   31    H    GLU   5           H        GLU   5   3.306  -8.937   3.722
   32    HA   GLU   5           HA       GLU   5   1.481 -11.152   3.582
   33    HB2  GLU   5           HB2      GLU   5   2.741 -12.129   5.296
   34    HB3  GLU   5           HB3      GLU   5   3.874 -11.349   4.211
   35    HG2  GLU   5           HG2      GLU   5   3.000 -10.394   6.972
   36    HG3  GLU   5           HG3      GLU   5   4.535 -11.124   6.551
   37    H    ARG   6           H        ARG   6  -0.290 -11.649   5.036
   38    HA   ARG   6           HA       ARG   6  -1.502  -9.251   6.260
   39    HB2  ARG   6           HB2      ARG   6  -2.922 -10.881   5.107
   40    HB3  ARG   6           HB3      ARG   6  -2.353 -12.184   6.158
   41    HG2  ARG   6           HG2      ARG   6  -3.351 -11.057   8.125
   42    HG3  ARG   6           HG3      ARG   6  -3.891  -9.717   7.088
   43    HD2  ARG   6           HD2      ARG   6  -5.270 -11.349   5.780
   44    HD3  ARG   6           HD3      ARG   6  -4.744 -12.630   6.870
   45    HE   ARG   6           HE       ARG   6  -5.885 -11.616   8.698
   46   HH11  ARG   6          HH21      ARG   6  -6.773 -10.178   5.559
   47   HH12  ARG   6          HH22      ARG   6  -8.262  -9.498   6.156
   48   HH21  ARG   6          HH11      ARG   6  -7.825 -10.673   9.457
   49   HH22  ARG   6          HH12      ARG   6  -8.850  -9.774   8.378
   50    H    ASP   7           H        ASP   7  -0.468 -12.473   7.334
   51    HA   ASP   7           HA       ASP   7   1.243 -11.620   9.421
   52    HB2  ASP   7           HB2      ASP   7  -0.905 -11.416  10.712
   53    HB3  ASP   7           HB3      ASP   7  -1.349 -13.053  10.219
   54    H    GLU   8           H        GLU   8   2.543 -13.595   9.901
   55    HA   GLU   8           HA       GLU   8   2.702 -15.355   7.723
   56    HB2  GLU   8           HB2      GLU   8   3.731 -15.722  10.568
   57    HB3  GLU   8           HB3      GLU   8   4.197 -16.718   9.180
   58    HG2  GLU   8           HG2      GLU   8   5.056 -14.685   8.017
   59    HG3  GLU   8           HG3      GLU   8   4.672 -13.717   9.442
   60    H    THR   9           H        THR   9   0.722 -15.643  10.668
   61    HA   THR   9           HA       THR   9   0.016 -18.368  10.522
   62    HB   THR   9           HB       THR   9  -1.798 -16.056  11.253
   63    HG1  THR   9           HG1      THR   9  -0.064 -15.664  12.375
   64   HG21  THR   9          HG21      THR   9  -1.653 -18.935  12.243
   65   HG22  THR   9          HG22      THR   9  -2.722 -17.671  12.902
   66   HG23  THR   9          HG23      THR   9  -2.931 -18.220  11.234
   67    H    ARG  10           H        ARG  10  -1.294 -15.535   8.650
   68    HA   ARG  10           HA       ARG  10  -3.443 -17.104   7.509
   69    HB2  ARG  10           HB2      ARG  10  -3.591 -14.651   7.594
   70    HB3  ARG  10           HB3      ARG  10  -2.115 -14.495   6.638
   71    HG2  ARG  10           HG2      ARG  10  -4.077 -14.051   5.258
   72    HG3  ARG  10           HG3      ARG  10  -3.210 -15.459   4.671
   73    HD2  ARG  10           HD2      ARG  10  -4.862 -16.941   5.813
   74    HD3  ARG  10           HD3      ARG  10  -5.745 -15.507   6.372
   75    HE   ARG  10           HE       ARG  10  -5.644 -15.081   3.690
   76   HH11  ARG  10          HH21      ARG  10  -6.823 -17.796   5.671
   77   HH12  ARG  10          HH22      ARG  10  -7.922 -18.374   4.480
   78   HH21  ARG  10          HH11      ARG  10  -6.963 -15.935   2.054
   79   HH22  ARG  10          HH12      ARG  10  -8.001 -17.295   2.337
   80    H    GLU  11           H        GLU  11  -0.107 -16.251   6.526
   81    HA   GLU  11           HA       GLU  11  -0.378 -17.312   3.889
   82    HB2  GLU  11           HB2      GLU  11   2.237 -17.100   5.406
   83    HB3  GLU  11           HB3      GLU  11   1.964 -16.995   3.672
   84    HG2  GLU  11           HG2      GLU  11   1.355 -14.944   5.818
   85    HG3  GLU  11           HG3      GLU  11   2.456 -14.794   4.467
   86    H    HIS  12           H        HIS  12   0.963 -18.748   6.907
   87    HA   HIS  12           HA       HIS  12   1.441 -21.342   5.874
   88    HB2  HIS  12           HB2      HIS  12   0.566 -20.513   8.674
   89    HB3  HIS  12           HB3      HIS  12   1.135 -22.119   8.234
   90    HD1  HIS  12           HD1      HIS  12   3.814 -21.703   6.800
   91    HD2  HIS  12           HD2      HIS  12   2.414 -19.345   9.990
   92    HE1  HIS  12           HE1      HIS  12   5.874 -20.665   7.870
   93    H    ARG  13           H        ARG  13  -1.557 -20.037   7.457
   94    HA   ARG  13           HA       ARG  13  -2.902 -22.543   7.302
   95    HB2  ARG  13           HB2      ARG  13  -3.952 -19.714   7.668
   96    HB3  ARG  13           HB3      ARG  13  -4.997 -21.136   7.603
   97    HG2  ARG  13           HG2      ARG  13  -3.627 -22.165   9.486
   98    HG3  ARG  13           HG3      ARG  13  -2.785 -20.632   9.648
   99    HD2  ARG  13           HD2      ARG  13  -4.557 -20.678  11.276
  100    HD3  ARG  13           HD3      ARG  13  -5.014 -19.509  10.020
  101    HE   ARG  13           HE       ARG  13  -5.938 -22.271   9.606
  102   HH11  ARG  13          HH11      ARG  13  -6.857 -19.213  11.173
  103   HH12  ARG  13          HH12      ARG  13  -8.553 -19.484  11.007
  104   HH21  ARG  13          HH21      ARG  13  -8.122 -22.571   9.247
  105   HH22  ARG  13          HH22      ARG  13  -9.305 -21.493   9.936
  106    H    ILE  14           H        ILE  14  -2.968 -19.772   4.942
  107    HA   ILE  14           HA       ILE  14  -5.007 -21.028   3.411
  108    HB   ILE  14           HB       ILE  14  -4.302 -18.615   3.306
  109   HG12  ILE  14          HG12      ILE  14  -4.775 -20.232   0.786
  110   HG13  ILE  14          HG13      ILE  14  -5.963 -19.494   1.851
  111   HG21  ILE  14          HG21      ILE  14  -2.596 -17.859   1.789
  112   HG22  ILE  14          HG22      ILE  14  -1.866 -18.949   2.951
  113   HG23  ILE  14          HG23      ILE  14  -2.201 -19.517   1.299
  114   HD11  ILE  14          HD11      ILE  14  -5.861 -18.165  -0.101
  115   HD12  ILE  14          HD12      ILE  14  -5.035 -17.229   1.164
  116   HD13  ILE  14          HD13      ILE  14  -4.090 -18.091  -0.077
  117    H    GLU  15           H        GLU  15  -1.420 -21.299   3.300
  118    HA   GLU  15           HA       GLU  15  -1.279 -23.027   1.036
  119    HB2  GLU  15           HB2      GLU  15   0.639 -21.829   1.916
  120    HB3  GLU  15           HB3      GLU  15   0.523 -22.682   3.452
  121    HG2  GLU  15           HG2      GLU  15   2.315 -23.606   2.086
  122    HG3  GLU  15           HG3      GLU  15   1.059 -24.797   2.408
  123    H    THR  16           H        THR  16  -1.878 -23.726   4.504
  124    HA   THR  16           HA       THR  16  -1.727 -26.608   3.919
  125    HB   THR  16           HB       THR  16  -1.680 -26.818   6.405
  126    HG1  THR  16           HG1      THR  16  -1.291 -24.010   6.356
  127   HG21  THR  16          HG21      THR  16   0.623 -26.016   6.640
  128   HG22  THR  16          HG22      THR  16   0.386 -26.784   5.063
  129   HG23  THR  16          HG23      THR  16   0.458 -25.014   5.181
  130    H    GLU  17           H        GLU  17  -4.287 -24.394   4.011
  131    HA   GLU  17           HA       GLU  17  -6.194 -26.626   4.620
  132    HB2  GLU  17           HB2      GLU  17  -6.459 -23.692   5.384
  133    HB3  GLU  17           HB3      GLU  17  -7.660 -24.949   5.647
  134    HG2  GLU  17           HG2      GLU  17  -6.160 -26.152   7.167
  135    HG3  GLU  17           HG3      GLU  17  -4.882 -24.963   6.890
  136    H    ILE  18           H        ILE  18  -5.390 -24.043   2.344
  137    HA   ILE  18           HA       ILE  18  -8.103 -24.342   1.106
  138    HB   ILE  18           HB       ILE  18  -6.315 -21.988   1.627
  139   HG12  ILE  18          HG12      ILE  18  -9.330 -22.374   1.904
  140   HG13  ILE  18          HG13      ILE  18  -8.189 -22.778   3.182
  141   HG21  ILE  18          HG21      ILE  18  -6.760 -21.731  -0.748
  142   HG22  ILE  18          HG22      ILE  18  -8.489 -22.048  -0.494
  143   HG23  ILE  18          HG23      ILE  18  -7.718 -20.575   0.145
  144   HD11  ILE  18          HD11      ILE  18  -8.622 -19.981   2.076
  145   HD12  ILE  18          HD12      ILE  18  -9.195 -20.626   3.619
  146   HD13  ILE  18          HD13      ILE  18  -7.454 -20.449   3.341
  147    H    ILE  19           H        ILE  19  -4.599 -24.140   0.344
  148    HA   ILE  19           HA       ILE  19  -5.336 -25.447  -2.244
  149    HB   ILE  19           HB       ILE  19  -3.304 -24.452  -3.226
  150   HG12  ILE  19          HG12      ILE  19  -2.322 -23.718  -0.935
  151   HG13  ILE  19          HG13      ILE  19  -2.031 -22.796  -2.402
  152   HG21  ILE  19          HG21      ILE  19  -5.504 -23.690  -3.832
  153   HG22  ILE  19          HG22      ILE  19  -5.538 -22.543  -2.490
  154   HG23  ILE  19          HG23      ILE  19  -4.378 -22.326  -3.813
  155   HD11  ILE  19          HD11      ILE  19  -4.195 -22.013  -0.442
  156   HD12  ILE  19          HD12      ILE  19  -2.529 -21.392  -0.393
  157   HD13  ILE  19          HD13      ILE  19  -3.559 -21.066  -1.794
  158    H    VAL  20           H        VAL  20  -4.396 -26.401   0.596
  159    HA   VAL  20           HA       VAL  20  -1.936 -27.693   0.281
  160    HB   VAL  20           HB       VAL  20  -3.319 -27.317   2.316
  161   HG11  VAL  20          HG11      VAL  20  -5.496 -28.205   1.615
  162   HG12  VAL  20          HG12      VAL  20  -4.819 -29.853   1.633
  163   HG13  VAL  20          HG13      VAL  20  -4.925 -28.915   3.127
  164   HG21  VAL  20          HG21      VAL  20  -2.491 -29.261   3.547
  165   HG22  VAL  20          HG22      VAL  20  -2.260 -30.149   2.026
  166   HG23  VAL  20          HG23      VAL  20  -1.286 -28.702   2.374
  167    H    ASP  21           H        ASP  21  -5.140 -28.647  -0.766
  168    HA   ASP  21           HA       ASP  21  -4.506 -31.363  -1.478
  169    HB2  ASP  21           HB2      ASP  21  -6.742 -30.513  -0.766
  170    HB3  ASP  21           HB3      ASP  21  -6.860 -29.605  -2.273
  171    H    ALA  22           H        ALA  22  -3.397 -28.619  -2.995
  172    HA   ALA  22           HA       ALA  22  -3.546 -29.749  -5.747
  173    HB1  ALA  22           HB1      ALA  22  -3.915 -27.323  -6.430
  174    HB2  ALA  22           HB2      ALA  22  -5.292 -28.095  -5.614
  175    HB3  ALA  22           HB3      ALA  22  -4.251 -26.968  -4.725
  176    H    GLU  23           H        GLU  23  -1.793 -29.204  -7.066
  177    HA   GLU  23           HA       GLU  23   0.559 -27.919  -5.768
  178    HB2  GLU  23           HB2      GLU  23   1.936 -29.813  -6.390
  179    HB3  GLU  23           HB3      GLU  23   0.611 -30.332  -5.355
  180    HG2  GLU  23           HG2      GLU  23  -0.630 -31.169  -7.345
  181    HG3  GLU  23           HG3      GLU  23   0.684 -30.639  -8.393
  182    H    ASP  24           H        ASP  24  -1.465 -27.637  -8.325
  183    HA   ASP  24           HA       ASP  24   0.643 -26.523 -10.102
  184    HB2  ASP  24           HB2      ASP  24  -0.042 -28.700 -11.043
  185    HB3  ASP  24           HB3      ASP  24  -1.744 -28.245 -10.901
  186    H    LYS  25           H        LYS  25  -0.093 -24.651 -11.229
  187    HA   LYS  25           HA       LYS  25  -1.691 -22.953  -9.746
  188    HB2  LYS  25           HB2      LYS  25  -1.557 -21.403 -11.621
  189    HB3  LYS  25           HB3      LYS  25  -0.009 -22.221 -11.394
  190    HG2  LYS  25           HG2      LYS  25  -0.659 -23.817 -13.257
  191    HG3  LYS  25           HG3      LYS  25  -2.116 -22.840 -13.516
  192    HD2  LYS  25           HD2      LYS  25  -0.733 -20.881 -14.060
  193    HD3  LYS  25           HD3      LYS  25   0.744 -21.846 -13.790
  194    HE2  LYS  25           HE2      LYS  25  -0.027 -23.469 -15.520
  195    HE3  LYS  25           HE3      LYS  25  -1.466 -22.490 -15.800
  196    HZ1  LYS  25           HZ1      LYS  25   1.323 -21.599 -16.293
  197    HZ2  LYS  25           HZ2      LYS  25   0.250 -22.026 -17.439
  198    HZ3  LYS  25           HZ3      LYS  25  -0.009 -20.686 -16.551
  199    H    GLU  26           H        GLU  26  -2.836 -25.130 -12.384
  200    HA   GLU  26           HA       GLU  26  -5.376 -23.752 -12.646
  201    HB2  GLU  26           HB2      GLU  26  -4.403 -26.541 -13.418
  202    HB3  GLU  26           HB3      GLU  26  -6.015 -25.944 -13.776
  203    HG2  GLU  26           HG2      GLU  26  -5.019 -24.017 -15.033
  204    HG3  GLU  26           HG3      GLU  26  -3.410 -24.673 -14.739
  205    H    GLU  27           H        GLU  27  -4.174 -26.534 -10.759
  206    HA   GLU  27           HA       GLU  27  -6.735 -27.240  -9.624
  207    HB2  GLU  27           HB2      GLU  27  -3.895 -27.833  -8.682
  208    HB3  GLU  27           HB3      GLU  27  -5.358 -28.626  -8.098
  209    HG2  GLU  27           HG2      GLU  27  -4.285 -28.725 -10.954
  210    HG3  GLU  27           HG3      GLU  27  -4.102 -29.985  -9.742
  211    H    ARG  28           H        ARG  28  -3.999 -25.145  -8.624
  212    HA   ARG  28           HA       ARG  28  -5.170 -24.544  -6.049
  213    HB2  ARG  28           HB2      ARG  28  -2.937 -23.191  -7.637
  214    HB3  ARG  28           HB3      ARG  28  -3.447 -22.721  -6.004
  215    HG2  ARG  28           HG2      ARG  28  -3.116 -25.132  -5.310
  216    HG3  ARG  28           HG3      ARG  28  -2.297 -25.421  -6.839
  217    HD2  ARG  28           HD2      ARG  28  -0.477 -23.994  -6.238
  218    HD3  ARG  28           HD3      ARG  28  -1.422 -23.246  -4.930
  219    HE   ARG  28           HE       ARG  28  -1.059 -26.136  -4.650
  220   HH11  ARG  28          HH11      ARG  28   0.400 -23.018  -3.764
  221   HH12  ARG  28          HH12      ARG  28   0.785 -23.549  -2.142
  222   HH21  ARG  28          HH21      ARG  28  -0.513 -26.798  -2.632
  223   HH22  ARG  28          HH22      ARG  28   0.460 -25.785  -1.565
  224    H    ALA  29           H        ALA  29  -5.602 -23.127  -9.266
  225    HA   ALA  29           HA       ALA  29  -6.994 -20.773  -8.354
  226    HB1  ALA  29           HB1      ALA  29  -7.925 -20.676 -10.604
  227    HB2  ALA  29           HB2      ALA  29  -6.200 -21.063 -10.709
  228    HB3  ALA  29           HB3      ALA  29  -7.425 -22.334 -10.942
  229    H    MET  30           H        MET  30  -7.994 -24.198  -9.008
  230    HA   MET  30           HA       MET  30 -10.757 -23.699  -8.389
  231    HB2  MET  30           HB2      MET  30  -9.213 -26.303  -8.263
  232    HB3  MET  30           HB3      MET  30 -10.961 -26.124  -8.162
  233    HG2  MET  30           HG2      MET  30  -9.259 -25.343 -10.555
  234    HG3  MET  30           HG3      MET  30 -10.209 -26.806 -10.386
  235    HE1  MET  30           HE1      MET  30 -11.133 -22.673 -10.113
  236    HE2  MET  30           HE2      MET  30  -9.987 -23.221 -11.354
  237    HE3  MET  30           HE3      MET  30 -11.631 -22.721 -11.802
  238    H    GLY  31           H        GLY  31  -7.982 -24.653  -6.304
  239    HA2  GLY  31           HA2      GLY  31  -9.394 -25.046  -3.903
  240    HA3  GLY  31           HA3      GLY  31  -7.758 -24.376  -4.020
  241    H    TRP  32           H        TRP  32  -7.965 -21.949  -5.109
  242    HA   TRP  32           HA       TRP  32  -9.122 -20.183  -3.266
  243    HB2  TRP  32           HB2      TRP  32  -8.174 -19.938  -6.120
  244    HB3  TRP  32           HB3      TRP  32  -9.072 -18.620  -5.395
  245    HD1  TRP  32           HD1      TRP  32  -5.662 -20.247  -5.274
  246    HE1  TRP  32           HE1      TRP  32  -4.074 -18.785  -3.895
  247    HE3  TRP  32           HE3      TRP  32  -9.081 -16.989  -3.292
  248    HZ2  TRP  32           HZ2      TRP  32  -4.268 -16.513  -2.120
  249    HZ3  TRP  32           HZ3      TRP  32  -8.347 -15.207  -1.731
  250    HH2  TRP  32           HH2      TRP  32  -5.944 -14.940  -1.171
  251    H    TYR  33           H        TYR  33 -10.468 -21.217  -6.475
  252    HA   TYR  33           HA       TYR  33 -12.777 -19.670  -6.383
  253    HB2  TYR  33           HB2      TYR  33 -12.099 -20.840  -8.398
  254    HB3  TYR  33           HB3      TYR  33 -12.307 -22.404  -7.619
  255    HD1  TYR  33           HD2      TYR  33 -14.550 -23.321  -7.110
  256    HD2  TYR  33           HD1      TYR  33 -14.050 -19.617  -9.258
  257    HE1  TYR  33           HE2      TYR  33 -16.954 -23.327  -7.650
  258    HE2  TYR  33           HE1      TYR  33 -16.418 -19.710  -9.961
  259    HH   TYR  33           HH       TYR  33 -18.671 -22.280  -8.847
  260    H    TYR  34           H        TYR  34 -12.365 -23.042  -5.072
  261    HA   TYR  34           HA       TYR  34 -15.133 -23.323  -4.512
  262    HB2  TYR  34           HB2      TYR  34 -12.707 -24.742  -3.339
  263    HB3  TYR  34           HB3      TYR  34 -14.367 -25.197  -2.994
  264    HD1  TYR  34           HD2      TYR  34 -15.794 -25.189  -5.521
  265    HD2  TYR  34           HD1      TYR  34 -11.754 -26.441  -4.651
  266    HE1  TYR  34           HE2      TYR  34 -15.850 -26.697  -7.469
  267    HE2  TYR  34           HE1      TYR  34 -11.818 -27.989  -6.580
  268    HH   TYR  34           HH       TYR  34 -14.686 -28.276  -8.732
  269    H    TYR  35           H        TYR  35 -12.383 -22.411  -2.282
  270    HA   TYR  35           HA       TYR  35 -14.266 -22.192  -0.106
  271    HB2  TYR  35           HB2      TYR  35 -12.542 -21.886   1.241
  272    HB3  TYR  35           HB3      TYR  35 -11.581 -22.430  -0.116
  273    HD1  TYR  35           HD1      TYR  35 -10.257 -20.785  -1.429
  274    HD2  TYR  35           HD2      TYR  35 -12.574 -19.556   1.989
  275    HE1  TYR  35           HE1      TYR  35  -9.004 -18.660  -1.362
  276    HE2  TYR  35           HE2      TYR  35 -11.372 -17.404   2.048
  277    HH   TYR  35           HH       TYR  35  -9.770 -16.066   1.045
  278    H    LEU  36           H        LEU  36 -12.979 -19.851  -2.496
  279    HA   LEU  36           HA       LEU  36 -13.967 -17.509  -1.250
  280    HB2  LEU  36           HB2      LEU  36 -12.326 -17.467  -3.048
  281    HB3  LEU  36           HB3      LEU  36 -13.480 -18.201  -4.169
  282    HG   LEU  36           HG       LEU  36 -14.897 -16.194  -4.093
  283   HD11  LEU  36          HD11      LEU  36 -14.446 -15.323  -1.839
  284   HD12  LEU  36          HD12      LEU  36 -12.738 -15.047  -2.258
  285   HD13  LEU  36          HD13      LEU  36 -14.020 -14.101  -3.041
  286   HD21  LEU  36          HD21      LEU  36 -13.427 -14.792  -5.385
  287   HD22  LEU  36          HD22      LEU  36 -11.977 -15.522  -4.652
  288   HD23  LEU  36          HD23      LEU  36 -13.028 -16.471  -5.725
  289    H    ASP  37           H        ASP  37 -15.477 -19.591  -3.825
  290    HA   ASP  37           HA       ASP  37 -17.904 -18.132  -4.028
  291    HB2  ASP  37           HB2      ASP  37 -17.195 -19.850  -5.656
  292    HB3  ASP  37           HB3      ASP  37 -17.363 -21.104  -4.428
  293    H    ASP  38           H        ASP  38 -16.992 -20.868  -1.890
  294    HA   ASP  38           HA       ASP  38 -19.494 -21.076  -0.540
  295    HB2  ASP  38           HB2      ASP  38 -17.760 -22.806  -0.470
  296    HB3  ASP  38           HB3      ASP  38 -16.687 -21.726   0.421
  297    H    THR  39           H        THR  39 -16.943 -18.665  -0.184
  298    HA   THR  39           HA       THR  39 -17.862 -17.889   2.516
  299    HB   THR  39           HB       THR  39 -15.536 -16.925   0.803
  300    HG1  THR  39           HG1      THR  39 -15.191 -18.965   1.440
  301   HG21  THR  39          HG21      THR  39 -14.697 -16.049   3.055
  302   HG22  THR  39          HG22      THR  39 -16.028 -15.144   2.321
  303   HG23  THR  39          HG23      THR  39 -16.359 -16.256   3.656
  304    H    LEU  40           H        LEU  40 -17.844 -16.616  -0.844
  305    HA   LEU  40           HA       LEU  40 -18.540 -13.946  -0.261
  306    HB2  LEU  40           HB2      LEU  40 -19.231 -15.695  -2.638
  307    HB3  LEU  40           HB3      LEU  40 -19.617 -13.977  -2.563
  308    HG   LEU  40           HG       LEU  40 -16.823 -15.148  -2.509
  309   HD11  LEU  40          HD11      LEU  40 -17.980 -15.423  -4.669
  310   HD12  LEU  40          HD12      LEU  40 -18.308 -13.680  -4.721
  311   HD13  LEU  40          HD13      LEU  40 -16.637 -14.279  -4.792
  312   HD21  LEU  40          HD21      LEU  40 -16.100 -12.796  -3.008
  313   HD22  LEU  40          HD22      LEU  40 -17.719 -12.276  -2.501
  314   HD23  LEU  40          HD23      LEU  40 -16.618 -13.124  -1.361
  315    H    GLU  41           H        GLU  41 -20.324 -13.218   0.851
  316    HA   GLU  41           HA       GLU  41 -22.805 -14.748   0.993
  317    HB2  GLU  41           HB2      GLU  41 -21.924 -12.046   2.085
  318    HB3  GLU  41           HB3      GLU  41 -23.534 -12.719   2.361
  319    HG2  GLU  41           HG2      GLU  41 -21.037 -14.288   3.052
  320    HG3  GLU  41           HG3      GLU  41 -21.740 -13.116   4.169
  321    H    PHE  42           H        PHE  42 -22.394 -14.496  -1.532
  322    HA   PHE  42           HA       PHE  42 -23.260 -12.098  -2.810
  323    HB2  PHE  42           HB2      PHE  42 -23.237 -13.367  -4.866
  324    HB3  PHE  42           HB3      PHE  42 -21.830 -13.750  -3.912
  325    HD1  PHE  42           HD2      PHE  42 -25.213 -15.017  -4.932
  326    HD2  PHE  42           HD1      PHE  42 -21.316 -16.049  -3.383
  327    HE1  PHE  42           HE2      PHE  42 -25.738 -17.422  -5.191
  328    HE2  PHE  42           HE1      PHE  42 -21.849 -18.443  -3.645
  329    HZ   PHE  42           HZ       PHE  42 -24.061 -19.145  -4.544
  330    HA   PRO  43           HA       PRO  43 -24.468 -11.561  -4.885
  331    HB2  PRO  43           HB2      PRO  43 -26.452  -9.778  -5.397
  332    HB3  PRO  43           HB3      PRO  43 -26.451 -11.435  -6.076
  333    HG2  PRO  43           HG2      PRO  43 -27.923 -10.446  -3.616
  334    HG3  PRO  43           HG3      PRO  43 -28.570 -11.410  -4.983
  335    HD2  PRO  43           HD2      PRO  43 -27.735 -12.564  -2.646
  336    HD3  PRO  43           HD3      PRO  43 -27.505 -13.372  -4.224
  337    H    PHE  44           H        PHE  44 -23.684  -9.365  -4.796
  338    HA   PHE  44           HA       PHE  44 -24.178  -7.750  -2.392
  339    HB2  PHE  44           HB2      PHE  44 -21.910  -7.663  -1.683
  340    HB3  PHE  44           HB3      PHE  44 -22.448  -9.325  -1.651
  341    HD1  PHE  44           HD1      PHE  44 -21.625 -10.939  -3.484
  342    HD2  PHE  44           HD2      PHE  44 -19.920  -7.039  -2.832
  343    HE1  PHE  44           HE1      PHE  44 -19.543 -11.664  -4.610
  344    HE2  PHE  44           HE2      PHE  44 -17.871  -7.740  -4.032
  345    HZ   PHE  44           HZ       PHE  44 -17.665 -10.061  -4.902
  346    H    MET  45           H        MET  45 -22.160  -5.833  -2.774
  347    HA   MET  45           HA       MET  45 -22.324  -5.131  -5.642
  348    HB2  MET  45           HB2      MET  45 -23.150  -2.998  -5.321
  349    HB3  MET  45           HB3      MET  45 -24.211  -4.015  -4.370
  350    HG2  MET  45           HG2      MET  45 -23.511  -3.125  -2.360
  351    HG3  MET  45           HG3      MET  45 -21.887  -2.770  -2.921
  352    HE1  MET  45           HE1      MET  45 -21.089  -0.788  -4.293
  353    HE2  MET  45           HE2      MET  45 -22.263  -0.955  -5.607
  354    HE3  MET  45           HE3      MET  45 -22.095   0.593  -4.754
  355    H    GLY  46           H        GLY  46 -20.919  -3.319  -6.231
  356    HA2  GLY  46           HA2      GLY  46 -18.599  -2.791  -4.479
  357    HA3  GLY  46           HA3      GLY  46 -18.305  -3.917  -5.816
  358    H    LYS  47           H        LYS  47 -16.761  -1.949  -5.934
  359    HA   LYS  47           HA       LYS  47 -17.876  -0.232  -8.114
  360    HB2  LYS  47           HB2      LYS  47 -16.963   0.963  -5.983
  361    HB3  LYS  47           HB3      LYS  47 -15.380   0.365  -6.466
  362    HG2  LYS  47           HG2      LYS  47 -15.441   2.521  -7.402
  363    HG3  LYS  47           HG3      LYS  47 -15.880   1.490  -8.766
  364    HD2  LYS  47           HD2      LYS  47 -17.414   3.267  -8.863
  365    HD3  LYS  47           HD3      LYS  47 -18.326   1.940  -8.129
  366    HE2  LYS  47           HE2      LYS  47 -18.056   2.904  -5.907
  367    HE3  LYS  47           HE3      LYS  47 -16.974   4.155  -6.538
  368    HZ1  LYS  47           HZ1      LYS  47 -19.811   3.888  -7.387
  369    HZ2  LYS  47           HZ2      LYS  47 -19.297   4.905  -6.206
  370    HZ3  LYS  47           HZ3      LYS  47 -18.793   5.112  -7.739
  371    H    TRP  48           H        TRP  48 -17.128  -0.877 -10.063
  372    HA   TRP  48           HA       TRP  48 -14.833  -2.719 -10.268
  373    HB2  TRP  48           HB2      TRP  48 -16.856  -2.861 -11.780
  374    HB3  TRP  48           HB3      TRP  48 -16.364  -1.341 -12.509
  375    HD1  TRP  48           HD1      TRP  48 -13.125  -2.606 -12.241
  376    HE1  TRP  48           HE1      TRP  48 -12.329  -4.073 -14.104
  377    HE3  TRP  48           HE3      TRP  48 -17.674  -3.746 -14.326
  378    HZ2  TRP  48           HZ2      TRP  48 -13.492  -5.742 -16.166
  379    HZ3  TRP  48           HZ3      TRP  48 -17.764  -5.339 -16.236
  380    HH2  TRP  48           HH2      TRP  48 -15.695  -6.346 -17.143
  381    H    LYS  49           H        LYS  49 -13.023  -1.714  -9.631
  382    HA   LYS  49           HA       LYS  49 -12.360   1.053 -10.237
  383    HB2  LYS  49           HB2      LYS  49 -10.757  -1.307  -9.087
  384    HB3  LYS  49           HB3      LYS  49 -10.202   0.359  -9.111
  385    HG2  LYS  49           HG2      LYS  49 -12.581  -0.684  -7.515
  386    HG3  LYS  49           HG3      LYS  49 -10.960  -0.333  -6.909
  387    HD2  LYS  49           HD2      LYS  49 -11.280   2.060  -7.768
  388    HD3  LYS  49           HD3      LYS  49 -12.999   1.638  -8.003
  389    HE2  LYS  49           HE2      LYS  49 -13.306   1.222  -5.662
  390    HE3  LYS  49           HE3      LYS  49 -11.561   1.109  -5.381
  391    HZ1  LYS  49           HZ1      LYS  49 -12.559   3.197  -4.574
  392    HZ2  LYS  49           HZ2      LYS  49 -11.338   3.435  -5.621
  393    HZ3  LYS  49           HZ3      LYS  49 -12.877   3.665  -6.115
  394    H    LYS  50           H        LYS  50 -12.883   0.243 -12.651
  395    HA   LYS  50           HA       LYS  50 -11.228  -1.681 -13.908
  396    HB2  LYS  50           HB2      LYS  50 -13.402  -0.980 -14.793
  397    HB3  LYS  50           HB3      LYS  50 -12.761   0.621 -15.183
  398    HG2  LYS  50           HG2      LYS  50 -11.224  -0.283 -16.812
  399    HG3  LYS  50           HG3      LYS  50 -11.536  -1.943 -16.297
  400    HD2  LYS  50           HD2      LYS  50 -13.612  -0.120 -17.596
  401    HD3  LYS  50           HD3      LYS  50 -12.608  -1.298 -18.462
  402    HE2  LYS  50           HE2      LYS  50 -13.527  -3.115 -16.987
  403    HE3  LYS  50           HE3      LYS  50 -14.627  -1.938 -16.263
  404    HZ1  LYS  50           HZ1      LYS  50 -15.702  -3.174 -18.024
  405    HZ2  LYS  50           HZ2      LYS  50 -15.595  -1.609 -18.483
  406    HZ3  LYS  50           HZ3      LYS  50 -14.587  -2.725 -19.123
  407    H    LYS  51           H        LYS  51  -9.095  -1.635 -14.203
  408    HA   LYS  51           HA       LYS  51  -7.554   0.828 -14.343
  409    HB2  LYS  51           HB2      LYS  51  -6.882  -2.060 -15.068
  410    HB3  LYS  51           HB3      LYS  51  -5.709  -0.734 -15.064
  411    HG2  LYS  51           HG2      LYS  51  -6.067  -0.353 -12.664
  412    HG3  LYS  51           HG3      LYS  51  -7.346  -1.564 -12.631
  413    HD2  LYS  51           HD2      LYS  51  -5.506  -3.238 -13.473
  414    HD3  LYS  51           HD3      LYS  51  -4.368  -1.973 -12.987
  415    HE2  LYS  51           HE2      LYS  51  -4.538  -3.355 -11.073
  416    HE3  LYS  51           HE3      LYS  51  -5.572  -1.969 -10.707
  417    HZ1  LYS  51           HZ1      LYS  51  -7.476  -3.413 -11.531
  418    HZ2  LYS  51           HZ2      LYS  51  -6.430  -4.665 -11.567
  419    HZ3  LYS  51           HZ3      LYS  51  -6.751  -3.942 -10.145
  420    H    SER  52           H        SER  52  -7.437   2.127 -16.155
  421    HA   SER  52           HA       SER  52  -8.884   1.569 -18.504
  422    HB2  SER  52           HB2      SER  52  -6.647   3.575 -18.002
  423    HB3  SER  52           HB3      SER  52  -7.733   3.588 -19.405
  424    HG   SER  52           HG       SER  52  -8.348   3.945 -16.667
  425    H    ARG  53           H        ARG  53  -8.400   0.801 -20.418
  426    HA   ARG  53           HA       ARG  53  -7.385  -0.925 -21.677
  427    HB2  ARG  53           HB2      ARG  53  -6.220   1.785 -22.448
  428    HB3  ARG  53           HB3      ARG  53  -6.174   0.338 -23.449
  429    HG2  ARG  53           HG2      ARG  53  -7.899   1.595 -24.311
  430    HG3  ARG  53           HG3      ARG  53  -8.708   0.306 -23.440
  431    HD2  ARG  53           HD2      ARG  53  -8.236   2.935 -22.018
  432    HD3  ARG  53           HD3      ARG  53  -9.420   2.909 -23.330
  433    HE   ARG  53           HE       ARG  53 -10.256   0.793 -21.901
  434   HH11  ARG  53          HH11      ARG  53  -9.728   4.225 -21.116
  435   HH12  ARG  53          HH12      ARG  53 -10.859   4.235 -19.794
  436   HH21  ARG  53          HH21      ARG  53 -11.755   0.839 -20.122
  437   HH22  ARG  53          HH22      ARG  53 -11.971   2.311 -19.211
  438    H    LYS  54           H        LYS  54  -4.500   1.070 -21.772
  439    HA   LYS  54           HA       LYS  54  -2.970  -0.883 -20.135
  440    HB2  LYS  54           HB2      LYS  54  -2.083   0.285 -22.812
  441    HB3  LYS  54           HB3      LYS  54  -1.061  -0.654 -21.717
  442    HG2  LYS  54           HG2      LYS  54  -2.630  -2.590 -21.932
  443    HG3  LYS  54           HG3      LYS  54  -3.548  -1.690 -23.146
  444    HD2  LYS  54           HD2      LYS  54  -0.609  -2.471 -23.373
  445    HD3  LYS  54           HD3      LYS  54  -1.965  -3.318 -24.132
  446    HE2  LYS  54           HE2      LYS  54  -2.546  -1.250 -25.400
  447    HE3  LYS  54           HE3      LYS  54  -1.159  -0.424 -24.677
  448    HZ1  LYS  54           HZ1      LYS  54  -0.995  -2.807 -26.429
  449    HZ2  LYS  54           HZ2      LYS  54  -0.631  -1.281 -26.864
  450    HZ3  LYS  54           HZ3      LYS  54   0.287  -2.045 -25.758
  451    H    THR  55           H        THR  55  -4.091   2.230 -20.387
  452    HA   THR  55           HA       THR  55  -1.747   3.745 -19.617
  453    HB   THR  55           HB       THR  55  -3.750   5.382 -19.096
  454    HG1  THR  55           HG1      THR  55  -5.635   4.796 -20.196
  455   HG21  THR  55          HG21      THR  55  -3.972   5.933 -21.489
  456   HG22  THR  55          HG22      THR  55  -2.288   5.558 -21.095
  457   HG23  THR  55          HG23      THR  55  -3.288   4.355 -21.939
  458    H    SER  56           H        SER  56  -4.170   1.751 -18.054
  459    HA   SER  56           HA       SER  56  -4.468   1.009 -16.019
  460    HB2  SER  56           HB2      SER  56  -1.714   2.073 -15.331
  461    HB3  SER  56           HB3      SER  56  -2.610   0.795 -14.497
  462    HG   SER  56           HG       SER  56  -1.071  -0.028 -15.995
  463    H    THR  57           H        THR  57  -4.515   4.324 -16.480
  464    HA   THR  57           HA       THR  57  -4.985   5.353 -13.905
  465    HB   THR  57           HB       THR  57  -6.541   5.979 -16.441
  466    HG1  THR  57           HG1      THR  57  -4.857   7.344 -16.991
  467   HG21  THR  57          HG21      THR  57  -5.701   7.727 -14.078
  468   HG22  THR  57          HG22      THR  57  -6.579   8.286 -15.522
  469   HG23  THR  57          HG23      THR  57  -7.345   7.142 -14.412
  470    H    ILE  58           H        ILE  58  -6.718   4.990 -12.437
  471    HA   ILE  58           HA       ILE  58  -8.535   2.831 -13.222
  472    HB   ILE  58           HB       ILE  58  -7.795   4.130 -10.612
  473   HG12  ILE  58          HG12      ILE  58  -7.843   1.308 -11.804
  474   HG13  ILE  58          HG13      ILE  58  -6.426   2.343 -11.644
  475   HG21  ILE  58          HG21      ILE  58 -10.154   2.234 -10.963
  476   HG22  ILE  58          HG22      ILE  58  -9.467   2.765  -9.411
  477   HG23  ILE  58          HG23      ILE  58 -10.261   3.930 -10.457
  478   HD11  ILE  58          HD11      ILE  58  -6.342   0.656  -9.982
  479   HD12  ILE  58          HD12      ILE  58  -6.662   2.203  -9.157
  480   HD13  ILE  58          HD13      ILE  58  -7.975   1.017  -9.410
  481    H    GLU  59           H        GLU  59 -10.568   2.887 -13.488
  482    HA   GLU  59           HA       GLU  59 -12.099   5.453 -13.542
  483    HB2  GLU  59           HB2      GLU  59 -12.332   2.960 -15.291
  484    HB3  GLU  59           HB3      GLU  59 -13.535   4.258 -15.247
  485    HG2  GLU  59           HG2      GLU  59 -11.915   5.877 -16.075
  486    HG3  GLU  59           HG3      GLU  59 -10.623   4.679 -16.030
  487    H    GLU  60           H        GLU  60 -14.310   5.105 -12.696
  488    HA   GLU  60           HA       GLU  60 -14.457   2.751 -10.855
  489    HB2  GLU  60           HB2      GLU  60 -14.959   5.687 -10.212
  490    HB3  GLU  60           HB3      GLU  60 -15.236   4.319  -9.130
  491    HG2  GLU  60           HG2      GLU  60 -12.775   3.769  -9.296
  492    HG3  GLU  60           HG3      GLU  60 -12.542   5.246 -10.237
  493    H    LYS  61           H        LYS  61 -16.214   1.619 -11.470
  494    HA   LYS  61           HA       LYS  61 -18.716   3.171 -12.085
  495    HB2  LYS  61           HB2      LYS  61 -17.610   2.135 -14.086
  496    HB3  LYS  61           HB3      LYS  61 -17.828   0.540 -13.338
  497    HG2  LYS  61           HG2      LYS  61 -20.274   0.827 -13.366
  498    HG3  LYS  61           HG3      LYS  61 -20.098   2.500 -13.910
  499    HD2  LYS  61           HD2      LYS  61 -20.735   1.160 -15.781
  500    HD3  LYS  61           HD3      LYS  61 -19.070   1.700 -16.032
  501    HE2  LYS  61           HE2      LYS  61 -18.214  -0.505 -15.374
  502    HE3  LYS  61           HE3      LYS  61 -19.849  -1.027 -14.920
  503    HZ1  LYS  61           HZ1      LYS  61 -19.233  -1.832 -17.123
  504    HZ2  LYS  61           HZ2      LYS  61 -20.532  -0.835 -17.194
  505    HZ3  LYS  61           HZ3      LYS  61 -19.051  -0.302 -17.679
  506    H    THR  62           H        THR  62 -20.397   2.707 -10.724
  507    HA   THR  62           HA       THR  62 -20.064   0.752  -8.657
  508    HB   THR  62           HB       THR  62 -22.637   2.165  -9.466
  509    HG1  THR  62           HG1      THR  62 -21.877   3.981  -8.622
  510   HG21  THR  62          HG21      THR  62 -22.741   0.544  -7.566
  511   HG22  THR  62          HG22      THR  62 -21.434   1.437  -6.757
  512   HG23  THR  62          HG23      THR  62 -23.015   2.209  -7.027
  513    H    VAL  63           H        VAL  63 -20.759  -1.303  -8.553
  514    HA   VAL  63           HA       VAL  63 -22.538  -2.377 -10.711
  515    HB   VAL  63           HB       VAL  63 -21.040  -4.254 -10.944
  516   HG11  VAL  63          HG11      VAL  63 -21.030  -2.394 -12.587
  517   HG12  VAL  63          HG12      VAL  63 -19.656  -1.669 -11.733
  518   HG13  VAL  63          HG13      VAL  63 -19.488  -3.259 -12.499
  519   HG21  VAL  63          HG21      VAL  63 -18.922  -2.620  -9.490
  520   HG22  VAL  63          HG22      VAL  63 -19.696  -4.094  -8.865
  521   HG23  VAL  63          HG23      VAL  63 -18.679  -4.178 -10.307
  522    H    GLU  64           H        GLU  64 -23.492  -4.432 -10.261
  523    HA   GLU  64           HA       GLU  64 -23.644  -5.160  -7.364
  524    HB2  GLU  64           HB2      GLU  64 -25.774  -4.352  -8.299
  525    HB3  GLU  64           HB3      GLU  64 -25.675  -5.540  -9.602
  526    HG2  GLU  64           HG2      GLU  64 -25.816  -7.379  -7.953
  527    HG3  GLU  64           HG3      GLU  64 -25.796  -6.208  -6.631
  528    H    VAL  65           H        VAL  65 -23.020  -7.261  -6.910
  529    HA   VAL  65           HA       VAL  65 -21.811  -8.786  -9.178
  530    HB   VAL  65           HB       VAL  65 -20.917  -8.706  -6.269
  531   HG11  VAL  65          HG11      VAL  65 -18.836  -9.687  -7.245
  532   HG12  VAL  65          HG12      VAL  65 -20.239 -10.725  -7.532
  533   HG13  VAL  65          HG13      VAL  65 -19.612  -9.697  -8.843
  534   HG21  VAL  65          HG21      VAL  65 -20.559  -6.453  -7.186
  535   HG22  VAL  65          HG22      VAL  65 -19.019  -7.299  -7.072
  536   HG23  VAL  65          HG23      VAL  65 -19.819  -7.138  -8.651
  537    H    LEU  66           H        LEU  66 -22.846 -10.638  -9.618
  538    HA   LEU  66           HA       LEU  66 -25.045 -11.419  -7.855
  539    HB2  LEU  66           HB2      LEU  66 -24.155 -12.565 -10.536
  540    HB3  LEU  66           HB3      LEU  66 -25.587 -13.033  -9.653
  541    HG   LEU  66           HG       LEU  66 -26.365 -11.671 -11.338
  542   HD11  LEU  66          HD11      LEU  66 -27.417  -9.775 -10.263
  543   HD12  LEU  66          HD12      LEU  66 -27.353 -11.128  -9.120
  544   HD13  LEU  66          HD13      LEU  66 -26.212  -9.770  -8.963
  545   HD21  LEU  66          HD21      LEU  66 -25.571  -9.535 -12.013
  546   HD22  LEU  66          HD22      LEU  66 -24.412  -9.439 -10.680
  547   HD23  LEU  66          HD23      LEU  66 -24.197 -10.637 -11.984
  548    H    GLY  67           H        GLY  67 -21.803 -12.656  -8.565
  549    HA2  GLY  67           HA2      GLY  67 -21.418 -14.411  -6.553
  550    HA3  GLY  67           HA3      GLY  67 -22.364 -15.362  -7.721
  551    H    MET  68           H        MET  68 -20.055 -16.407  -7.515
  552    HA   MET  68           HA       MET  68 -17.906 -15.320  -9.118
  553    HB2  MET  68           HB2      MET  68 -18.591 -18.183  -8.318
  554    HB3  MET  68           HB3      MET  68 -17.144 -17.721  -9.205
  555    HG2  MET  68           HG2      MET  68 -17.872 -16.768  -6.423
  556    HG3  MET  68           HG3      MET  68 -16.699 -18.020  -6.809
  557    HE1  MET  68           HE1      MET  68 -14.325 -17.669  -7.756
  558    HE2  MET  68           HE2      MET  68 -15.025 -16.969  -9.237
  559    HE3  MET  68           HE3      MET  68 -13.720 -16.124  -8.390
  560    H    ALA  69           H        ALA  69 -17.271 -15.887 -11.184
  561    HA   ALA  69           HA       ALA  69 -19.327 -16.392 -13.193
  562    HB1  ALA  69           HB1      ALA  69 -16.285 -16.403 -13.373
  563    HB2  ALA  69           HB2      ALA  69 -17.410 -16.222 -14.727
  564    HB3  ALA  69           HB3      ALA  69 -17.291 -14.938 -13.522
  565    HA   PRO  70           HA       PRO  70 -18.971 -20.877 -13.527
  566    HB2  PRO  70           HB2      PRO  70 -17.633 -20.437 -16.211
  567    HB3  PRO  70           HB3      PRO  70 -18.882 -21.644 -15.765
  568    HG2  PRO  70           HG2      PRO  70 -19.612 -19.383 -17.054
  569    HG3  PRO  70           HG3      PRO  70 -20.578 -19.948 -15.650
  570    HD2  PRO  70           HD2      PRO  70 -18.472 -17.788 -15.742
  571    HD3  PRO  70           HD3      PRO  70 -20.061 -17.769 -14.917
  572    H    ASP  71           H        ASP  71 -17.481 -22.363 -12.818
  573    HA   ASP  71           HA       ASP  71 -14.911 -21.581 -11.997
  574    HB2  ASP  71           HB2      ASP  71 -14.565 -23.781 -11.296
  575    HB3  ASP  71           HB3      ASP  71 -16.292 -23.519 -11.107
  576    H    ASP  72           H        ASP  72 -16.027 -22.928 -15.050
  577    HA   ASP  72           HA       ASP  72 -13.616 -23.784 -16.216
  578    HB2  ASP  72           HB2      ASP  72 -15.817 -24.213 -17.181
  579    HB3  ASP  72           HB3      ASP  72 -16.061 -22.487 -17.469
  580    H    GLU  73           H        GLU  73 -14.870 -20.473 -15.755
  581    HA   GLU  73           HA       GLU  73 -12.727 -19.321 -17.455
  582    HB2  GLU  73           HB2      GLU  73 -14.999 -18.029 -15.877
  583    HB3  GLU  73           HB3      GLU  73 -13.772 -17.157 -16.807
  584    HG2  GLU  73           HG2      GLU  73 -14.474 -18.486 -18.851
  585    HG3  GLU  73           HG3      GLU  73 -15.816 -19.134 -17.905
  586    H    CYS  74           H        CYS  74 -13.552 -19.926 -14.073
  587    HA   CYS  74           HA       CYS  74 -11.560 -18.112 -13.020
  588    HB2  CYS  74           HB2      CYS  74 -13.170 -20.278 -11.625
  589    HB3  CYS  74           HB3      CYS  74 -12.228 -18.998 -10.845
  590    HG   CYS  74           HG       CYS  74 -14.878 -18.762 -12.829
  591    H    LEU  75           H        LEU  75 -10.629 -20.368 -14.826
  592    HA   LEU  75           HA       LEU  75  -9.331 -22.345 -13.212
  593    HB2  LEU  75           HB2      LEU  75  -9.889 -21.904 -16.022
  594    HB3  LEU  75           HB3      LEU  75  -8.172 -22.178 -15.863
  595    HG   LEU  75           HG       LEU  75  -9.268 -24.243 -16.334
  596   HD11  LEU  75          HD11      LEU  75  -8.448 -24.346 -13.398
  597   HD12  LEU  75          HD12      LEU  75  -8.445 -25.671 -14.577
  598   HD13  LEU  75          HD13      LEU  75  -7.340 -24.303 -14.783
  599   HD21  LEU  75          HD21      LEU  75 -10.931 -25.300 -14.907
  600   HD22  LEU  75          HD22      LEU  75 -10.921 -23.911 -13.802
  601   HD23  LEU  75          HD23      LEU  75 -11.505 -23.720 -15.460
  602    H    LYS  76           H        LYS  76  -8.453 -19.141 -13.741
  603    HA   LYS  76           HA       LYS  76  -5.713 -19.668 -12.802
  604    HB2  LYS  76           HB2      LYS  76  -4.655 -18.329 -14.529
  605    HB3  LYS  76           HB3      LYS  76  -5.433 -19.750 -15.220
  606    HG2  LYS  76           HG2      LYS  76  -7.319 -18.389 -16.021
  607    HG3  LYS  76           HG3      LYS  76  -6.642 -16.939 -15.274
  608    HD2  LYS  76           HD2      LYS  76  -5.276 -18.542 -17.474
  609    HD3  LYS  76           HD3      LYS  76  -6.262 -17.093 -17.728
  610    HE2  LYS  76           HE2      LYS  76  -4.720 -15.792 -16.255
  611    HE3  LYS  76           HE3      LYS  76  -3.700 -17.222 -16.072
  612    HZ1  LYS  76           HZ1      LYS  76  -2.858 -15.760 -17.791
  613    HZ2  LYS  76           HZ2      LYS  76  -3.311 -17.168 -18.472
  614    HZ3  LYS  76           HZ3      LYS  76  -4.247 -15.838 -18.635
  615    H    ASP  77           H        ASP  77  -8.433 -17.488 -13.097
  616    HA   ASP  77           HA       ASP  77  -7.228 -15.548 -11.240
  617    HB2  ASP  77           HB2      ASP  77  -6.543 -14.692 -13.435
  618    HB3  ASP  77           HB3      ASP  77  -8.168 -14.932 -14.078
  619    H    MET  78           H        MET  78  -8.980 -14.471 -10.101
  620    HA   MET  78           HA       MET  78 -11.433 -16.087 -10.158
  621    HB2  MET  78           HB2      MET  78 -10.504 -13.807  -8.370
  622    HB3  MET  78           HB3      MET  78 -12.031 -14.658  -8.170
  623    HG2  MET  78           HG2      MET  78  -9.259 -15.904  -7.975
  624    HG3  MET  78           HG3      MET  78 -10.328 -15.503  -6.644
  625    HE1  MET  78           HE1      MET  78 -10.239 -19.372  -9.031
  626    HE2  MET  78           HE2      MET  78  -9.936 -17.840  -9.865
  627    HE3  MET  78           HE3      MET  78  -8.905 -18.329  -8.500
  628    H    TYR  79           H        TYR  79 -13.303 -15.543 -11.172
  629    HA   TYR  79           HA       TYR  79 -13.708 -12.734 -12.083
  630    HB2  TYR  79           HB2      TYR  79 -14.281 -15.387 -13.453
  631    HB3  TYR  79           HB3      TYR  79 -14.992 -13.870 -13.962
  632    HD1  TYR  79           HD2      TYR  79 -13.604 -12.066 -14.966
  633    HD2  TYR  79           HD1      TYR  79 -12.019 -15.975 -14.069
  634    HE1  TYR  79           HE2      TYR  79 -11.767 -11.680 -16.570
  635    HE2  TYR  79           HE1      TYR  79 -10.159 -15.594 -15.645
  636    HH   TYR  79           HH       TYR  79  -9.836 -12.557 -17.555
  637    H    VAL  80           H        VAL  80 -15.872 -12.007 -12.053
  638    HA   VAL  80           HA       VAL  80 -17.874 -13.712 -10.640
  639    HB   VAL  80           HB       VAL  80 -18.544 -11.593  -9.475
  640   HG11  VAL  80          HG11      VAL  80 -16.862 -11.784  -7.692
  641   HG12  VAL  80          HG12      VAL  80 -17.390 -13.359  -8.275
  642   HG13  VAL  80          HG13      VAL  80 -15.810 -12.725  -8.774
  643   HG21  VAL  80          HG21      VAL  80 -16.919  -9.798  -9.144
  644   HG22  VAL  80          HG22      VAL  80 -15.760 -10.580 -10.231
  645   HG23  VAL  80          HG23      VAL  80 -17.293  -9.940 -10.865
  646    H    GLU  81           H        GLU  81 -20.027 -13.325 -11.151
  647    HA   GLU  81           HA       GLU  81 -20.561 -12.086 -13.791
  648    HB2  GLU  81           HB2      GLU  81 -22.370 -13.414 -11.717
  649    HB3  GLU  81           HB3      GLU  81 -22.923 -12.723 -13.253
  650    HG2  GLU  81           HG2      GLU  81 -21.346 -14.309 -14.442
  651    HG3  GLU  81           HG3      GLU  81 -21.033 -15.074 -12.881
  652    H    VAL  82           H        VAL  82 -21.524 -10.029 -13.992
  653    HA   VAL  82           HA       VAL  82 -22.092  -8.542 -11.499
  654    HB   VAL  82           HB       VAL  82 -19.678  -8.422 -11.976
  655   HG11  VAL  82          HG11      VAL  82 -18.800  -7.264 -13.960
  656   HG12  VAL  82          HG12      VAL  82 -19.625  -8.756 -14.404
  657   HG13  VAL  82          HG13      VAL  82 -20.404  -7.178 -14.665
  658   HG21  VAL  82          HG21      VAL  82 -21.062  -5.806 -12.573
  659   HG22  VAL  82          HG22      VAL  82 -20.745  -6.507 -10.962
  660   HG23  VAL  82          HG23      VAL  82 -19.392  -6.020 -11.994
  661    H    ALA  83           H        ALA  83 -23.734  -7.137 -11.699
  662    HA   ALA  83           HA       ALA  83 -24.925  -6.689 -14.395
  663    HB1  ALA  83           HB1      ALA  83 -26.130  -6.558 -11.613
  664    HB2  ALA  83           HB2      ALA  83 -26.936  -5.972 -13.093
  665    HB3  ALA  83           HB3      ALA  83 -26.536  -7.688 -12.929
  666    H    ASP  84           H        ASP  84 -24.915  -4.628 -15.189
  667    HA   ASP  84           HA       ASP  84 -23.059  -2.839 -13.793
  668    HB2  ASP  84           HB2      ASP  84 -22.696  -3.467 -16.127
  669    HB3  ASP  84           HB3      ASP  84 -24.237  -2.719 -16.578
  670    H    ILE  85           H        ILE  85 -24.762  -2.467 -12.118
  671    HA   ILE  85           HA       ILE  85 -27.005  -0.795 -12.672
  672    HB   ILE  85           HB       ILE  85 -27.093  -0.327 -10.311
  673   HG12  ILE  85          HG12      ILE  85 -24.441  -1.765 -10.009
  674   HG13  ILE  85          HG13      ILE  85 -24.621  -0.013  -9.922
  675   HG21  ILE  85          HG21      ILE  85 -27.844  -2.537 -11.258
  676   HG22  ILE  85          HG22      ILE  85 -26.302  -3.246 -10.733
  677   HG23  ILE  85          HG23      ILE  85 -27.444  -2.592  -9.543
  678   HD11  ILE  85          HD11      ILE  85 -25.876  -2.021  -8.004
  679   HD12  ILE  85          HD12      ILE  85 -24.501  -0.966  -7.683
  680   HD13  ILE  85          HD13      ILE  85 -26.107  -0.257  -7.956
  681    H    GLY  86           H        GLY  86 -23.795   0.026 -13.198
  682    HA2  GLY  86           HA2      GLY  86 -24.160   2.912 -12.629
  683    HA3  GLY  86           HA3      GLY  86 -22.664   2.062 -13.036
  684    H    GLY  87           H        GLY  87 -24.483   0.641 -15.265
  685    HA2  GLY  87           HA2      GLY  87 -24.445   2.889 -17.244
  686    HA3  GLY  87           HA3      GLY  87 -23.406   1.477 -17.431
  687    H    LYS  88           H        LYS  88 -25.909  -0.182 -16.342
  688    HA   LYS  88           HA       LYS  88 -27.617  -0.020 -18.787
  689    HB2  LYS  88           HB2      LYS  88 -26.367  -2.573 -17.679
  690    HB3  LYS  88           HB3      LYS  88 -27.584  -2.505 -18.939
  691    HG2  LYS  88           HG2      LYS  88 -24.775  -1.349 -19.173
  692    HG3  LYS  88           HG3      LYS  88 -25.272  -2.925 -19.759
  693    HD2  LYS  88           HD2      LYS  88 -26.511  -0.328 -20.736
  694    HD3  LYS  88           HD3      LYS  88 -25.136  -1.094 -21.506
  695    HE2  LYS  88           HE2      LYS  88 -27.821  -2.502 -21.123
  696    HE3  LYS  88           HE3      LYS  88 -27.422  -1.520 -22.530
  697    HZ1  LYS  88           HZ1      LYS  88 -25.500  -3.027 -22.899
  698    HZ2  LYS  88           HZ2      LYS  88 -26.081  -4.056 -21.755
  699    HZ3  LYS  88           HZ3      LYS  88 -26.953  -3.734 -23.084
  700    H    ASP  89           H        ASP  89 -27.149  -1.276 -15.506
  701    HA   ASP  89           HA       ASP  89 -28.415  -1.852 -13.818
  702    HB2  ASP  89           HB2      ASP  89 -29.288   0.421 -14.015
  703    HB3  ASP  89           HB3      ASP  89 -30.553  -0.142 -15.112
  704    H    ASP  90           H        ASP  90 -29.847  -2.581 -16.897
  705    HA   ASP  90           HA       ASP  90 -31.423  -4.826 -15.738
  706    HB2  ASP  90           HB2      ASP  90 -32.570  -2.906 -16.881
  707    HB3  ASP  90           HB3      ASP  90 -31.669  -3.309 -18.347
  708    H    ASP  91           H        ASP  91 -28.457  -4.608 -16.777
  709    HA   ASP  91           HA       ASP  91 -28.514  -7.075 -18.424
  710    HB2  ASP  91           HB2      ASP  91 -28.325  -4.968 -19.885
  711    HB3  ASP  91           HB3      ASP  91 -26.738  -4.749 -19.117
  712    H    VAL  92           H        VAL  92 -26.413  -8.063 -18.581
  713    HA   VAL  92           HA       VAL  92 -24.736  -7.720 -16.168
  714    HB   VAL  92           HB       VAL  92 -26.616  -9.186 -15.664
  715   HG11  VAL  92          HG11      VAL  92 -26.955 -11.360 -16.738
  716   HG12  VAL  92          HG12      VAL  92 -27.173 -10.049 -17.895
  717   HG13  VAL  92          HG13      VAL  92 -25.673 -11.006 -17.913
  718   HG21  VAL  92          HG21      VAL  92 -25.477 -11.178 -14.842
  719   HG22  VAL  92          HG22      VAL  92 -24.054 -10.808 -15.834
  720   HG23  VAL  92          HG23      VAL  92 -24.552  -9.719 -14.516
  721    H    TYR  93           H        TYR  93 -22.719  -8.600 -16.239
  722    HA   TYR  93           HA       TYR  93 -21.540  -9.598 -18.768
  723    HB2  TYR  93           HB2      TYR  93 -20.506  -7.256 -17.100
  724    HB3  TYR  93           HB3      TYR  93 -19.735  -7.926 -18.524
  725    HD1  TYR  93           HD1      TYR  93 -20.592  -7.494 -20.788
  726    HD2  TYR  93           HD2      TYR  93 -22.430  -5.745 -17.295
  727    HE1  TYR  93           HE1      TYR  93 -21.722  -5.832 -22.225
  728    HE2  TYR  93           HE2      TYR  93 -23.580  -4.093 -18.721
  729    HH   TYR  93           HH       TYR  93 -23.078  -3.968 -22.298
  730    H    THR  94           H        THR  94 -18.903  -9.590 -17.841
  731    HA   THR  94           HA       THR  94 -18.892 -10.938 -15.203
  732    HB   THR  94           HB       THR  94 -17.283 -11.751 -17.660
  733    HG1  THR  94           HG1      THR  94 -19.437 -12.407 -17.773
  734   HG21  THR  94          HG21      THR  94 -16.602 -13.711 -16.280
  735   HG22  THR  94          HG22      THR  94 -15.996 -12.189 -15.622
  736   HG23  THR  94          HG23      THR  94 -17.397 -12.979 -14.869
  737    H    ALA  95           H        ALA  95 -17.070 -10.390 -13.975
  738    HA   ALA  95           HA       ALA  95 -15.157  -8.403 -15.096
  739    HB1  ALA  95           HB1      ALA  95 -15.242  -7.191 -12.870
  740    HB2  ALA  95           HB2      ALA  95 -16.675  -6.993 -13.870
  741    HB3  ALA  95           HB3      ALA  95 -16.711  -8.120 -12.490
  742    H    LYS  96           H        LYS  96 -13.186  -8.303 -13.940
  743    HA   LYS  96           HA       LYS  96 -12.269 -10.878 -12.839
  744    HB2  LYS  96           HB2      LYS  96 -10.888  -8.170 -13.018
  745    HB3  LYS  96           HB3      LYS  96 -10.108  -9.705 -12.697
  746    HG2  LYS  96           HG2      LYS  96 -10.140 -10.379 -14.903
  747    HG3  LYS  96           HG3      LYS  96 -11.586  -9.478 -15.327
  748    HD2  LYS  96           HD2      LYS  96  -8.895  -8.187 -14.775
  749    HD3  LYS  96           HD3      LYS  96  -9.504  -8.601 -16.386
  750    HE2  LYS  96           HE2      LYS  96 -11.423  -7.071 -16.127
  751    HE3  LYS  96           HE3      LYS  96 -10.970  -6.737 -14.464
  752    HZ1  LYS  96           HZ1      LYS  96  -8.777  -5.916 -15.509
  753    HZ2  LYS  96           HZ2      LYS  96  -9.640  -5.792 -16.894
  754    HZ3  LYS  96           HZ3      LYS  96 -10.089  -4.961 -15.532
  755    H    LEU  97           H        LEU  97 -12.437 -11.257 -10.595
  756    HA   LEU  97           HA       LEU  97 -13.574  -9.273  -8.825
  757    HB2  LEU  97           HB2      LEU  97 -13.694 -11.726  -8.408
  758    HB3  LEU  97           HB3      LEU  97 -11.940 -11.772  -8.204
  759    HG   LEU  97           HG       LEU  97 -12.110 -10.299  -6.214
  760   HD11  LEU  97          HD11      LEU  97 -15.118 -10.432  -6.747
  761   HD12  LEU  97          HD12      LEU  97 -14.400  -9.886  -5.223
  762   HD13  LEU  97          HD13      LEU  97 -14.101  -8.973  -6.694
  763   HD21  LEU  97          HD21      LEU  97 -12.216 -12.768  -6.025
  764   HD22  LEU  97          HD22      LEU  97 -13.091 -11.955  -4.730
  765   HD23  LEU  97          HD23      LEU  97 -13.995 -12.678  -6.081
  766    H    SER  98           H        SER  98 -10.326 -10.335  -9.672
  767    HA   SER  98           HA       SER  98  -8.588  -8.876  -8.187
  768    HB2  SER  98           HB2      SER  98  -8.429  -9.415 -11.178
  769    HB3  SER  98           HB3      SER  98  -7.104  -9.422 -10.007
  770    HG   SER  98           HG       SER  98  -8.009 -11.579 -10.635
  771    H    ASP  99           H        ASP  99 -10.951  -7.446 -10.298
  772    HA   ASP  99           HA       ASP  99  -9.453  -4.888 -10.316
  773    HB2  ASP  99           HB2      ASP  99  -9.655  -6.262 -12.505
  774    HB3  ASP  99           HB3      ASP  99 -11.365  -5.819 -12.479
  775    H    ILE 100           H        ILE 100 -11.705  -6.216  -8.654
  776    HA   ILE 100           HA       ILE 100 -13.580  -3.892  -8.652
  777    HB   ILE 100           HB       ILE 100 -14.019  -6.812  -8.736
  778   HG12  ILE 100          HG12      ILE 100 -15.872  -4.451  -9.236
  779   HG13  ILE 100          HG13      ILE 100 -14.748  -5.125 -10.435
  780   HG21  ILE 100          HG21      ILE 100 -15.871  -5.302  -6.869
  781   HG22  ILE 100          HG22      ILE 100 -15.997  -6.994  -7.387
  782   HG23  ILE 100          HG23      ILE 100 -14.666  -6.512  -6.358
  783   HD11  ILE 100          HD11      ILE 100 -16.920  -5.988 -10.914
  784   HD12  ILE 100          HD12      ILE 100 -15.976  -7.327 -10.220
  785   HD13  ILE 100          HD13      ILE 100 -17.193  -6.471  -9.236
  786    H    GLU 101           H        GLU 101 -14.404  -3.291  -6.661
  787    HA   GLU 101           HA       GLU 101 -12.989  -4.225  -4.224
  788    HB2  GLU 101           HB2      GLU 101 -12.190  -1.955  -4.815
  789    HB3  GLU 101           HB3      GLU 101 -13.866  -1.399  -4.981
  790    HG2  GLU 101           HG2      GLU 101 -12.902  -0.674  -2.855
  791    HG3  GLU 101           HG3      GLU 101 -14.271  -1.743  -2.604
  792    H    ALA 102           H        ALA 102 -14.441  -4.631  -2.517
  793    HA   ALA 102           HA       ALA 102 -17.280  -4.882  -3.371
  794    HB1  ALA 102           HB1      ALA 102 -16.109  -6.862  -2.474
  795    HB2  ALA 102           HB2      ALA 102 -15.844  -6.017  -0.932
  796    HB3  ALA 102           HB3      ALA 102 -17.498  -6.383  -1.483
  797    H    ILE 103           H        ILE 103 -18.893  -3.846  -2.332
  798    HA   ILE 103           HA       ILE 103 -18.265  -1.957  -0.103
  799    HB   ILE 103           HB       ILE 103 -19.770  -1.583  -2.702
  800   HG12  ILE 103          HG12      ILE 103 -17.578   0.091  -1.393
  801   HG13  ILE 103          HG13      ILE 103 -17.287  -1.147  -2.616
  802   HG21  ILE 103          HG21      ILE 103 -19.895   0.291  -0.298
  803   HG22  ILE 103          HG22      ILE 103 -20.563   0.625  -1.911
  804   HG23  ILE 103          HG23      ILE 103 -21.244  -0.667  -0.955
  805   HD11  ILE 103          HD11      ILE 103 -18.732   0.072  -4.211
  806   HD12  ILE 103          HD12      ILE 103 -18.846   1.412  -3.038
  807   HD13  ILE 103          HD13      ILE 103 -17.272   0.958  -3.702
  808    H    ASP 104           H        ASP 104 -19.730  -1.885   1.518
  809    HA   ASP 104           HA       ASP 104 -21.410  -2.444   2.873
  810    HB2  ASP 104           HB2      ASP 104 -22.501  -0.900   1.289
  811    HB3  ASP 104           HB3      ASP 104 -23.082  -2.274   0.349
  812    H    VAL 105           H        VAL 105 -19.930  -4.694   2.025
  813    HA   VAL 105           HA       VAL 105 -21.994  -6.840   2.056
  814    HB   VAL 105           HB       VAL 105 -20.361  -6.616   0.118
  815   HG11  VAL 105          HG11      VAL 105 -18.271  -6.171   1.310
  816   HG12  VAL 105          HG12      VAL 105 -18.360  -7.768   2.079
  817   HG13  VAL 105          HG13      VAL 105 -18.157  -7.640   0.330
  818   HG21  VAL 105          HG21      VAL 105 -20.431  -9.302   1.496
  819   HG22  VAL 105          HG22      VAL 105 -21.769  -8.582   0.593
  820   HG23  VAL 105          HG23      VAL 105 -20.248  -8.942  -0.231
  821    H    ASP 106           H        ASP 106 -21.140  -8.913   3.207
  822    HA   ASP 106           HA       ASP 106 -20.790  -8.302   5.990
  823    HB2  ASP 106           HB2      ASP 106 -21.970 -10.317   5.178
  824    HB3  ASP 106           HB3      ASP 106 -20.451 -10.911   4.479
  825    H    ASP 107           H        ASP 107 -19.042  -8.859   7.304
  826    HA   ASP 107           HA       ASP 107 -16.532  -7.872   6.462
  827    HB2  ASP 107           HB2      ASP 107 -17.281  -7.854   8.793
  828    HB3  ASP 107           HB3      ASP 107 -17.275  -9.619   8.838
  829    H    ASP 108           H        ASP 108 -17.664 -11.318   6.684
  830    HA   ASP 108           HA       ASP 108 -14.963 -12.275   6.242
  831    HB2  ASP 108           HB2      ASP 108 -16.929 -13.502   7.401
  832    HB3  ASP 108           HB3      ASP 108 -17.483 -13.886   5.762
  833    H    THR 109           H        THR 109 -17.601 -11.254   4.192
  834    HA   THR 109           HA       THR 109 -16.639 -12.535   1.727
  835    HB   THR 109           HB       THR 109 -18.626 -10.255   2.213
  836    HG1  THR 109           HG1      THR 109 -19.106 -12.438   3.030
  837   HG21  THR 109          HG21      THR 109 -17.955 -10.080  -0.065
  838   HG22  THR 109          HG22      THR 109 -17.874 -11.834  -0.238
  839   HG23  THR 109          HG23      THR 109 -19.447 -11.053  -0.095
  840    H    GLN 110           H        GLN 110 -16.602  -9.229   3.218
  841    HA   GLN 110           HA       GLN 110 -15.059  -8.024   1.199
  842    HB2  GLN 110           HB2      GLN 110 -16.365  -7.060   3.301
  843    HB3  GLN 110           HB3      GLN 110 -14.811  -7.203   4.113
  844    HG2  GLN 110           HG2      GLN 110 -15.438  -5.618   1.578
  845    HG3  GLN 110           HG3      GLN 110 -15.195  -4.946   3.184
  846   HE21  GLN 110          HE22      GLN 110 -13.641  -5.527   0.240
  847   HE22  GLN 110          HE21      GLN 110 -11.993  -5.509   0.790
  848    H    GLU 111           H        GLU 111 -14.019  -9.665   4.247
  849    HA   GLU 111           HA       GLU 111 -11.251  -9.243   3.909
  850    HB2  GLU 111           HB2      GLU 111 -12.874 -11.350   5.374
  851    HB3  GLU 111           HB3      GLU 111 -11.118 -11.320   5.454
  852    HG2  GLU 111           HG2      GLU 111 -12.711  -8.818   6.150
  853    HG3  GLU 111           HG3      GLU 111 -12.506 -10.131   7.307
  854    H    ALA 112           H        ALA 112 -13.325 -11.934   2.649
  855    HA   ALA 112           HA       ALA 112 -11.134 -13.511   1.694
  856    HB1  ALA 112           HB1      ALA 112 -13.434 -14.379   1.895
  857    HB2  ALA 112           HB2      ALA 112 -13.971 -13.301   0.584
  858    HB3  ALA 112           HB3      ALA 112 -12.804 -14.598   0.253
  859    H    ILE 113           H        ILE 113 -13.021 -10.864   0.198
  860    HA   ILE 113           HA       ILE 113 -11.752 -11.035  -2.378
  861    HB   ILE 113           HB       ILE 113 -13.349  -8.841  -0.988
  862   HG12  ILE 113          HG12      ILE 113 -14.196 -10.834  -3.143
  863   HG13  ILE 113          HG13      ILE 113 -14.471 -11.100  -1.441
  864   HG21  ILE 113          HG21      ILE 113 -13.686  -7.879  -3.275
  865   HG22  ILE 113          HG22      ILE 113 -12.010  -7.802  -2.757
  866   HG23  ILE 113          HG23      ILE 113 -12.509  -9.047  -3.916
  867   HD11  ILE 113          HD11      ILE 113 -15.694  -8.926  -3.132
  868   HD12  ILE 113          HD12      ILE 113 -16.493 -10.270  -2.309
  869   HD13  ILE 113          HD13      ILE 113 -15.786  -8.966  -1.343
  870    H    ALA 114           H        ALA 114 -11.209  -8.924   0.513
  871    HA   ALA 114           HA       ALA 114  -9.070  -7.414  -0.567
  872    HB1  ALA 114           HB1      ALA 114  -8.507  -6.950   1.787
  873    HB2  ALA 114           HB2      ALA 114 -10.258  -6.833   1.526
  874    HB3  ALA 114           HB3      ALA 114  -9.570  -8.267   2.322
  875    H    ASP 115           H        ASP 115  -9.091 -10.553   1.168
  876    HA   ASP 115           HA       ASP 115  -6.261 -10.838   1.327
  877    HB2  ASP 115           HB2      ASP 115  -7.851 -12.055   2.744
  878    HB3  ASP 115           HB3      ASP 115  -8.438 -12.955   1.340
  879    H    TRP 116           H        TRP 116  -8.611 -11.862  -1.212
  880    HA   TRP 116           HA       TRP 116  -6.692 -13.214  -2.870
  881    HB2  TRP 116           HB2      TRP 116  -9.033 -13.535  -3.295
  882    HB3  TRP 116           HB3      TRP 116  -9.321 -11.810  -3.441
  883    HD1  TRP 116           HD1      TRP 116  -9.493 -10.927  -5.791
  884    HE1  TRP 116           HE1      TRP 116  -8.694 -11.610  -8.138
  885    HE3  TRP 116           HE3      TRP 116  -6.766 -15.091  -4.577
  886    HZ2  TRP 116           HZ2      TRP 116  -7.164 -13.721  -9.330
  887    HZ3  TRP 116           HZ3      TRP 116  -5.663 -16.427  -6.340
  888    HH2  TRP 116           HH2      TRP 116  -5.851 -15.756  -8.724
  889    H    LEU 117           H        LEU 117  -7.789  -9.781  -2.731
  890    HA   LEU 117           HA       LEU 117  -6.226  -8.916  -4.949
  891    HB2  LEU 117           HB2      LEU 117  -7.322  -7.443  -2.525
  892    HB3  LEU 117           HB3      LEU 117  -6.505  -6.621  -3.845
  893    HG   LEU 117           HG       LEU 117  -8.926  -8.401  -4.357
  894   HD11  LEU 117          HD11      LEU 117  -8.916  -5.421  -3.730
  895   HD12  LEU 117          HD12      LEU 117 -10.310  -6.366  -4.304
  896   HD13  LEU 117          HD13      LEU 117  -9.605  -6.716  -2.722
  897   HD21  LEU 117          HD21      LEU 117  -9.159  -7.031  -6.379
  898   HD22  LEU 117          HD22      LEU 117  -7.724  -6.085  -5.931
  899   HD23  LEU 117          HD23      LEU 117  -7.569  -7.806  -6.336
  900    H    TYR 118           H        TYR 118  -5.481  -9.011  -1.408
  901    HA   TYR 118           HA       TYR 118  -2.837  -7.940  -1.632
  902    HB2  TYR 118           HB2      TYR 118  -3.887  -9.981   0.365
  903    HB3  TYR 118           HB3      TYR 118  -2.420  -9.032   0.529
  904    HD1  TYR 118           HD2      TYR 118  -3.766  -6.310  -0.466
  905    HD2  TYR 118           HD1      TYR 118  -4.791  -9.302   2.478
  906    HE1  TYR 118           HE2      TYR 118  -5.023  -4.619   0.811
  907    HE2  TYR 118           HE1      TYR 118  -6.055  -7.611   3.761
  908    HH   TYR 118           HH       TYR 118  -6.733  -5.381   3.881
  909    H    TRP 119           H        TRP 119  -4.025 -11.375  -1.716
  910    HA   TRP 119           HA       TRP 119  -1.553 -12.632  -1.889
  911    HB2  TRP 119           HB2      TRP 119  -3.413 -14.000  -1.573
  912    HB3  TRP 119           HB3      TRP 119  -4.290 -13.316  -2.938
  913    HD1  TRP 119           HD1      TRP 119  -4.053 -14.379  -5.215
  914    HE1  TRP 119           HE1      TRP 119  -2.657 -16.242  -6.282
  915    HE3  TRP 119           HE3      TRP 119  -0.938 -15.347  -1.275
  916    HZ2  TRP 119           HZ2      TRP 119  -0.408 -17.915  -5.507
  917    HZ3  TRP 119           HZ3      TRP 119   0.865 -17.040  -1.485
  918    HH2  TRP 119           HH2      TRP 119   1.143 -18.319  -3.600
  919    H    LEU 120           H        LEU 120  -3.511 -11.234  -4.571
  920    HA   LEU 120           HA       LEU 120  -1.818 -12.062  -6.705
  921    HB2  LEU 120           HB2      LEU 120  -3.590  -9.601  -6.304
  922    HB3  LEU 120           HB3      LEU 120  -2.749  -9.910  -7.809
  923    HG   LEU 120           HG       LEU 120  -4.797 -11.831  -6.620
  924   HD11  LEU 120          HD11      LEU 120  -6.279 -10.876  -8.355
  925   HD12  LEU 120          HD12      LEU 120  -5.801  -9.655  -7.164
  926   HD13  LEU 120          HD13      LEU 120  -5.030  -9.672  -8.764
  927   HD21  LEU 120          HD21      LEU 120  -3.244 -12.935  -8.128
  928   HD22  LEU 120          HD22      LEU 120  -4.779 -12.715  -8.970
  929   HD23  LEU 120          HD23      LEU 120  -3.417 -11.638  -9.335
  930    H    ALA 121           H        ALA 121  -1.812  -9.186  -4.579
  931    HA   ALA 121           HA       ALA 121   0.061  -7.746  -6.088
  932    HB1  ALA 121           HB1      ALA 121   0.082  -6.219  -4.156
  933    HB2  ALA 121           HB2      ALA 121  -1.575  -6.786  -4.476
  934    HB3  ALA 121           HB3      ALA 121  -0.646  -7.471  -3.129
  935    H    ARG 122           H        ARG 122   0.556 -10.264  -3.621
  936    HA   ARG 122           HA       ARG 122   3.340  -9.654  -3.076
  937    HB2  ARG 122           HB2      ARG 122   1.887 -12.342  -3.001
  938    HB3  ARG 122           HB3      ARG 122   3.575 -12.139  -2.593
  939    HG2  ARG 122           HG2      ARG 122   2.462 -12.235  -0.548
  940    HG3  ARG 122           HG3      ARG 122   2.941 -10.545  -0.750
  941    HD2  ARG 122           HD2      ARG 122   0.725  -9.914  -1.405
  942    HD3  ARG 122           HD3      ARG 122   0.206 -11.593  -1.564
  943    HE   ARG 122           HE       ARG 122   0.216  -9.941   0.795
  944   HH11  ARG 122          HH21      ARG 122   0.640 -13.378  -0.095
  945   HH12  ARG 122          HH22      ARG 122  -0.003 -13.935   1.427
  946   HH21  ARG 122          HH11      ARG 122  -0.758 -10.710   2.625
  947   HH22  ARG 122          HH12      ARG 122  -0.718 -12.427   3.006
  948    H    GLY 123           H        GLY 123   1.816 -10.914  -5.972
  949    HA2  GLY 123           HA2      GLY 123   3.518 -11.096  -7.866
  950    HA3  GLY 123           HA3      GLY 123   4.346 -12.268  -6.826
  951    H    TYR 124           H        TYR 124   1.354 -11.594  -8.606
  952    HA   TYR 124           HA       TYR 124  -0.169 -13.862  -8.122
  953    HB2  TYR 124           HB2      TYR 124  -1.044 -12.028  -9.362
  954    HB3  TYR 124           HB3      TYR 124   0.257 -12.091 -10.537
  955    HD1  TYR 124           HD2      TYR 124  -2.272 -14.636  -9.259
  956    HD2  TYR 124           HD1      TYR 124  -0.451 -12.674 -12.654
  957    HE1  TYR 124           HE2      TYR 124  -3.717 -15.927 -10.771
  958    HE2  TYR 124           HE1      TYR 124  -1.872 -14.003 -14.181
  959    HH   TYR 124           HH       TYR 124  -4.307 -16.337 -12.944
  960    H    LYS 125           H        LYS 125   0.151 -15.957  -8.443
  961    HA   LYS 125           HA       LYS 125   1.678 -16.936 -10.779
  962    HB2  LYS 125           HB2      LYS 125   2.917 -18.528  -9.390
  963    HB3  LYS 125           HB3      LYS 125   3.322 -16.854  -9.013
  964    HG2  LYS 125           HG2      LYS 125   1.818 -16.955  -7.006
  965    HG3  LYS 125           HG3      LYS 125   1.493 -18.651  -7.356
  966    HD2  LYS 125           HD2      LYS 125   4.223 -17.454  -6.727
  967    HD3  LYS 125           HD3      LYS 125   3.186 -18.318  -5.583
  968    HE2  LYS 125           HE2      LYS 125   3.321 -20.364  -6.996
  969    HE3  LYS 125           HE3      LYS 125   4.380 -19.511  -8.127
  970    HZ1  LYS 125           HZ1      LYS 125   6.001 -19.276  -6.340
  971    HZ2  LYS 125           HZ2      LYS 125   5.028 -20.065  -5.289
  972    HZ3  LYS 125           HZ3      LYS 125   5.648 -20.846  -6.577
  973    H    PHE 126           H        PHE 126  -0.884 -17.417  -8.395
  974    HA   PHE 126           HA       PHE 126  -2.293 -19.076 -10.185
  975    HB2  PHE 126           HB2      PHE 126  -2.777 -20.895  -8.623
  976    HB3  PHE 126           HB3      PHE 126  -1.101 -20.892  -9.125
  977    HD1  PHE 126           HD2      PHE 126  -3.351 -19.985  -6.262
  978    HD2  PHE 126           HD1      PHE 126   0.646 -20.968  -7.537
  979    HE1  PHE 126           HE2      PHE 126  -2.644 -20.235  -3.888
  980    HE2  PHE 126           HE1      PHE 126   1.360 -21.152  -5.169
  981    HZ   PHE 126           HZ       PHE 126  -0.295 -20.780  -3.335
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1   7.778  -9.826  -5.005
    2    H2   MET   1           H2       MET   1   6.861 -11.140  -5.359
    3    H3   MET   1           H3       MET   1   6.238  -9.633  -5.516
    4    HA   MET   1           HA       MET   1   5.372 -10.670  -3.546
    5    HB2  MET   1           HB2      MET   1   7.140 -12.221  -3.087
    6    HB3  MET   1           HB3      MET   1   8.311 -10.932  -2.816
    7    HG2  MET   1           HG2      MET   1   7.499 -12.050  -0.758
    8    HG3  MET   1           HG3      MET   1   7.302 -10.307  -0.749
    9    HE1  MET   1           HE1      MET   1   4.389 -11.901   1.470
   10    HE2  MET   1           HE2      MET   1   5.894 -12.777   1.114
   11    HE3  MET   1           HE3      MET   1   5.949 -11.046   1.506
   12    H    ALA   2           H        ALA   2   4.288  -8.730  -3.331
   13    HA   ALA   2           HA       ALA   2   5.659  -6.254  -2.779
   14    HB1  ALA   2           HB1      ALA   2   2.721  -7.019  -2.537
   15    HB2  ALA   2           HB2      ALA   2   3.374  -5.366  -2.574
   16    HB3  ALA   2           HB3      ALA   2   3.517  -6.402  -4.005
   17    H    SER   3           H        SER   3   4.955  -8.869  -0.672
   18    HA   SER   3           HA       SER   3   4.725  -9.142   1.540
   19    HB2  SER   3           HB2      SER   3   6.470  -6.665   1.712
   20    HB3  SER   3           HB3      SER   3   6.324  -7.961   2.912
   21    HG   SER   3           HG       SER   3   8.161  -8.198   1.539
   22    H    VAL   4           H        VAL   4   2.567  -7.615   0.342
   23    HA   VAL   4           HA       VAL   4   1.530  -5.591   2.003
   24    HB   VAL   4           HB       VAL   4  -0.713  -6.525   1.190
   25   HG11  VAL   4          HG11      VAL   4   1.421  -5.862  -0.884
   26   HG12  VAL   4          HG12      VAL   4  -0.336  -5.770  -1.128
   27   HG13  VAL   4          HG13      VAL   4   0.452  -4.704   0.044
   28   HG21  VAL   4          HG21      VAL   4   1.030  -8.373  -0.528
   29   HG22  VAL   4          HG22      VAL   4   0.012  -8.917   0.825
   30   HG23  VAL   4          HG23      VAL   4  -0.715  -8.165  -0.596
   31    H    GLU   5           H        GLU   5   1.735  -9.066   2.495
   32    HA   GLU   5           HA       GLU   5   1.213  -8.754   5.329
   33    HB2  GLU   5           HB2      GLU   5  -0.156 -10.942   3.699
   34    HB3  GLU   5           HB3      GLU   5  -0.160 -10.783   5.451
   35    HG2  GLU   5           HG2      GLU   5  -1.413  -8.608   5.196
   36    HG3  GLU   5           HG3      GLU   5  -1.532  -8.929   3.459
   37    H    ARG   6           H        ARG   6   2.658 -10.239   6.360
   38    HA   ARG   6           HA       ARG   6   4.356 -11.929   4.606
   39    HB2  ARG   6           HB2      ARG   6   6.359 -10.800   5.389
   40    HB3  ARG   6           HB3      ARG   6   5.248  -9.664   4.631
   41    HG2  ARG   6           HG2      ARG   6   4.465  -9.035   7.020
   42    HG3  ARG   6           HG3      ARG   6   5.829  -9.995   7.601
   43    HD2  ARG   6           HD2      ARG   6   6.511  -7.705   7.539
   44    HD3  ARG   6           HD3      ARG   6   7.360  -8.537   6.224
   45    HE   ARG   6           HE       ARG   6   4.992  -7.494   5.117
   46   HH11  ARG   6          HH11      ARG   6   7.882  -6.138   6.677
   47   HH12  ARG   6          HH12      ARG   6   7.800  -4.639   5.830
   48   HH21  ARG   6          HH21      ARG   6   4.905  -5.569   3.968
   49   HH22  ARG   6          HH22      ARG   6   6.040  -4.286   4.260
   50    H    ASP   7           H        ASP   7   2.388 -12.145   7.078
   51    HA   ASP   7           HA       ASP   7   4.021 -13.633   9.015
   52    HB2  ASP   7           HB2      ASP   7   2.034 -12.476   9.805
   53    HB3  ASP   7           HB3      ASP   7   1.021 -13.321   8.631
   54    H    GLU   8           H        GLU   8   4.888 -15.482   8.267
   55    HA   GLU   8           HA       GLU   8   4.132 -16.870   5.944
   56    HB2  GLU   8           HB2      GLU   8   5.665 -17.858   8.386
   57    HB3  GLU   8           HB3      GLU   8   5.587 -18.685   6.824
   58    HG2  GLU   8           HG2      GLU   8   6.619 -16.699   5.727
   59    HG3  GLU   8           HG3      GLU   8   6.767 -15.915   7.301
   60    H    THR   9           H        THR   9   2.653 -17.021   9.139
   61    HA   THR   9           HA       THR   9   1.544 -19.620   9.072
   62    HB   THR   9           HB       THR   9   0.184 -17.136  10.129
   63    HG1  THR   9           HG1      THR   9   2.108 -16.939  10.954
   64   HG21  THR   9          HG21      THR   9  -1.128 -19.192  10.292
   65   HG22  THR   9          HG22      THR   9   0.221 -20.030  11.090
   66   HG23  THR   9          HG23      THR   9  -0.606 -18.675  11.901
   67    H    ARG  10           H        ARG  10   0.482 -16.619   7.327
   68    HA   ARG  10           HA       ARG  10  -2.013 -17.840   6.566
   69    HB2  ARG  10           HB2      ARG  10  -1.747 -15.386   6.589
   70    HB3  ARG  10           HB3      ARG  10  -0.498 -15.482   5.345
   71    HG2  ARG  10           HG2      ARG  10  -2.643 -14.768   4.398
   72    HG3  ARG  10           HG3      ARG  10  -2.124 -16.306   3.708
   73    HD2  ARG  10           HD2      ARG  10  -3.661 -17.481   5.330
   74    HD3  ARG  10           HD3      ARG  10  -4.253 -15.899   5.858
   75    HE   ARG  10           HE       ARG  10  -4.723 -15.720   3.217
   76   HH11  ARG  10          HH11      ARG  10  -5.492 -18.295   5.562
   77   HH12  ARG  10          HH12      ARG  10  -6.790 -18.948   4.640
   78   HH21  ARG  10          HH21      ARG  10  -6.411 -16.647   1.955
   79   HH22  ARG  10          HH22      ARG  10  -7.352 -17.975   2.564
   80    H    GLU  11           H        GLU  11   1.223 -17.611   5.050
   81    HA   GLU  11           HA       GLU  11   0.455 -18.799   2.555
   82    HB2  GLU  11           HB2      GLU  11   3.168 -18.719   3.953
   83    HB3  GLU  11           HB3      GLU  11   2.884 -19.218   2.282
   84    HG2  GLU  11           HG2      GLU  11   1.924 -16.947   1.803
   85    HG3  GLU  11           HG3      GLU  11   2.343 -16.453   3.447
   86    H    HIS  12           H        HIS  12   1.749 -20.145   5.632
   87    HA   HIS  12           HA       HIS  12   1.862 -22.874   4.837
   88    HB2  HIS  12           HB2      HIS  12   2.973 -22.323   6.822
   89    HB3  HIS  12           HB3      HIS  12   1.649 -21.334   7.420
   90    HD1  HIS  12           HD1      HIS  12   2.010 -25.179   6.748
   91    HD2  HIS  12           HD2      HIS  12   0.345 -22.307   9.340
   92    HE1  HIS  12           HE1      HIS  12   0.804 -26.480   8.573
   93    H    ARG  13           H        ARG  13  -0.820 -21.013   6.464
   94    HA   ARG  13           HA       ARG  13  -2.533 -23.302   6.590
   95    HB2  ARG  13           HB2      ARG  13  -3.051 -20.306   6.745
   96    HB3  ARG  13           HB3      ARG  13  -4.343 -21.506   6.902
   97    HG2  ARG  13           HG2      ARG  13  -3.273 -22.543   8.820
   98    HG3  ARG  13           HG3      ARG  13  -1.857 -21.487   8.674
   99    HD2  ARG  13           HD2      ARG  13  -3.210 -19.516   9.136
  100    HD3  ARG  13           HD3      ARG  13  -4.691 -20.502   9.196
  101    HE   ARG  13           HE       ARG  13  -2.980 -21.651  11.055
  102   HH11  ARG  13          HH11      ARG  13  -4.501 -18.468  10.646
  103   HH12  ARG  13          HH12      ARG  13  -4.514 -18.098  12.329
  104   HH21  ARG  13          HH21      ARG  13  -3.001 -21.162  13.303
  105   HH22  ARG  13          HH22      ARG  13  -3.650 -19.673  13.872
  106    H    ILE  14           H        ILE  14  -2.498 -20.578   4.160
  107    HA   ILE  14           HA       ILE  14  -4.684 -21.608   2.794
  108    HB   ILE  14           HB       ILE  14  -3.578 -19.306   2.642
  109   HG12  ILE  14          HG12      ILE  14  -4.701 -20.697   0.194
  110   HG13  ILE  14          HG13      ILE  14  -5.573 -19.869   1.501
  111   HG21  ILE  14          HG21      ILE  14  -2.065 -20.527   0.310
  112   HG22  ILE  14          HG22      ILE  14  -2.019 -18.844   0.882
  113   HG23  ILE  14          HG23      ILE  14  -1.339 -20.122   1.882
  114   HD11  ILE  14          HD11      ILE  14  -3.836 -18.582  -0.621
  115   HD12  ILE  14          HD12      ILE  14  -5.583 -18.415  -0.366
  116   HD13  ILE  14          HD13      ILE  14  -4.450 -17.722   0.813
  117    H    GLU  15           H        GLU  15  -1.209 -22.406   2.430
  118    HA   GLU  15           HA       GLU  15  -1.417 -24.095   0.143
  119    HB2  GLU  15           HB2      GLU  15   0.686 -23.192   0.981
  120    HB3  GLU  15           HB3      GLU  15   0.494 -24.064   2.500
  121    HG2  GLU  15           HG2      GLU  15   2.097 -25.202   1.103
  122    HG3  GLU  15           HG3      GLU  15   0.676 -26.209   1.355
  123    H    THR  16           H        THR  16  -1.900 -24.732   3.663
  124    HA   THR  16           HA       THR  16  -2.155 -27.608   3.051
  125    HB   THR  16           HB       THR  16  -1.976 -27.852   5.532
  126    HG1  THR  16           HG1      THR  16  -1.238 -25.115   5.496
  127   HG21  THR  16          HG21      THR  16  -0.002 -28.052   4.070
  128   HG22  THR  16          HG22      THR  16   0.302 -26.309   4.213
  129   HG23  THR  16          HG23      THR  16   0.414 -27.358   5.644
  130    H    GLU  17           H        GLU  17  -4.346 -25.150   3.037
  131    HA   GLU  17           HA       GLU  17  -6.528 -26.961   4.020
  132    HB2  GLU  17           HB2      GLU  17  -6.292 -23.936   4.218
  133    HB3  GLU  17           HB3      GLU  17  -7.714 -24.854   4.663
  134    HG2  GLU  17           HG2      GLU  17  -4.977 -25.121   5.976
  135    HG3  GLU  17           HG3      GLU  17  -6.335 -24.206   6.608
  136    H    ILE  18           H        ILE  18  -5.526 -24.698   1.424
  137    HA   ILE  18           HA       ILE  18  -8.281 -24.896   0.285
  138    HB   ILE  18           HB       ILE  18  -6.026 -23.038  -0.521
  139   HG12  ILE  18          HG12      ILE  18  -6.290 -22.474   1.746
  140   HG13  ILE  18          HG13      ILE  18  -7.084 -21.247   0.774
  141   HG21  ILE  18          HG21      ILE  18  -7.818 -23.179  -2.166
  142   HG22  ILE  18          HG22      ILE  18  -9.027 -22.859  -0.912
  143   HG23  ILE  18          HG23      ILE  18  -7.838 -21.609  -1.381
  144   HD11  ILE  18          HD11      ILE  18  -8.250 -21.702   2.824
  145   HD12  ILE  18          HD12      ILE  18  -9.272 -22.111   1.421
  146   HD13  ILE  18          HD13      ILE  18  -8.485 -23.399   2.376
  147    H    ILE  19           H        ILE  19  -4.877 -25.555  -0.448
  148    HA   ILE  19           HA       ILE  19  -5.624 -26.633  -3.123
  149    HB   ILE  19           HB       ILE  19  -3.547 -25.527  -3.940
  150   HG12  ILE  19          HG12      ILE  19  -3.410 -24.460  -1.101
  151   HG13  ILE  19          HG13      ILE  19  -2.171 -25.254  -2.050
  152   HG21  ILE  19          HG21      ILE  19  -5.857 -24.536  -4.175
  153   HG22  ILE  19          HG22      ILE  19  -5.507 -23.497  -2.786
  154   HG23  ILE  19          HG23      ILE  19  -4.545 -23.369  -4.260
  155   HD11  ILE  19          HD11      ILE  19  -2.145 -23.170  -3.517
  156   HD12  ILE  19          HD12      ILE  19  -3.236 -22.420  -2.322
  157   HD13  ILE  19          HD13      ILE  19  -1.618 -22.932  -1.834
  158    H    VAL  20           H        VAL  20  -5.007 -28.014  -0.457
  159    HA   VAL  20           HA       VAL  20  -2.536 -29.353  -0.611
  160    HB   VAL  20           HB       VAL  20  -3.754 -31.209   0.625
  161   HG11  VAL  20          HG11      VAL  20  -2.538 -29.406   1.730
  162   HG12  VAL  20          HG12      VAL  20  -3.988 -28.375   1.674
  163   HG13  VAL  20          HG13      VAL  20  -3.975 -29.859   2.661
  164   HG21  VAL  20          HG21      VAL  20  -6.076 -30.863  -0.203
  165   HG22  VAL  20          HG22      VAL  20  -5.969 -30.760   1.552
  166   HG23  VAL  20          HG23      VAL  20  -6.129 -29.276   0.602
  167    H    ASP  21           H        ASP  21  -5.549 -29.935  -2.375
  168    HA   ASP  21           HA       ASP  21  -4.672 -32.536  -3.393
  169    HB2  ASP  21           HB2      ASP  21  -6.974 -32.069  -2.542
  170    HB3  ASP  21           HB3      ASP  21  -7.215 -30.937  -3.872
  171    H    ALA  22           H        ALA  22  -3.763 -29.530  -4.325
  172    HA   ALA  22           HA       ALA  22  -4.007 -30.030  -7.260
  173    HB1  ALA  22           HB1      ALA  22  -5.687 -28.390  -6.602
  174    HB2  ALA  22           HB2      ALA  22  -4.488 -27.477  -5.662
  175    HB3  ALA  22           HB3      ALA  22  -4.360 -27.552  -7.429
  176    H    GLU  23           H        GLU  23  -2.199 -29.574  -8.435
  177    HA   GLU  23           HA       GLU  23   0.173 -28.403  -7.065
  178    HB2  GLU  23           HB2      GLU  23   1.529 -30.253  -7.846
  179    HB3  GLU  23           HB3      GLU  23   0.212 -30.838  -6.836
  180    HG2  GLU  23           HG2      GLU  23  -1.059 -31.522  -8.862
  181    HG3  GLU  23           HG3      GLU  23   0.240 -30.917  -9.890
  182    H    ASP  24           H        ASP  24  -1.877 -27.854  -9.520
  183    HA   ASP  24           HA       ASP  24   0.207 -26.691 -11.293
  184    HB2  ASP  24           HB2      ASP  24  -0.599 -28.789 -12.331
  185    HB3  ASP  24           HB3      ASP  24  -2.274 -28.262 -12.129
  186    H    LYS  25           H        LYS  25  -0.487 -24.703 -12.230
  187    HA   LYS  25           HA       LYS  25  -2.049 -23.103 -10.599
  188    HB2  LYS  25           HB2      LYS  25  -1.824 -21.363 -12.161
  189    HB3  LYS  25           HB3      LYS  25  -0.324 -22.268 -12.205
  190    HG2  LYS  25           HG2      LYS  25  -2.569 -22.523 -14.260
  191    HG3  LYS  25           HG3      LYS  25  -1.230 -21.406 -14.416
  192    HD2  LYS  25           HD2      LYS  25   0.369 -23.097 -14.785
  193    HD3  LYS  25           HD3      LYS  25  -0.652 -24.351 -14.098
  194    HE2  LYS  25           HE2      LYS  25  -2.242 -23.399 -16.150
  195    HE3  LYS  25           HE3      LYS  25  -0.634 -23.265 -16.857
  196    HZ1  LYS  25           HZ1      LYS  25  -1.524 -25.742 -15.506
  197    HZ2  LYS  25           HZ2      LYS  25  -1.959 -25.462 -17.047
  198    HZ3  LYS  25           HZ3      LYS  25  -0.351 -25.583 -16.644
  199    H    GLU  26           H        GLU  26  -3.260 -25.112 -13.306
  200    HA   GLU  26           HA       GLU  26  -5.779 -23.677 -13.521
  201    HB2  GLU  26           HB2      GLU  26  -4.812 -26.447 -14.375
  202    HB3  GLU  26           HB3      GLU  26  -6.441 -25.862 -14.695
  203    HG2  GLU  26           HG2      GLU  26  -5.598 -24.000 -16.029
  204    HG3  GLU  26           HG3      GLU  26  -3.943 -24.373 -15.583
  205    H    GLU  27           H        GLU  27  -4.593 -26.552 -11.753
  206    HA   GLU  27           HA       GLU  27  -7.165 -27.243 -10.631
  207    HB2  GLU  27           HB2      GLU  27  -4.334 -27.985  -9.767
  208    HB3  GLU  27           HB3      GLU  27  -5.816 -28.759  -9.203
  209    HG2  GLU  27           HG2      GLU  27  -4.784 -28.740 -12.074
  210    HG3  GLU  27           HG3      GLU  27  -4.649 -30.075 -10.938
  211    H    ARG  28           H        ARG  28  -4.353 -25.290  -9.555
  212    HA   ARG  28           HA       ARG  28  -5.488 -24.796  -6.933
  213    HB2  ARG  28           HB2      ARG  28  -3.224 -23.417  -8.452
  214    HB3  ARG  28           HB3      ARG  28  -3.713 -23.036  -6.785
  215    HG2  ARG  28           HG2      ARG  28  -3.447 -25.455  -6.207
  216    HG3  ARG  28           HG3      ARG  28  -2.726 -25.744  -7.789
  217    HD2  ARG  28           HD2      ARG  28  -0.798 -24.422  -7.243
  218    HD3  ARG  28           HD3      ARG  28  -1.607 -23.746  -5.811
  219    HE   ARG  28           HE       ARG  28  -1.351 -26.680  -5.874
  220   HH11  ARG  28          HH11      ARG  28   0.219 -23.739  -4.641
  221   HH12  ARG  28          HH12      ARG  28   0.597 -24.477  -3.098
  222   HH21  ARG  28          HH21      ARG  28  -0.865 -27.585  -3.938
  223   HH22  ARG  28          HH22      ARG  28   0.109 -26.733  -2.748
  224    H    ALA  29           H        ALA  29  -5.905 -23.204 -10.077
  225    HA   ALA  29           HA       ALA  29  -7.238 -20.880  -9.039
  226    HB1  ALA  29           HB1      ALA  29  -6.517 -21.069 -11.421
  227    HB2  ALA  29           HB2      ALA  29  -7.755 -22.320 -11.685
  228    HB3  ALA  29           HB3      ALA  29  -8.235 -20.677 -11.260
  229    H    MET  30           H        MET  30  -8.351 -24.240  -9.845
  230    HA   MET  30           HA       MET  30 -11.086 -23.709  -9.124
  231    HB2  MET  30           HB2      MET  30  -9.584 -26.345  -9.204
  232    HB3  MET  30           HB3      MET  30 -11.325 -26.154  -9.034
  233    HG2  MET  30           HG2      MET  30  -9.671 -25.264 -11.429
  234    HG3  MET  30           HG3      MET  30 -10.679 -26.694 -11.322
  235    HE1  MET  30           HE1      MET  30 -10.341 -23.072 -12.139
  236    HE2  MET  30           HE2      MET  30 -11.985 -22.462 -12.406
  237    HE3  MET  30           HE3      MET  30 -11.350 -22.562 -10.771
  238    H    GLY  31           H        GLY  31  -8.314 -24.927  -7.167
  239    HA2  GLY  31           HA2      GLY  31  -9.729 -25.417  -4.782
  240    HA3  GLY  31           HA3      GLY  31  -8.051 -24.850  -4.872
  241    H    TRP  32           H        TRP  32  -8.125 -22.344  -5.813
  242    HA   TRP  32           HA       TRP  32  -9.045 -20.674  -3.798
  243    HB2  TRP  32           HB2      TRP  32  -8.173 -20.288  -6.647
  244    HB3  TRP  32           HB3      TRP  32  -9.038 -18.974  -5.882
  245    HD1  TRP  32           HD1      TRP  32  -5.666 -20.646  -5.835
  246    HE1  TRP  32           HE1      TRP  32  -4.051 -19.232  -4.443
  247    HE3  TRP  32           HE3      TRP  32  -9.040 -17.439  -3.704
  248    HZ2  TRP  32           HZ2      TRP  32  -4.207 -17.007  -2.593
  249    HZ3  TRP  32           HZ3      TRP  32  -8.280 -15.719  -2.085
  250    HH2  TRP  32           HH2      TRP  32  -5.868 -15.474  -1.554
  251    H    TYR  33           H        TYR  33 -10.566 -21.334  -7.018
  252    HA   TYR  33           HA       TYR  33 -12.720 -19.610  -6.804
  253    HB2  TYR  33           HB2      TYR  33 -12.105 -20.745  -8.882
  254    HB3  TYR  33           HB3      TYR  33 -12.545 -22.309  -8.202
  255    HD1  TYR  33           HD1      TYR  33 -14.935 -22.938  -7.845
  256    HD2  TYR  33           HD2      TYR  33 -13.817 -19.171  -9.611
  257    HE1  TYR  33           HE1      TYR  33 -17.279 -22.569  -8.522
  258    HE2  TYR  33           HE2      TYR  33 -16.109 -18.890 -10.470
  259    HH   TYR  33           HH       TYR  33 -18.205 -19.769 -10.624
  260    H    TYR  34           H        TYR  34 -12.645 -23.107  -5.767
  261    HA   TYR  34           HA       TYR  34 -15.470 -22.995  -5.246
  262    HB2  TYR  34           HB2      TYR  34 -13.342 -25.077  -4.697
  263    HB3  TYR  34           HB3      TYR  34 -14.988 -25.252  -4.098
  264    HD1  TYR  34           HD2      TYR  34 -16.927 -24.794  -5.871
  265    HD2  TYR  34           HD1      TYR  34 -12.914 -26.029  -6.861
  266    HE1  TYR  34           HE2      TYR  34 -17.721 -25.577  -8.074
  267    HE2  TYR  34           HE1      TYR  34 -13.698 -26.805  -9.080
  268    HH   TYR  34           HH       TYR  34 -17.135 -26.554 -10.106
  269    H    TYR  35           H        TYR  35 -12.565 -22.710  -3.053
  270    HA   TYR  35           HA       TYR  35 -14.336 -22.617  -0.762
  271    HB2  TYR  35           HB2      TYR  35 -12.551 -22.530   0.522
  272    HB3  TYR  35           HB3      TYR  35 -11.662 -22.963  -0.920
  273    HD1  TYR  35           HD1      TYR  35 -10.337 -21.242  -2.111
  274    HD2  TYR  35           HD2      TYR  35 -12.435 -20.282   1.522
  275    HE1  TYR  35           HE1      TYR  35  -8.942 -19.223  -1.863
  276    HE2  TYR  35           HE2      TYR  35 -11.084 -18.235   1.776
  277    HH   TYR  35           HH       TYR  35  -9.393 -16.919   0.892
  278    H    LEU  36           H        LEU  36 -12.980 -20.118  -2.968
  279    HA   LEU  36           HA       LEU  36 -13.818 -17.882  -1.448
  280    HB2  LEU  36           HB2      LEU  36 -12.196 -17.704  -3.248
  281    HB3  LEU  36           HB3      LEU  36 -13.387 -18.246  -4.436
  282    HG   LEU  36           HG       LEU  36 -14.705 -16.203  -4.129
  283   HD11  LEU  36          HD11      LEU  36 -14.266 -15.638  -1.779
  284   HD12  LEU  36          HD12      LEU  36 -12.543 -15.367  -2.141
  285   HD13  LEU  36          HD13      LEU  36 -13.785 -14.292  -2.813
  286   HD21  LEU  36          HD21      LEU  36 -12.821 -16.320  -5.760
  287   HD22  LEU  36          HD22      LEU  36 -13.154 -14.685  -5.195
  288   HD23  LEU  36          HD23      LEU  36 -11.752 -15.575  -4.556
  289    H    ASP  37           H        ASP  37 -15.466 -19.510  -4.259
  290    HA   ASP  37           HA       ASP  37 -17.792 -17.911  -4.205
  291    HB2  ASP  37           HB2      ASP  37 -17.224 -19.403  -6.074
  292    HB3  ASP  37           HB3      ASP  37 -17.454 -20.816  -5.042
  293    H    ASP  38           H        ASP  38 -17.072 -20.980  -2.476
  294    HA   ASP  38           HA       ASP  38 -19.587 -21.212  -1.159
  295    HB2  ASP  38           HB2      ASP  38 -17.967 -23.040  -1.298
  296    HB3  ASP  38           HB3      ASP  38 -16.827 -22.140  -0.292
  297    H    THR  39           H        THR  39 -16.884 -19.051  -0.482
  298    HA   THR  39           HA       THR  39 -17.770 -18.527   2.285
  299    HB   THR  39           HB       THR  39 -15.479 -17.383   0.631
  300    HG1  THR  39           HG1      THR  39 -15.118 -19.479   1.070
  301   HG21  THR  39          HG21      THR  39 -14.613 -16.712   2.945
  302   HG22  THR  39          HG22      THR  39 -15.965 -15.756   2.320
  303   HG23  THR  39          HG23      THR  39 -16.262 -16.995   3.547
  304    H    LEU  40           H        LEU  40 -17.767 -16.964  -0.944
  305    HA   LEU  40           HA       LEU  40 -18.393 -14.346  -0.136
  306    HB2  LEU  40           HB2      LEU  40 -19.137 -15.862  -2.658
  307    HB3  LEU  40           HB3      LEU  40 -19.487 -14.152  -2.433
  308    HG   LEU  40           HG       LEU  40 -16.707 -15.358  -2.484
  309   HD11  LEU  40          HD11      LEU  40 -16.509 -14.346  -4.693
  310   HD12  LEU  40          HD12      LEU  40 -17.900 -15.439  -4.656
  311   HD13  LEU  40          HD13      LEU  40 -18.156 -13.687  -4.571
  312   HD21  LEU  40          HD21      LEU  40 -15.964 -12.982  -2.789
  313   HD22  LEU  40          HD22      LEU  40 -17.578 -12.488  -2.237
  314   HD23  LEU  40          HD23      LEU  40 -16.485 -13.435  -1.173
  315    H    GLU  41           H        GLU  41 -20.037 -13.594   0.986
  316    HA   GLU  41           HA       GLU  41 -22.637 -14.823   1.156
  317    HB2  GLU  41           HB2      GLU  41 -21.420 -13.635   2.989
  318    HB3  GLU  41           HB3      GLU  41 -21.528 -12.129   2.069
  319    HG2  GLU  41           HG2      GLU  41 -23.141 -12.118   3.786
  320    HG3  GLU  41           HG3      GLU  41 -23.990 -12.234   2.253
  321    H    PHE  42           H        PHE  42 -22.304 -14.670  -1.431
  322    HA   PHE  42           HA       PHE  42 -23.027 -12.155  -2.642
  323    HB2  PHE  42           HB2      PHE  42 -23.085 -13.334  -4.722
  324    HB3  PHE  42           HB3      PHE  42 -21.678 -13.831  -3.821
  325    HD1  PHE  42           HD1      PHE  42 -25.101 -14.878  -4.912
  326    HD2  PHE  42           HD2      PHE  42 -21.313 -16.171  -3.296
  327    HE1  PHE  42           HE1      PHE  42 -25.753 -17.242  -5.257
  328    HE2  PHE  42           HE2      PHE  42 -21.970 -18.525  -3.644
  329    HZ   PHE  42           HZ       PHE  42 -24.193 -19.075  -4.620
  330    HA   PRO  43           HA       PRO  43 -24.255 -11.433  -4.546
  331    HB2  PRO  43           HB2      PRO  43 -26.213  -9.582  -4.905
  332    HB3  PRO  43           HB3      PRO  43 -26.243 -11.180  -5.713
  333    HG2  PRO  43           HG2      PRO  43 -27.693 -10.358  -3.181
  334    HG3  PRO  43           HG3      PRO  43 -28.354 -11.216  -4.609
  335    HD2  PRO  43           HD2      PRO  43 -27.520 -12.535  -2.354
  336    HD3  PRO  43           HD3      PRO  43 -27.326 -13.241  -3.984
  337    H    PHE  44           H        PHE  44 -23.365  -9.307  -4.233
  338    HA   PHE  44           HA       PHE  44 -23.865  -7.892  -1.703
  339    HB2  PHE  44           HB2      PHE  44 -21.595  -7.881  -0.989
  340    HB3  PHE  44           HB3      PHE  44 -22.142  -9.536  -1.101
  341    HD1  PHE  44           HD1      PHE  44 -21.319 -10.999  -3.043
  342    HD2  PHE  44           HD2      PHE  44 -19.622  -7.152  -2.121
  343    HE1  PHE  44           HE1      PHE  44 -19.265 -11.612  -4.279
  344    HE2  PHE  44           HE2      PHE  44 -17.595  -7.740  -3.413
  345    HZ   PHE  44           HZ       PHE  44 -17.397  -9.981  -4.475
  346    H    MET  45           H        MET  45 -21.850  -5.946  -1.936
  347    HA   MET  45           HA       MET  45 -22.069  -5.013  -4.739
  348    HB2  MET  45           HB2      MET  45 -22.881  -2.923  -4.241
  349    HB3  MET  45           HB3      MET  45 -23.908  -3.990  -3.314
  350    HG2  MET  45           HG2      MET  45 -23.137  -3.210  -1.288
  351    HG3  MET  45           HG3      MET  45 -21.522  -2.861  -1.877
  352    HE1  MET  45           HE1      MET  45 -20.729  -0.813  -3.184
  353    HE2  MET  45           HE2      MET  45 -21.953  -0.896  -4.461
  354    HE3  MET  45           HE3      MET  45 -21.726   0.604  -3.542
  355    H    GLY  46           H        GLY  46 -20.653  -3.230  -5.256
  356    HA2  GLY  46           HA2      GLY  46 -18.262  -2.856  -3.553
  357    HA3  GLY  46           HA3      GLY  46 -18.046  -3.881  -4.985
  358    H    LYS  47           H        LYS  47 -16.465  -1.935  -4.998
  359    HA   LYS  47           HA       LYS  47 -17.608  -0.068  -7.043
  360    HB2  LYS  47           HB2      LYS  47 -16.658   0.954  -4.825
  361    HB3  LYS  47           HB3      LYS  47 -15.085   0.426  -5.405
  362    HG2  LYS  47           HG2      LYS  47 -15.210   2.650  -6.158
  363    HG3  LYS  47           HG3      LYS  47 -15.677   1.728  -7.588
  364    HD2  LYS  47           HD2      LYS  47 -17.246   3.489  -7.463
  365    HD3  LYS  47           HD3      LYS  47 -18.111   2.074  -6.869
  366    HE2  LYS  47           HE2      LYS  47 -17.867   2.803  -4.568
  367    HE3  LYS  47           HE3      LYS  47 -16.761   4.101  -5.044
  368    HZ1  LYS  47           HZ1      LYS  47 -18.545   5.220  -6.142
  369    HZ2  LYS  47           HZ2      LYS  47 -19.585   3.981  -5.955
  370    HZ3  LYS  47           HZ3      LYS  47 -19.080   4.843  -4.650
  371    H    TRP  48           H        TRP  48 -16.928  -0.617  -9.033
  372    HA   TRP  48           HA       TRP  48 -14.577  -2.371  -9.402
  373    HB2  TRP  48           HB2      TRP  48 -16.664  -2.604 -10.795
  374    HB3  TRP  48           HB3      TRP  48 -16.329  -1.029 -11.490
  375    HD1  TRP  48           HD1      TRP  48 -13.001  -2.244 -11.428
  376    HE1  TRP  48           HE1      TRP  48 -12.277  -3.509 -13.456
  377    HE3  TRP  48           HE3      TRP  48 -17.630  -3.178 -13.448
  378    HZ2  TRP  48           HZ2      TRP  48 -13.519  -4.933 -15.655
  379    HZ3  TRP  48           HZ3      TRP  48 -17.798  -4.534 -15.524
  380    HH2  TRP  48           HH2      TRP  48 -15.754  -5.421 -16.620
  381    H    LYS  49           H        LYS  49 -12.714  -1.371  -9.028
  382    HA   LYS  49           HA       LYS  49 -12.304   1.509  -9.409
  383    HB2  LYS  49           HB2      LYS  49 -10.339  -0.708  -8.638
  384    HB3  LYS  49           HB3      LYS  49 -10.112   1.017  -8.389
  385    HG2  LYS  49           HG2      LYS  49 -12.181  -0.753  -6.988
  386    HG3  LYS  49           HG3      LYS  49 -10.632  -0.290  -6.327
  387    HD2  LYS  49           HD2      LYS  49 -12.813   1.719  -7.040
  388    HD3  LYS  49           HD3      LYS  49 -12.575   0.989  -5.442
  389    HE2  LYS  49           HE2      LYS  49 -10.116   1.803  -5.633
  390    HE3  LYS  49           HE3      LYS  49 -10.688   2.846  -6.941
  391    HZ1  LYS  49           HZ1      LYS  49 -11.768   2.886  -4.175
  392    HZ2  LYS  49           HZ2      LYS  49 -10.647   3.918  -4.743
  393    HZ3  LYS  49           HZ3      LYS  49 -12.143   3.953  -5.378
  394    H    LYS  50           H        LYS  50 -12.974   0.905 -11.817
  395    HA   LYS  50           HA       LYS  50 -11.287  -0.828 -13.365
  396    HB2  LYS  50           HB2      LYS  50 -13.652  -0.301 -13.902
  397    HB3  LYS  50           HB3      LYS  50 -13.202   1.366 -14.291
  398    HG2  LYS  50           HG2      LYS  50 -11.786   0.611 -16.137
  399    HG3  LYS  50           HG3      LYS  50 -12.038  -1.084 -15.702
  400    HD2  LYS  50           HD2      LYS  50 -14.246   0.815 -16.617
  401    HD3  LYS  50           HD3      LYS  50 -13.360  -0.296 -17.674
  402    HE2  LYS  50           HE2      LYS  50 -14.108  -2.214 -16.236
  403    HE3  LYS  50           HE3      LYS  50 -15.097  -1.097 -15.292
  404    HZ1  LYS  50           HZ1      LYS  50 -16.397  -2.199 -16.987
  405    HZ2  LYS  50           HZ2      LYS  50 -16.337  -0.603 -17.337
  406    HZ3  LYS  50           HZ3      LYS  50 -15.427  -1.665 -18.183
  407    H    LYS  51           H        LYS  51  -9.390  -0.399 -14.489
  408    HA   LYS  51           HA       LYS  51  -8.117   2.172 -14.015
  409    HB2  LYS  51           HB2      LYS  51  -7.032  -0.165 -13.924
  410    HB3  LYS  51           HB3      LYS  51  -6.961  -0.076 -15.690
  411    HG2  LYS  51           HG2      LYS  51  -5.664   2.087 -15.459
  412    HG3  LYS  51           HG3      LYS  51  -5.760   1.918 -13.695
  413    HD2  LYS  51           HD2      LYS  51  -4.532  -0.239 -13.840
  414    HD3  LYS  51           HD3      LYS  51  -4.419  -0.052 -15.605
  415    HE2  LYS  51           HE2      LYS  51  -3.154   2.062 -15.302
  416    HE3  LYS  51           HE3      LYS  51  -3.292   1.903 -13.546
  417    HZ1  LYS  51           HZ1      LYS  51  -1.851   0.009 -15.315
  418    HZ2  LYS  51           HZ2      LYS  51  -1.156   1.110 -14.337
  419    HZ3  LYS  51           HZ3      LYS  51  -1.982  -0.134 -13.691
  420    H    SER  52           H        SER  52 -10.235   2.893 -15.320
  421    HA   SER  52           HA       SER  52 -11.235   3.731 -17.171
  422    HB2  SER  52           HB2      SER  52  -8.448   4.858 -17.551
  423    HB3  SER  52           HB3      SER  52  -9.984   5.578 -18.102
  424    HG   SER  52           HG       SER  52  -9.015   5.126 -15.489
  425    H    ARG  53           H        ARG  53  -8.489   3.891 -19.319
  426    HA   ARG  53           HA       ARG  53  -9.356   1.423 -20.745
  427    HB2  ARG  53           HB2      ARG  53  -8.773   4.126 -22.054
  428    HB3  ARG  53           HB3      ARG  53  -9.101   2.605 -22.874
  429    HG2  ARG  53           HG2      ARG  53 -11.162   3.517 -23.042
  430    HG3  ARG  53           HG3      ARG  53 -11.373   2.655 -21.516
  431    HD2  ARG  53           HD2      ARG  53 -10.842   4.831 -20.318
  432    HD3  ARG  53           HD3      ARG  53 -10.742   5.620 -21.901
  433    HE   ARG  53           HE       ARG  53 -13.226   4.261 -21.703
  434   HH11  ARG  53          HH21      ARG  53 -11.605   7.113 -20.335
  435   HH12  ARG  53          HH22      ARG  53 -13.069   7.942 -19.967
  436   HH21  ARG  53          HH12      ARG  53 -15.178   5.378 -21.229
  437   HH22  ARG  53          HH11      ARG  53 -15.143   6.937 -20.500
  438    H    LYS  54           H        LYS  54  -7.312   1.586 -18.856
  439    HA   LYS  54           HA       LYS  54  -5.133   1.335 -18.435
  440    HB2  LYS  54           HB2      LYS  54  -4.821   0.449 -21.332
  441    HB3  LYS  54           HB3      LYS  54  -3.640   0.247 -20.036
  442    HG2  LYS  54           HG2      LYS  54  -5.266  -1.156 -18.770
  443    HG3  LYS  54           HG3      LYS  54  -6.422  -0.996 -20.108
  444    HD2  LYS  54           HD2      LYS  54  -4.775  -2.075 -21.648
  445    HD3  LYS  54           HD3      LYS  54  -3.633  -2.212 -20.308
  446    HE2  LYS  54           HE2      LYS  54  -4.659  -4.349 -20.574
  447    HE3  LYS  54           HE3      LYS  54  -5.264  -3.648 -19.073
  448    HZ1  LYS  54           HZ1      LYS  54  -7.022  -4.668 -20.388
  449    HZ2  LYS  54           HZ2      LYS  54  -7.311  -3.071 -20.254
  450    HZ3  LYS  54           HZ3      LYS  54  -6.729  -3.691 -21.654
  451    H    THR  55           H        THR  55  -5.959   3.789 -18.625
  452    HA   THR  55           HA       THR  55  -3.984   5.357 -20.185
  453    HB   THR  55           HB       THR  55  -6.017   7.058 -19.993
  454    HG1  THR  55           HG1      THR  55  -7.943   6.141 -19.811
  455   HG21  THR  55          HG21      THR  55  -5.157   6.208 -22.109
  456   HG22  THR  55          HG22      THR  55  -6.020   4.676 -21.882
  457   HG23  THR  55          HG23      THR  55  -6.928   6.185 -22.115
  458    H    SER  56           H        SER  56  -3.438   4.316 -17.577
  459    HA   SER  56           HA       SER  56  -2.699   4.896 -15.525
  460    HB2  SER  56           HB2      SER  56  -2.019   7.490 -16.952
  461    HB3  SER  56           HB3      SER  56  -1.186   6.789 -15.554
  462    HG   SER  56           HG       SER  56  -0.121   6.339 -17.539
  463    H    THR  57           H        THR  57  -5.522   5.361 -15.755
  464    HA   THR  57           HA       THR  57  -5.992   7.410 -13.688
  465    HB   THR  57           HB       THR  57  -7.516   7.234 -16.324
  466    HG1  THR  57           HG1      THR  57  -5.568   8.146 -16.759
  467   HG21  THR  57          HG21      THR  57  -7.707   9.223 -14.015
  468   HG22  THR  57          HG22      THR  57  -8.493   9.431 -15.597
  469   HG23  THR  57          HG23      THR  57  -8.962   8.086 -14.559
  470    H    ILE  58           H        ILE  58  -8.063   6.922 -12.576
  471    HA   ILE  58           HA       ILE  58  -9.116   4.192 -13.129
  472    HB   ILE  58           HB       ILE  58  -8.352   5.425 -10.472
  473   HG12  ILE  58          HG12      ILE  58  -7.526   2.957 -12.056
  474   HG13  ILE  58          HG13      ILE  58  -6.531   4.347 -11.627
  475   HG21  ILE  58          HG21      ILE  58  -9.373   3.469  -9.359
  476   HG22  ILE  58          HG22      ILE  58 -10.589   4.413 -10.191
  477   HG23  ILE  58          HG23      ILE  58 -10.002   2.908 -10.927
  478   HD11  ILE  58          HD11      ILE  58  -6.710   3.639  -9.215
  479   HD12  ILE  58          HD12      ILE  58  -7.546   2.163  -9.777
  480   HD13  ILE  58          HD13      ILE  58  -5.882   2.479 -10.285
  481    H    GLU  59           H        GLU  59 -11.225   3.936 -12.954
  482    HA   GLU  59           HA       GLU  59 -13.005   6.267 -12.462
  483    HB2  GLU  59           HB2      GLU  59 -13.169   3.980 -14.481
  484    HB3  GLU  59           HB3      GLU  59 -14.597   4.878 -13.974
  485    HG2  GLU  59           HG2      GLU  59 -12.151   6.218 -15.203
  486    HG3  GLU  59           HG3      GLU  59 -13.513   5.625 -16.143
  487    H    GLU  60           H        GLU  60 -14.908   5.642 -11.284
  488    HA   GLU  60           HA       GLU  60 -14.531   3.176  -9.640
  489    HB2  GLU  60           HB2      GLU  60 -15.192   6.015  -8.744
  490    HB3  GLU  60           HB3      GLU  60 -15.200   4.581  -7.711
  491    HG2  GLU  60           HG2      GLU  60 -12.772   4.228  -8.240
  492    HG3  GLU  60           HG3      GLU  60 -12.773   5.740  -9.155
  493    H    LYS  61           H        LYS  61 -16.079   2.020 -10.743
  494    HA   LYS  61           HA       LYS  61 -18.758   3.261 -11.187
  495    HB2  LYS  61           HB2      LYS  61 -17.695   2.195 -13.104
  496    HB3  LYS  61           HB3      LYS  61 -17.477   0.693 -12.201
  497    HG2  LYS  61           HG2      LYS  61 -19.891   0.365 -12.051
  498    HG3  LYS  61           HG3      LYS  61 -20.195   1.916 -12.821
  499    HD2  LYS  61           HD2      LYS  61 -18.571  -0.286 -14.176
  500    HD3  LYS  61           HD3      LYS  61 -20.318  -0.285 -14.251
  501    HE2  LYS  61           HE2      LYS  61 -18.516   1.964 -15.252
  502    HE3  LYS  61           HE3      LYS  61 -19.289   0.733 -16.256
  503    HZ1  LYS  61           HZ1      LYS  61 -20.750   2.734 -14.637
  504    HZ2  LYS  61           HZ2      LYS  61 -20.558   2.783 -16.264
  505    HZ3  LYS  61           HZ3      LYS  61 -21.458   1.602 -15.564
  506    H    THR  62           H        THR  62 -20.226   2.971  -9.536
  507    HA   THR  62           HA       THR  62 -19.854   0.985  -7.492
  508    HB   THR  62           HB       THR  62 -22.400   2.508  -8.188
  509    HG1  THR  62           HG1      THR  62 -21.538   4.255  -7.340
  510   HG21  THR  62          HG21      THR  62 -21.193   1.601  -5.531
  511   HG22  THR  62          HG22      THR  62 -22.735   2.464  -5.737
  512   HG23  THR  62          HG23      THR  62 -22.557   0.814  -6.355
  513    H    VAL  63           H        VAL  63 -20.593  -1.071  -7.402
  514    HA   VAL  63           HA       VAL  63 -22.408  -2.047  -9.571
  515    HB   VAL  63           HB       VAL  63 -20.894  -3.958  -9.821
  516   HG11  VAL  63          HG11      VAL  63 -20.933  -2.107 -11.477
  517   HG12  VAL  63          HG12      VAL  63 -19.552  -1.368 -10.637
  518   HG13  VAL  63          HG13      VAL  63 -19.379  -2.950 -11.413
  519   HG21  VAL  63          HG21      VAL  63 -19.507  -3.759  -7.775
  520   HG22  VAL  63          HG22      VAL  63 -18.526  -3.854  -9.241
  521   HG23  VAL  63          HG23      VAL  63 -18.760  -2.289  -8.441
  522    H    GLU  64           H        GLU  64 -23.377  -4.052  -9.233
  523    HA   GLU  64           HA       GLU  64 -23.486  -5.030  -6.408
  524    HB2  GLU  64           HB2      GLU  64 -25.660  -4.269  -7.246
  525    HB3  GLU  64           HB3      GLU  64 -25.495  -5.274  -8.691
  526    HG2  GLU  64           HG2      GLU  64 -25.558  -7.312  -7.306
  527    HG3  GLU  64           HG3      GLU  64 -25.569  -6.334  -5.835
  528    H    VAL  65           H        VAL  65 -22.675  -7.086  -6.157
  529    HA   VAL  65           HA       VAL  65 -21.515  -8.400  -8.574
  530    HB   VAL  65           HB       VAL  65 -20.602  -8.632  -5.680
  531   HG11  VAL  65          HG11      VAL  65 -19.957 -10.513  -7.156
  532   HG12  VAL  65          HG12      VAL  65 -19.325  -9.362  -8.357
  533   HG13  VAL  65          HG13      VAL  65 -18.538  -9.528  -6.774
  534   HG21  VAL  65          HG21      VAL  65 -19.504  -6.831  -7.890
  535   HG22  VAL  65          HG22      VAL  65 -20.230  -6.298  -6.356
  536   HG23  VAL  65          HG23      VAL  65 -18.696  -7.164  -6.342
  537    H    LEU  66           H        LEU  66 -22.680 -10.101  -9.201
  538    HA   LEU  66           HA       LEU  66 -24.887 -11.000  -7.540
  539    HB2  LEU  66           HB2      LEU  66 -23.918 -11.876 -10.297
  540    HB3  LEU  66           HB3      LEU  66 -25.335 -12.522  -9.505
  541    HG   LEU  66           HG       LEU  66 -26.101 -10.995 -11.088
  542   HD11  LEU  66          HD11      LEU  66 -27.268 -10.922  -8.888
  543   HD12  LEU  66          HD12      LEU  66 -26.294  -9.500  -8.443
  544   HD13  LEU  66          HD13      LEU  66 -27.411  -9.419  -9.814
  545   HD21  LEU  66          HD21      LEU  66 -24.417  -8.746  -9.927
  546   HD22  LEU  66          HD22      LEU  66 -24.022  -9.674 -11.398
  547   HD23  LEU  66          HD23      LEU  66 -25.493  -8.700 -11.328
  548    H    GLY  67           H        GLY  67 -21.676 -12.271  -8.319
  549    HA2  GLY  67           HA2      GLY  67 -21.300 -14.121  -6.393
  550    HA3  GLY  67           HA3      GLY  67 -22.276 -15.002  -7.594
  551    H    MET  68           H        MET  68 -19.929 -16.062  -7.440
  552    HA   MET  68           HA       MET  68 -17.891 -14.898  -9.152
  553    HB2  MET  68           HB2      MET  68 -18.355 -17.790  -8.332
  554    HB3  MET  68           HB3      MET  68 -17.009 -17.184  -9.292
  555    HG2  MET  68           HG2      MET  68 -16.811 -15.458  -7.222
  556    HG3  MET  68           HG3      MET  68 -17.577 -16.808  -6.387
  557    HE1  MET  68           HE1      MET  68 -13.402 -16.801  -8.379
  558    HE2  MET  68           HE2      MET  68 -14.873 -16.712  -9.353
  559    HE3  MET  68           HE3      MET  68 -14.476 -15.392  -8.230
  560    H    ALA  69           H        ALA  69 -17.368 -15.517 -11.262
  561    HA   ALA  69           HA       ALA  69 -19.582 -15.976 -13.105
  562    HB1  ALA  69           HB1      ALA  69 -17.848 -15.733 -14.789
  563    HB2  ALA  69           HB2      ALA  69 -17.496 -14.556 -13.528
  564    HB3  ALA  69           HB3      ALA  69 -16.583 -16.087 -13.604
  565    HA   PRO  70           HA       PRO  70 -19.305 -20.445 -13.518
  566    HB2  PRO  70           HB2      PRO  70 -18.081 -20.108 -16.264
  567    HB3  PRO  70           HB3      PRO  70 -19.390 -21.217 -15.745
  568    HG2  PRO  70           HG2      PRO  70 -20.005 -18.931 -17.056
  569    HG3  PRO  70           HG3      PRO  70 -20.964 -19.411 -15.615
  570    HD2  PRO  70           HD2      PRO  70 -18.702 -17.419 -15.796
  571    HD3  PRO  70           HD3      PRO  70 -20.275 -17.249 -14.953
  572    H    ASP  71           H        ASP  71 -17.803 -22.040 -13.013
  573    HA   ASP  71           HA       ASP  71 -15.167 -21.357 -12.296
  574    HB2  ASP  71           HB2      ASP  71 -14.831 -23.615 -11.784
  575    HB3  ASP  71           HB3      ASP  71 -16.532 -23.330 -11.458
  576    H    ASP  72           H        ASP  72 -16.498 -22.503 -15.372
  577    HA   ASP  72           HA       ASP  72 -14.095 -23.284 -16.643
  578    HB2  ASP  72           HB2      ASP  72 -16.343 -23.810 -17.488
  579    HB3  ASP  72           HB3      ASP  72 -16.629 -22.100 -17.832
  580    H    GLU  73           H        GLU  73 -15.447 -20.046 -16.066
  581    HA   GLU  73           HA       GLU  73 -13.553 -18.696 -17.882
  582    HB2  GLU  73           HB2      GLU  73 -15.350 -17.621 -15.650
  583    HB3  GLU  73           HB3      GLU  73 -14.385 -16.639 -16.737
  584    HG2  GLU  73           HG2      GLU  73 -16.700 -18.444 -17.564
  585    HG3  GLU  73           HG3      GLU  73 -16.768 -16.700 -17.368
  586    H    CYS  74           H        CYS  74 -13.987 -19.456 -14.439
  587    HA   CYS  74           HA       CYS  74 -11.779 -17.841 -13.600
  588    HB2  CYS  74           HB2      CYS  74 -13.455 -19.825 -12.024
  589    HB3  CYS  74           HB3      CYS  74 -12.392 -18.569 -11.359
  590    HG   CYS  74           HG       CYS  74 -15.163 -18.305 -13.149
  591    H    LEU  75           H        LEU  75 -11.060 -20.110 -15.356
  592    HA   LEU  75           HA       LEU  75  -9.452 -21.962 -13.798
  593    HB2  LEU  75           HB2      LEU  75 -10.113 -21.494 -16.662
  594    HB3  LEU  75           HB3      LEU  75  -8.434 -21.882 -16.432
  595    HG   LEU  75           HG       LEU  75  -9.593 -23.876 -16.933
  596   HD11  LEU  75          HD11      LEU  75  -8.901 -25.329 -15.180
  597   HD12  LEU  75          HD12      LEU  75  -7.774 -23.960 -15.194
  598   HD13  LEU  75          HD13      LEU  75  -9.029 -24.069 -13.945
  599   HD21  LEU  75          HD21      LEU  75 -11.852 -23.235 -16.224
  600   HD22  LEU  75          HD22      LEU  75 -11.398 -24.826 -15.591
  601   HD23  LEU  75          HD23      LEU  75 -11.385 -23.407 -14.525
  602    H    LYS  76           H        LYS  76  -9.120 -18.683 -14.457
  603    HA   LYS  76           HA       LYS  76  -6.155 -18.766 -14.210
  604    HB2  LYS  76           HB2      LYS  76  -5.935 -17.197 -16.030
  605    HB3  LYS  76           HB3      LYS  76  -6.830 -18.607 -16.585
  606    HG2  LYS  76           HG2      LYS  76  -8.983 -17.176 -16.097
  607    HG3  LYS  76           HG3      LYS  76  -7.871 -15.814 -15.969
  608    HD2  LYS  76           HD2      LYS  76  -8.621 -15.730 -18.198
  609    HD3  LYS  76           HD3      LYS  76  -7.020 -16.451 -18.298
  610    HE2  LYS  76           HE2      LYS  76  -8.356 -17.750 -19.744
  611    HE3  LYS  76           HE3      LYS  76  -8.172 -18.748 -18.304
  612    HZ1  LYS  76           HZ1      LYS  76 -10.548 -17.103 -18.991
  613    HZ2  LYS  76           HZ2      LYS  76 -10.451 -18.722 -19.099
  614    HZ3  LYS  76           HZ3      LYS  76 -10.437 -18.010 -17.628
  615    H    ASP  77           H        ASP  77  -9.202 -16.993 -13.578
  616    HA   ASP  77           HA       ASP  77  -7.820 -15.259 -11.630
  617    HB2  ASP  77           HB2      ASP  77  -7.564 -14.018 -13.744
  618    HB3  ASP  77           HB3      ASP  77  -9.271 -14.241 -14.115
  619    H    MET  78           H        MET  78  -9.434 -14.297 -10.189
  620    HA   MET  78           HA       MET  78 -11.830 -15.974  -9.960
  621    HB2  MET  78           HB2      MET  78 -10.722 -13.744  -8.210
  622    HB3  MET  78           HB3      MET  78 -12.130 -14.727  -7.825
  623    HG2  MET  78           HG2      MET  78  -9.273 -15.736  -8.143
  624    HG3  MET  78           HG3      MET  78 -10.135 -15.477  -6.640
  625    HE1  MET  78           HE1      MET  78  -8.906 -18.035  -9.026
  626    HE2  MET  78           HE2      MET  78 -10.198 -19.236  -9.226
  627    HE3  MET  78           HE3      MET  78 -10.320 -17.674 -10.044
  628    H    TYR  79           H        TYR  79 -12.927 -15.288 -11.923
  629    HA   TYR  79           HA       TYR  79 -13.718 -12.504 -12.225
  630    HB2  TYR  79           HB2      TYR  79 -14.608 -15.065 -13.594
  631    HB3  TYR  79           HB3      TYR  79 -15.205 -13.474 -14.013
  632    HD1  TYR  79           HD2      TYR  79 -13.579 -11.710 -14.878
  633    HD2  TYR  79           HD1      TYR  79 -12.580 -15.890 -14.528
  634    HE1  TYR  79           HE2      TYR  79 -11.782 -11.410 -16.546
  635    HE2  TYR  79           HE1      TYR  79 -10.772 -15.603 -16.189
  636    HH   TYR  79           HH       TYR  79 -10.050 -12.444 -17.742
  637    H    VAL  80           H        VAL  80 -15.796 -11.645 -11.928
  638    HA   VAL  80           HA       VAL  80 -17.846 -13.313 -10.548
  639    HB   VAL  80           HB       VAL  80 -18.350 -11.267  -9.206
  640   HG11  VAL  80          HG11      VAL  80 -17.171 -13.120  -8.167
  641   HG12  VAL  80          HG12      VAL  80 -15.608 -12.505  -8.744
  642   HG13  VAL  80          HG13      VAL  80 -16.554 -11.594  -7.548
  643   HG21  VAL  80          HG21      VAL  80 -17.134  -9.560 -10.564
  644   HG22  VAL  80          HG22      VAL  80 -16.662  -9.537  -8.862
  645   HG23  VAL  80          HG23      VAL  80 -15.589 -10.279 -10.060
  646    H    GLU  81           H        GLU  81 -20.000 -12.770 -10.977
  647    HA   GLU  81           HA       GLU  81 -20.489 -11.289 -13.508
  648    HB2  GLU  81           HB2      GLU  81 -22.282 -12.857 -11.601
  649    HB3  GLU  81           HB3      GLU  81 -22.888 -11.903 -12.968
  650    HG2  GLU  81           HG2      GLU  81 -21.441 -13.261 -14.505
  651    HG3  GLU  81           HG3      GLU  81 -20.978 -14.268 -13.134
  652    H    VAL  82           H        VAL  82 -21.408  -9.229 -13.514
  653    HA   VAL  82           HA       VAL  82 -21.855  -7.943 -10.891
  654    HB   VAL  82           HB       VAL  82 -19.438  -7.919 -11.468
  655   HG11  VAL  82          HG11      VAL  82 -20.237  -6.308 -13.933
  656   HG12  VAL  82          HG12      VAL  82 -18.606  -6.521 -13.325
  657   HG13  VAL  82          HG13      VAL  82 -19.496  -7.925 -13.917
  658   HG21  VAL  82          HG21      VAL  82 -19.037  -5.562 -11.153
  659   HG22  VAL  82          HG22      VAL  82 -20.700  -5.187 -11.660
  660   HG23  VAL  82          HG23      VAL  82 -20.399  -6.114 -10.162
  661    H    ALA  83           H        ALA  83 -23.308  -6.261 -10.971
  662    HA   ALA  83           HA       ALA  83 -24.445  -5.516 -13.635
  663    HB1  ALA  83           HB1      ALA  83 -25.833  -5.792 -10.943
  664    HB2  ALA  83           HB2      ALA  83 -26.560  -5.070 -12.395
  665    HB3  ALA  83           HB3      ALA  83 -26.097  -6.777 -12.405
  666    H    ASP  84           H        ASP  84 -24.655  -3.395 -14.082
  667    HA   ASP  84           HA       ASP  84 -22.911  -1.617 -12.551
  668    HB2  ASP  84           HB2      ASP  84 -22.652  -1.852 -14.954
  669    HB3  ASP  84           HB3      ASP  84 -24.334  -1.361 -15.209
  670    H    ILE  85           H        ILE  85 -24.576  -1.725 -10.741
  671    HA   ILE  85           HA       ILE  85 -26.981  -0.208 -10.923
  672    HB   ILE  85           HB       ILE  85 -26.937  -0.070  -8.514
  673   HG12  ILE  85          HG12      ILE  85 -24.137  -1.220  -8.610
  674   HG13  ILE  85          HG13      ILE  85 -24.534   0.437  -8.166
  675   HG21  ILE  85          HG21      ILE  85 -27.583  -2.175  -9.737
  676   HG22  ILE  85          HG22      ILE  85 -25.964  -2.821  -9.400
  677   HG23  ILE  85          HG23      ILE  85 -27.079  -2.436  -8.071
  678   HD11  ILE  85          HD11      ILE  85 -24.125  -0.872  -6.161
  679   HD12  ILE  85          HD12      ILE  85 -25.837  -0.405  -6.218
  680   HD13  ILE  85          HD13      ILE  85 -25.335  -2.064  -6.623
  681    H    GLY  86           H        GLY  86 -23.720   0.901 -11.088
  682    HA2  GLY  86           HA2      GLY  86 -24.274   3.656 -10.285
  683    HA3  GLY  86           HA3      GLY  86 -22.782   2.980 -10.958
  684    H    GLY  87           H        GLY  87 -24.967   1.824 -13.124
  685    HA2  GLY  87           HA2      GLY  87 -25.292   4.290 -14.748
  686    HA3  GLY  87           HA3      GLY  87 -24.192   3.030 -15.318
  687    H    LYS  88           H        LYS  88 -25.058   0.986 -16.002
  688    HA   LYS  88           HA       LYS  88 -27.460   1.237 -17.461
  689    HB2  LYS  88           HB2      LYS  88 -26.176  -1.372 -16.546
  690    HB3  LYS  88           HB3      LYS  88 -27.340  -1.198 -17.843
  691    HG2  LYS  88           HG2      LYS  88 -24.538  -0.004 -17.842
  692    HG3  LYS  88           HG3      LYS  88 -25.007  -1.502 -18.624
  693    HD2  LYS  88           HD2      LYS  88 -26.156   1.225 -19.328
  694    HD3  LYS  88           HD3      LYS  88 -24.810   0.477 -20.164
  695    HE2  LYS  88           HE2      LYS  88 -27.581  -0.801 -19.970
  696    HE3  LYS  88           HE3      LYS  88 -27.070   0.265 -21.276
  697    HZ1  LYS  88           HZ1      LYS  88 -26.732  -1.924 -22.002
  698    HZ2  LYS  88           HZ2      LYS  88 -25.242  -1.336 -21.718
  699    HZ3  LYS  88           HZ3      LYS  88 -25.927  -2.415 -20.683
  700    H    ASP  89           H        ASP  89 -26.965  -0.138 -14.273
  701    HA   ASP  89           HA       ASP  89 -28.156  -0.915 -12.628
  702    HB2  ASP  89           HB2      ASP  89 -29.060   1.352 -12.672
  703    HB3  ASP  89           HB3      ASP  89 -30.353   0.834 -13.758
  704    H    ASP  90           H        ASP  90 -29.684  -1.500 -15.690
  705    HA   ASP  90           HA       ASP  90 -31.185  -3.840 -14.612
  706    HB2  ASP  90           HB2      ASP  90 -32.438  -1.852 -15.501
  707    HB3  ASP  90           HB3      ASP  90 -31.630  -2.104 -17.053
  708    H    ASP  91           H        ASP  91 -28.314  -3.491 -15.758
  709    HA   ASP  91           HA       ASP  91 -28.410  -5.773 -17.661
  710    HB2  ASP  91           HB2      ASP  91 -28.164  -3.492 -18.850
  711    HB3  ASP  91           HB3      ASP  91 -26.565  -3.438 -18.073
  712    H    VAL  92           H        VAL  92 -26.319  -6.795 -17.896
  713    HA   VAL  92           HA       VAL  92 -24.636  -6.679 -15.458
  714    HB   VAL  92           HB       VAL  92 -26.587  -8.124 -15.098
  715   HG11  VAL  92          HG11      VAL  92 -27.055  -8.862 -17.400
  716   HG12  VAL  92          HG12      VAL  92 -25.579  -9.853 -17.388
  717   HG13  VAL  92          HG13      VAL  92 -26.922 -10.226 -16.290
  718   HG21  VAL  92          HG21      VAL  92 -25.492 -10.170 -14.343
  719   HG22  VAL  92          HG22      VAL  92 -24.025  -9.742 -15.243
  720   HG23  VAL  92          HG23      VAL  92 -24.591  -8.727 -13.893
  721    H    TYR  93           H        TYR  93 -22.646  -7.653 -15.618
  722    HA   TYR  93           HA       TYR  93 -21.520  -8.451 -18.242
  723    HB2  TYR  93           HB2      TYR  93 -20.404  -6.310 -16.368
  724    HB3  TYR  93           HB3      TYR  93 -19.659  -6.864 -17.854
  725    HD1  TYR  93           HD1      TYR  93 -20.535  -6.217 -20.064
  726    HD2  TYR  93           HD2      TYR  93 -22.259  -4.709 -16.405
  727    HE1  TYR  93           HE1      TYR  93 -21.622  -4.399 -21.335
  728    HE2  TYR  93           HE2      TYR  93 -23.374  -2.905 -17.667
  729    HH   TYR  93           HH       TYR  93 -22.911  -2.493 -21.228
  730    H    THR  94           H        THR  94 -18.899  -8.669 -17.418
  731    HA   THR  94           HA       THR  94 -18.857 -10.203 -14.882
  732    HB   THR  94           HB       THR  94 -17.354 -10.892 -17.441
  733    HG1  THR  94           HG1      THR  94 -19.540 -11.436 -17.550
  734   HG21  THR  94          HG21      THR  94 -16.724 -12.978 -16.250
  735   HG22  THR  94          HG22      THR  94 -16.053 -11.549 -15.462
  736   HG23  THR  94          HG23      THR  94 -17.474 -12.355 -14.765
  737    H    ALA  95           H        ALA  95 -16.977  -9.813 -13.674
  738    HA   ALA  95           HA       ALA  95 -14.989  -7.866 -14.711
  739    HB1  ALA  95           HB1      ALA  95 -16.525  -7.594 -12.088
  740    HB2  ALA  95           HB2      ALA  95 -15.034  -6.703 -12.461
  741    HB3  ALA  95           HB3      ALA  95 -16.467  -6.438 -13.444
  742    H    LYS  96           H        LYS  96 -13.060  -7.831 -13.414
  743    HA   LYS  96           HA       LYS  96 -12.297 -10.492 -12.389
  744    HB2  LYS  96           HB2      LYS  96 -10.561  -7.990 -12.290
  745    HB3  LYS  96           HB3      LYS  96 -10.092  -9.677 -12.320
  746    HG2  LYS  96           HG2      LYS  96  -9.572  -9.160 -14.480
  747    HG3  LYS  96           HG3      LYS  96 -11.257  -9.613 -14.738
  748    HD2  LYS  96           HD2      LYS  96 -11.722  -7.024 -14.315
  749    HD3  LYS  96           HD3      LYS  96 -10.004  -6.833 -14.594
  750    HE2  LYS  96           HE2      LYS  96 -11.993  -8.124 -16.530
  751    HE3  LYS  96           HE3      LYS  96 -11.467  -6.447 -16.602
  752    HZ1  LYS  96           HZ1      LYS  96  -9.198  -7.224 -16.992
  753    HZ2  LYS  96           HZ2      LYS  96  -9.674  -8.789 -16.940
  754    HZ3  LYS  96           HZ3      LYS  96 -10.204  -7.810 -18.129
  755    H    LEU  97           H        LEU  97 -12.554 -10.939 -10.151
  756    HA   LEU  97           HA       LEU  97 -13.466  -8.951  -8.298
  757    HB2  LEU  97           HB2      LEU  97 -13.641 -11.421  -7.943
  758    HB3  LEU  97           HB3      LEU  97 -11.881 -11.506  -7.801
  759    HG   LEU  97           HG       LEU  97 -11.980 -10.058  -5.772
  760   HD11  LEU  97          HD11      LEU  97 -14.239  -9.734  -4.686
  761   HD12  LEU  97          HD12      LEU  97 -14.040  -8.796  -6.159
  762   HD13  LEU  97          HD13      LEU  97 -15.003 -10.290  -6.182
  763   HD21  LEU  97          HD21      LEU  97 -12.018 -12.557  -5.698
  764   HD22  LEU  97          HD22      LEU  97 -12.776 -11.795  -4.307
  765   HD23  LEU  97          HD23      LEU  97 -13.795 -12.486  -5.592
  766    H    SER  98           H        SER  98 -10.313 -10.035  -9.408
  767    HA   SER  98           HA       SER  98  -8.460  -8.778  -7.849
  768    HB2  SER  98           HB2      SER  98  -8.396  -9.037 -10.876
  769    HB3  SER  98           HB3      SER  98  -7.042  -9.192  -9.748
  770    HG   SER  98           HG       SER  98  -8.136 -11.217 -10.622
  771    H    ASP  99           H        ASP  99 -10.825  -7.122  -9.797
  772    HA   ASP  99           HA       ASP  99  -9.264  -4.607  -9.653
  773    HB2  ASP  99           HB2      ASP  99  -9.479  -5.761 -11.946
  774    HB3  ASP  99           HB3      ASP  99 -11.196  -5.369 -11.870
  775    H    ILE 100           H        ILE 100 -11.533  -6.014  -8.086
  776    HA   ILE 100           HA       ILE 100 -13.360  -3.663  -7.866
  777    HB   ILE 100           HB       ILE 100 -13.841  -6.572  -8.144
  778   HG12  ILE 100          HG12      ILE 100 -15.670  -4.166  -8.492
  779   HG13  ILE 100          HG13      ILE 100 -14.531  -4.742  -9.730
  780   HG21  ILE 100          HG21      ILE 100 -15.834  -6.787  -6.816
  781   HG22  ILE 100          HG22      ILE 100 -14.499  -6.394  -5.754
  782   HG23  ILE 100          HG23      ILE 100 -15.673  -5.131  -6.201
  783   HD11  ILE 100          HD11      ILE 100 -16.693  -5.566 -10.297
  784   HD12  ILE 100          HD12      ILE 100 -15.751  -6.954  -9.705
  785   HD13  ILE 100          HD13      ILE 100 -16.979  -6.184  -8.664
  786    H    GLU 101           H        GLU 101 -14.165  -3.227  -5.815
  787    HA   GLU 101           HA       GLU 101 -12.699  -4.353  -3.492
  788    HB2  GLU 101           HB2      GLU 101 -11.897  -2.049  -3.916
  789    HB3  GLU 101           HB3      GLU 101 -13.572  -1.471  -3.997
  790    HG2  GLU 101           HG2      GLU 101 -12.559  -0.928  -1.841
  791    HG3  GLU 101           HG3      GLU 101 -13.927  -2.011  -1.647
  792    H    ALA 102           H        ALA 102 -14.104  -4.922  -1.816
  793    HA   ALA 102           HA       ALA 102 -16.974  -5.079  -2.561
  794    HB1  ALA 102           HB1      ALA 102 -15.466  -6.292  -0.201
  795    HB2  ALA 102           HB2      ALA 102 -17.141  -6.633  -0.703
  796    HB3  ALA 102           HB3      ALA 102 -15.789  -7.097  -1.752
  797    H    ILE 103           H        ILE 103 -18.527  -4.012  -1.460
  798    HA   ILE 103           HA       ILE 103 -17.791  -2.277   0.860
  799    HB   ILE 103           HB       ILE 103 -19.383  -1.727  -1.653
  800   HG12  ILE 103          HG12      ILE 103 -17.132  -0.169  -0.303
  801   HG13  ILE 103          HG13      ILE 103 -16.897  -1.322  -1.617
  802   HG21  ILE 103          HG21      ILE 103 -19.403  -0.006   0.871
  803   HG22  ILE 103          HG22      ILE 103 -20.137   0.426  -0.691
  804   HG23  ILE 103          HG23      ILE 103 -20.786  -0.916   0.218
  805   HD11  ILE 103          HD11      ILE 103 -18.365   0.022  -3.079
  806   HD12  ILE 103          HD12      ILE 103 -18.441   1.275  -1.810
  807   HD13  ILE 103          HD13      ILE 103 -16.887   0.861  -2.545
  808    H    ASP 104           H        ASP 104 -19.123  -2.363   2.564
  809    HA   ASP 104           HA       ASP 104 -20.727  -2.992   3.973
  810    HB2  ASP 104           HB2      ASP 104 -21.874  -1.298   2.590
  811    HB3  ASP 104           HB3      ASP 104 -22.563  -2.581   1.596
  812    H    VAL 105           H        VAL 105 -19.375  -5.207   2.812
  813    HA   VAL 105           HA       VAL 105 -21.499  -7.290   2.864
  814    HB   VAL 105           HB       VAL 105 -19.910  -7.037   0.877
  815   HG11  VAL 105          HG11      VAL 105 -17.777  -8.173   0.947
  816   HG12  VAL 105          HG12      VAL 105 -17.773  -6.794   2.059
  817   HG13  VAL 105          HG13      VAL 105 -17.940  -8.447   2.686
  818   HG21  VAL 105          HG21      VAL 105 -21.438  -8.924   1.289
  819   HG22  VAL 105          HG22      VAL 105 -19.970  -9.336   0.402
  820   HG23  VAL 105          HG23      VAL 105 -20.126  -9.777   2.117
  821    H    ASP 106           H        ASP 106 -20.694  -9.430   3.920
  822    HA   ASP 106           HA       ASP 106 -20.195  -8.848   6.693
  823    HB2  ASP 106           HB2      ASP 106 -21.138 -10.798   6.989
  824    HB3  ASP 106           HB3      ASP 106 -21.296 -11.009   5.248
  825    H    ASP 107           H        ASP 107 -18.475  -9.781   7.970
  826    HA   ASP 107           HA       ASP 107 -15.974  -8.887   7.086
  827    HB2  ASP 107           HB2      ASP 107 -16.613  -9.013   9.445
  828    HB3  ASP 107           HB3      ASP 107 -16.705 -10.774   9.356
  829    H    ASP 108           H        ASP 108 -17.301 -12.257   7.038
  830    HA   ASP 108           HA       ASP 108 -14.695 -13.392   6.529
  831    HB2  ASP 108           HB2      ASP 108 -16.792 -14.563   7.480
  832    HB3  ASP 108           HB3      ASP 108 -17.336 -14.693   5.799
  833    H    THR 109           H        THR 109 -17.476 -12.456   4.471
  834    HA   THR 109           HA       THR 109 -16.397 -13.151   1.945
  835    HB   THR 109           HB       THR 109 -18.312 -10.881   2.724
  836    HG1  THR 109           HG1      THR 109 -19.076 -12.775   3.484
  837   HG21  THR 109          HG21      THR 109 -19.315 -11.490   0.454
  838   HG22  THR 109          HG22      THR 109 -17.789 -10.568   0.418
  839   HG23  THR 109          HG23      THR 109 -17.785 -12.306   0.114
  840    H    GLN 110           H        GLN 110 -16.233 -10.005   3.768
  841    HA   GLN 110           HA       GLN 110 -14.705  -8.693   1.803
  842    HB2  GLN 110           HB2      GLN 110 -15.939  -7.828   3.981
  843    HB3  GLN 110           HB3      GLN 110 -14.371  -8.051   4.748
  844    HG2  GLN 110           HG2      GLN 110 -15.005  -6.329   2.303
  845    HG3  GLN 110           HG3      GLN 110 -14.755  -5.735   3.936
  846   HE21  GLN 110          HE22      GLN 110 -13.202  -6.132   0.969
  847   HE22  GLN 110          HE21      GLN 110 -11.554  -6.165   1.525
  848    H    GLU 111           H        GLU 111 -13.599 -10.603   4.684
  849    HA   GLU 111           HA       GLU 111 -10.831 -10.142   4.249
  850    HB2  GLU 111           HB2      GLU 111 -12.381 -12.331   5.678
  851    HB3  GLU 111           HB3      GLU 111 -10.622 -12.311   5.639
  852    HG2  GLU 111           HG2      GLU 111 -12.261  -9.954   6.678
  853    HG3  GLU 111           HG3      GLU 111 -11.704 -11.280   7.692
  854    H    ALA 112           H        ALA 112 -13.012 -12.670   2.891
  855    HA   ALA 112           HA       ALA 112 -10.916 -14.247   1.725
  856    HB1  ALA 112           HB1      ALA 112 -13.248 -15.039   1.989
  857    HB2  ALA 112           HB2      ALA 112 -13.789 -13.873   0.757
  858    HB3  ALA 112           HB3      ALA 112 -12.681 -15.190   0.319
  859    H    ILE 113           H        ILE 113 -12.844 -11.481   0.512
  860    HA   ILE 113           HA       ILE 113 -11.680 -11.422  -2.107
  861    HB   ILE 113           HB       ILE 113 -13.154  -9.349  -0.427
  862   HG12  ILE 113          HG12      ILE 113 -14.142 -11.034  -2.774
  863   HG13  ILE 113          HG13      ILE 113 -14.354 -11.506  -1.108
  864   HG21  ILE 113          HG21      ILE 113 -12.353  -9.206  -3.364
  865   HG22  ILE 113          HG22      ILE 113 -13.539  -8.126  -2.596
  866   HG23  ILE 113          HG23      ILE 113 -11.866  -8.105  -2.065
  867   HD11  ILE 113          HD11      ILE 113 -15.578  -9.324  -0.711
  868   HD12  ILE 113          HD12      ILE 113 -15.575  -9.125  -2.490
  869   HD13  ILE 113          HD13      ILE 113 -16.381 -10.514  -1.752
  870    H    ALA 114           H        ALA 114 -10.967  -9.602   0.927
  871    HA   ALA 114           HA       ALA 114  -8.875  -8.011  -0.092
  872    HB1  ALA 114           HB1      ALA 114  -9.223  -9.131   2.726
  873    HB2  ALA 114           HB2      ALA 114  -8.208  -7.753   2.258
  874    HB3  ALA 114           HB3      ALA 114  -9.970  -7.642   2.103
  875    H    ASP 115           H        ASP 115  -8.784 -11.311   1.370
  876    HA   ASP 115           HA       ASP 115  -5.922 -11.503   1.229
  877    HB2  ASP 115           HB2      ASP 115  -7.164 -12.881   2.775
  878    HB3  ASP 115           HB3      ASP 115  -8.017 -13.674   1.442
  879    H    TRP 116           H        TRP 116  -8.492 -12.335  -1.176
  880    HA   TRP 116           HA       TRP 116  -6.686 -13.623  -3.017
  881    HB2  TRP 116           HB2      TRP 116  -9.030 -13.879  -3.415
  882    HB3  TRP 116           HB3      TRP 116  -9.308 -12.145  -3.383
  883    HD1  TRP 116           HD1      TRP 116  -9.482 -11.005  -5.623
  884    HE1  TRP 116           HE1      TRP 116  -8.704 -11.432  -8.037
  885    HE3  TRP 116           HE3      TRP 116  -6.854 -15.352  -4.914
  886    HZ2  TRP 116           HZ2      TRP 116  -7.203 -13.401  -9.473
  887    HZ3  TRP 116           HZ3      TRP 116  -5.759 -16.475  -6.823
  888    HH2  TRP 116           HH2      TRP 116  -5.918 -15.513  -9.108
  889    H    LEU 117           H        LEU 117  -7.682 -10.191  -2.570
  890    HA   LEU 117           HA       LEU 117  -6.153  -9.171  -4.764
  891    HB2  LEU 117           HB2      LEU 117  -7.136  -7.900  -2.176
  892    HB3  LEU 117           HB3      LEU 117  -6.356  -6.982  -3.452
  893    HG   LEU 117           HG       LEU 117  -8.825  -8.668  -4.036
  894   HD11  LEU 117          HD11      LEU 117  -8.767  -5.784  -3.062
  895   HD12  LEU 117          HD12      LEU 117 -10.190  -6.648  -3.693
  896   HD13  LEU 117          HD13      LEU 117  -9.428  -7.189  -2.192
  897   HD21  LEU 117          HD21      LEU 117  -7.676  -6.178  -5.369
  898   HD22  LEU 117          HD22      LEU 117  -7.512  -7.839  -5.971
  899   HD23  LEU 117          HD23      LEU 117  -9.113  -7.085  -5.884
  900    H    TYR 118           H        TYR 118  -5.394  -9.489  -1.251
  901    HA   TYR 118           HA       TYR 118  -2.762  -8.461  -1.467
  902    HB2  TYR 118           HB2      TYR 118  -3.902 -10.468   0.515
  903    HB3  TYR 118           HB3      TYR 118  -2.346  -9.675   0.672
  904    HD1  TYR 118           HD1      TYR 118  -3.079  -6.810  -0.109
  905    HD2  TYR 118           HD2      TYR 118  -4.985  -9.701   2.474
  906    HE1  TYR 118           HE1      TYR 118  -4.072  -4.979   1.204
  907    HE2  TYR 118           HE2      TYR 118  -5.973  -7.872   3.800
  908    HH   TYR 118           HH       TYR 118  -6.183  -5.561   4.058
  909    H    TRP 119           H        TRP 119  -3.951 -11.887  -1.745
  910    HA   TRP 119           HA       TRP 119  -1.436 -13.088  -2.100
  911    HB2  TRP 119           HB2      TRP 119  -3.269 -14.536  -1.834
  912    HB3  TRP 119           HB3      TRP 119  -4.218 -13.732  -3.077
  913    HD1  TRP 119           HD1      TRP 119  -4.107 -14.566  -5.464
  914    HE1  TRP 119           HE1      TRP 119  -2.822 -16.369  -6.756
  915    HE3  TRP 119           HE3      TRP 119  -0.774 -15.915  -1.818
  916    HZ2  TRP 119           HZ2      TRP 119  -0.640 -18.201  -6.238
  917    HZ3  TRP 119           HZ3      TRP 119   0.922 -17.671  -2.259
  918    HH2  TRP 119           HH2      TRP 119   0.998 -18.816  -4.465
  919    H    LEU 120           H        LEU 120  -3.511 -11.371  -4.485
  920    HA   LEU 120           HA       LEU 120  -2.066 -12.154  -6.778
  921    HB2  LEU 120           HB2      LEU 120  -4.359 -10.878  -6.514
  922    HB3  LEU 120           HB3      LEU 120  -3.368  -9.426  -6.412
  923    HG   LEU 120           HG       LEU 120  -2.321 -10.219  -8.674
  924   HD11  LEU 120          HD11      LEU 120  -3.788 -11.644 -10.043
  925   HD12  LEU 120          HD12      LEU 120  -3.312 -12.535  -8.590
  926   HD13  LEU 120          HD13      LEU 120  -4.928 -11.822  -8.695
  927   HD21  LEU 120          HD21      LEU 120  -3.777  -8.268  -8.491
  928   HD22  LEU 120          HD22      LEU 120  -4.216  -9.194  -9.934
  929   HD23  LEU 120          HD23      LEU 120  -5.218  -9.302  -8.465
  930    H    ALA 121           H        ALA 121  -1.623  -9.490  -4.452
  931    HA   ALA 121           HA       ALA 121   0.680  -8.324  -5.793
  932    HB1  ALA 121           HB1      ALA 121  -0.485  -7.954  -2.999
  933    HB2  ALA 121           HB2      ALA 121   0.694  -6.880  -3.791
  934    HB3  ALA 121           HB3      ALA 121  -0.953  -7.037  -4.438
  935    H    ARG 122           H        ARG 122   0.215 -10.721  -3.168
  936    HA   ARG 122           HA       ARG 122   2.972 -10.885  -2.335
  937    HB2  ARG 122           HB2      ARG 122   0.755 -12.934  -2.200
  938    HB3  ARG 122           HB3      ARG 122   2.386 -13.147  -1.562
  939    HG2  ARG 122           HG2      ARG 122   2.058 -10.935  -0.291
  940    HG3  ARG 122           HG3      ARG 122   0.343 -11.071  -0.663
  941    HD2  ARG 122           HD2      ARG 122   2.009 -13.161   0.723
  942    HD3  ARG 122           HD3      ARG 122   1.063 -11.934   1.563
  943    HE   ARG 122           HE       ARG 122   0.069 -14.340   0.162
  944   HH11  ARG 122          HH21      ARG 122  -0.799 -11.344   1.791
  945   HH12  ARG 122          HH22      ARG 122  -2.340 -11.874   2.357
  946   HH21  ARG 122          HH11      ARG 122  -2.120 -15.018   0.690
  947   HH22  ARG 122          HH12      ARG 122  -3.183 -13.946   1.540
  948    H    GLY 123           H        GLY 123   1.154 -12.253  -5.059
  949    HA2  GLY 123           HA2      GLY 123   3.031 -12.425  -6.932
  950    HA3  GLY 123           HA3      GLY 123   3.416 -13.890  -6.005
  951    H    TYR 124           H        TYR 124   1.511 -12.694  -8.537
  952    HA   TYR 124           HA       TYR 124  -0.803 -14.405  -8.245
  953    HB2  TYR 124           HB2      TYR 124  -0.905 -12.224  -9.330
  954    HB3  TYR 124           HB3      TYR 124   0.347 -12.687 -10.469
  955    HD1  TYR 124           HD2      TYR 124  -2.541 -14.958  -9.616
  956    HD2  TYR 124           HD1      TYR 124  -0.889 -12.100 -12.409
  957    HE1  TYR 124           HE2      TYR 124  -4.226 -15.616 -11.274
  958    HE2  TYR 124           HE1      TYR 124  -2.597 -12.745 -14.075
  959    HH   TYR 124           HH       TYR 124  -5.050 -15.288 -13.431
  960    H    LYS 125           H        LYS 125   0.901 -16.237  -7.769
  961    HA   LYS 125           HA       LYS 125   2.276 -17.431 -10.042
  962    HB2  LYS 125           HB2      LYS 125   1.532 -18.544  -7.295
  963    HB3  LYS 125           HB3      LYS 125   2.555 -19.360  -8.481
  964    HG2  LYS 125           HG2      LYS 125   4.202 -17.507  -8.367
  965    HG3  LYS 125           HG3      LYS 125   3.175 -16.649  -7.220
  966    HD2  LYS 125           HD2      LYS 125   4.940 -17.731  -5.988
  967    HD3  LYS 125           HD3      LYS 125   3.399 -18.473  -5.586
  968    HE2  LYS 125           HE2      LYS 125   5.037 -20.215  -5.773
  969    HE3  LYS 125           HE3      LYS 125   3.917 -20.378  -7.123
  970    HZ1  LYS 125           HZ1      LYS 125   6.223 -20.632  -7.811
  971    HZ2  LYS 125           HZ2      LYS 125   5.598 -19.319  -8.541
  972    HZ3  LYS 125           HZ3      LYS 125   6.616 -19.150  -7.271
  973    H    PHE 126           H        PHE 126  -0.921 -17.689  -8.557
  974    HA   PHE 126           HA       PHE 126  -2.097 -19.059 -10.745
  975    HB2  PHE 126           HB2      PHE 126  -2.977 -20.949  -9.291
  976    HB3  PHE 126           HB3      PHE 126  -1.311 -21.079  -9.806
  977    HD1  PHE 126           HD1      PHE 126  -3.464 -20.303  -6.859
  978    HD2  PHE 126           HD2      PHE 126   0.498 -21.245  -8.268
  979    HE1  PHE 126           HE1      PHE 126  -2.721 -20.741  -4.518
  980    HE2  PHE 126           HE2      PHE 126   1.247 -21.617  -5.935
  981    HZ   PHE 126           HZ       PHE 126  -0.367 -21.356  -4.052
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   3.132  -0.581  -3.443
    2    H2   MET   1           H2       MET   1   3.418  -0.708  -1.839
    3    H3   MET   1           H3       MET   1   4.373   0.256  -2.771
    4    HA   MET   1           HA       MET   1   5.192  -1.609  -3.982
    5    HB2  MET   1           HB2      MET   1   6.626  -2.600  -2.344
    6    HB3  MET   1           HB3      MET   1   6.469  -0.892  -1.993
    7    HG2  MET   1           HG2      MET   1   4.996  -3.120  -0.516
    8    HG3  MET   1           HG3      MET   1   6.504  -2.383  -0.004
    9    HE1  MET   1           HE1      MET   1   4.075  -1.094   2.734
   10    HE2  MET   1           HE2      MET   1   4.062  -2.685   1.943
   11    HE3  MET   1           HE3      MET   1   5.608  -1.924   2.386
   12    H    ALA   2           H        ALA   2   5.431  -3.997  -4.119
   13    HA   ALA   2           HA       ALA   2   2.890  -5.279  -4.268
   14    HB1  ALA   2           HB1      ALA   2   4.766  -5.842  -5.748
   15    HB2  ALA   2           HB2      ALA   2   5.715  -6.432  -4.361
   16    HB3  ALA   2           HB3      ALA   2   4.236  -7.279  -4.854
   17    H    SER   3           H        SER   3   5.429  -5.341  -1.730
   18    HA   SER   3           HA       SER   3   4.435  -7.564  -0.317
   19    HB2  SER   3           HB2      SER   3   5.933  -5.146   0.764
   20    HB3  SER   3           HB3      SER   3   5.844  -6.758   1.504
   21    HG   SER   3           HG       SER   3   7.772  -6.314   0.204
   22    H    VAL   4           H        VAL   4   2.927  -7.876   1.106
   23    HA   VAL   4           HA       VAL   4   1.347  -5.683   2.326
   24    HB   VAL   4           HB       VAL   4  -0.755  -6.904   1.604
   25   HG11  VAL   4          HG11      VAL   4   0.824  -5.752  -0.720
   26   HG12  VAL   4          HG12      VAL   4  -0.935  -5.876  -0.564
   27   HG13  VAL   4          HG13      VAL   4  -0.029  -4.801   0.513
   28   HG21  VAL   4          HG21      VAL   4   0.278  -9.069   0.930
   29   HG22  VAL   4          HG22      VAL   4  -0.697  -8.340  -0.353
   30   HG23  VAL   4          HG23      VAL   4   1.062  -8.259  -0.447
   31    H    GLU   5           H        GLU   5   3.073  -8.492   2.761
   32    HA   GLU   5           HA       GLU   5   1.456 -10.064   4.463
   33    HB2  GLU   5           HB2      GLU   5   4.499  -9.755   4.487
   34    HB3  GLU   5           HB3      GLU   5   3.555 -11.082   5.152
   35    HG2  GLU   5           HG2      GLU   5   4.164 -12.074   3.213
   36    HG3  GLU   5           HG3      GLU   5   2.688 -11.317   2.632
   37    H    ARG   6           H        ARG   6   1.315 -10.136   6.735
   38    HA   ARG   6           HA       ARG   6   2.510  -7.920   8.293
   39    HB2  ARG   6           HB2      ARG   6   0.359  -7.211   9.122
   40    HB3  ARG   6           HB3      ARG   6   0.421  -7.144   7.365
   41    HG2  ARG   6           HG2      ARG   6  -0.772  -9.526   7.502
   42    HG3  ARG   6           HG3      ARG   6  -1.157  -9.014   9.148
   43    HD2  ARG   6           HD2      ARG   6  -2.996  -8.425   7.704
   44    HD3  ARG   6           HD3      ARG   6  -2.187  -6.918   8.178
   45    HE   ARG   6           HE       ARG   6  -0.976  -7.735   5.783
   46   HH11  ARG   6          HH11      ARG   6  -4.236  -6.709   6.762
   47   HH12  ARG   6          HH12      ARG   6  -4.689  -6.182   5.179
   48   HH21  ARG   6          HH21      ARG   6  -1.515  -7.061   3.772
   49   HH22  ARG   6          HH22      ARG   6  -3.101  -6.452   3.381
   50    H    ASP   7           H        ASP   7   1.158 -11.222   8.288
   51    HA   ASP   7           HA       ASP   7   2.734 -11.732  10.638
   52    HB2  ASP   7           HB2      ASP   7   0.550 -10.929  11.653
   53    HB3  ASP   7           HB3      ASP   7  -0.266 -12.255  10.825
   54    H    GLU   8           H        GLU   8   3.278 -13.945  10.688
   55    HA   GLU   8           HA       GLU   8   3.177 -15.259   8.169
   56    HB2  GLU   8           HB2      GLU   8   4.040 -16.265  10.916
   57    HB3  GLU   8           HB3      GLU   8   4.381 -17.083   9.393
   58    HG2  GLU   8           HG2      GLU   8   5.394 -14.315  10.179
   59    HG3  GLU   8           HG3      GLU   8   6.316 -15.807  10.237
   60    H    THR   9           H        THR   9   0.949 -15.484  10.920
   61    HA   THR   9           HA       THR   9   0.034 -18.111  10.681
   62    HB   THR   9           HB       THR   9  -2.150 -16.995  11.453
   63    HG1  THR   9           HG1      THR   9  -0.488 -14.752  11.809
   64   HG21  THR   9          HG21      THR   9  -1.217 -16.431  13.688
   65   HG22  THR   9          HG22      THR   9  -0.636 -17.983  13.045
   66   HG23  THR   9          HG23      THR   9   0.419 -16.557  12.990
   67    H    ARG  10           H        ARG  10  -0.777 -15.254   8.762
   68    HA   ARG  10           HA       ARG  10  -3.038 -16.355   7.365
   69    HB2  ARG  10           HB2      ARG  10  -1.040 -14.158   6.645
   70    HB3  ARG  10           HB3      ARG  10  -2.383 -14.604   5.603
   71    HG2  ARG  10           HG2      ARG  10  -2.941 -12.645   6.897
   72    HG3  ARG  10           HG3      ARG  10  -4.019 -13.984   7.295
   73    HD2  ARG  10           HD2      ARG  10  -2.900 -14.350   9.411
   74    HD3  ARG  10           HD3      ARG  10  -1.623 -13.180   8.999
   75    HE   ARG  10           HE       ARG  10  -3.950 -11.728   8.815
   76   HH11  ARG  10          HH11      ARG  10  -2.501 -13.690  11.426
   77   HH12  ARG  10          HH12      ARG  10  -3.160 -12.711  12.688
   78   HH21  ARG  10          HH21      ARG  10  -4.823 -10.454  10.513
   79   HH22  ARG  10          HH22      ARG  10  -4.508 -10.848  12.158
   80    H    GLU  11           H        GLU  11   0.453 -16.342   6.537
   81    HA   GLU  11           HA       GLU  11   0.098 -17.687   4.022
   82    HB2  GLU  11           HB2      GLU  11   2.536 -17.486   5.851
   83    HB3  GLU  11           HB3      GLU  11   2.558 -18.067   4.188
   84    HG2  GLU  11           HG2      GLU  11   1.797 -15.248   5.079
   85    HG3  GLU  11           HG3      GLU  11   3.335 -15.733   4.384
   86    H    HIS  12           H        HIS  12   0.908 -18.802   7.339
   87    HA   HIS  12           HA       HIS  12   1.211 -21.558   6.731
   88    HB2  HIS  12           HB2      HIS  12   2.012 -20.841   8.815
   89    HB3  HIS  12           HB3      HIS  12   0.567 -19.908   9.175
   90    HD1  HIS  12           HD1      HIS  12   1.313 -23.738   8.826
   91    HD2  HIS  12           HD2      HIS  12  -1.000 -20.888  10.886
   92    HE1  HIS  12           HE1      HIS  12  -0.069 -25.036  10.525
   93    H    ARG  13           H        ARG  13  -1.744 -19.730   7.772
   94    HA   ARG  13           HA       ARG  13  -3.391 -22.056   7.917
   95    HB2  ARG  13           HB2      ARG  13  -3.998 -19.085   7.620
   96    HB3  ARG  13           HB3      ARG  13  -5.270 -20.300   7.783
   97    HG2  ARG  13           HG2      ARG  13  -4.574 -20.941   9.974
   98    HG3  ARG  13           HG3      ARG  13  -3.040 -20.075   9.839
   99    HD2  ARG  13           HD2      ARG  13  -4.275 -17.920   9.680
  100    HD3  ARG  13           HD3      ARG  13  -5.802 -18.796   9.925
  101    HE   ARG  13           HE       ARG  13  -4.238 -19.571  12.057
  102   HH11  ARG  13          HH21      ARG  13  -5.401 -16.444  10.842
  103   HH12  ARG  13          HH22      ARG  13  -5.342 -15.662  12.376
  104   HH21  ARG  13          HH11      ARG  13  -4.174 -18.533  14.112
  105   HH22  ARG  13          HH12      ARG  13  -4.639 -16.885  14.278
  106    H    ILE  14           H        ILE  14  -2.992 -19.631   5.237
  107    HA   ILE  14           HA       ILE  14  -4.975 -20.903   3.667
  108    HB   ILE  14           HB       ILE  14  -4.085 -18.566   3.394
  109   HG12  ILE  14          HG12      ILE  14  -4.366 -20.358   0.946
  110   HG13  ILE  14          HG13      ILE  14  -5.660 -19.591   1.860
  111   HG21  ILE  14          HG21      ILE  14  -2.202 -18.090   1.968
  112   HG22  ILE  14          HG22      ILE  14  -1.657 -19.097   3.298
  113   HG23  ILE  14          HG23      ILE  14  -1.891 -19.815   1.688
  114   HD11  ILE  14          HD11      ILE  14  -5.373 -18.358  -0.128
  115   HD12  ILE  14          HD12      ILE  14  -4.740 -17.347   1.185
  116   HD13  ILE  14          HD13      ILE  14  -3.622 -18.207   0.091
  117    H    GLU  15           H        GLU  15  -1.434 -21.425   3.898
  118    HA   GLU  15           HA       GLU  15  -1.227 -23.319   1.790
  119    HB2  GLU  15           HB2      GLU  15   0.672 -22.135   2.712
  120    HB3  GLU  15           HB3      GLU  15   0.413 -22.842   4.315
  121    HG2  GLU  15           HG2      GLU  15   0.998 -25.046   3.526
  122    HG3  GLU  15           HG3      GLU  15   1.065 -24.488   1.847
  123    H    THR  16           H        THR  16  -2.089 -23.739   5.260
  124    HA   THR  16           HA       THR  16  -1.972 -26.658   4.902
  125    HB   THR  16           HB       THR  16  -2.271 -26.688   7.378
  126    HG1  THR  16           HG1      THR  16  -1.799 -23.901   7.204
  127   HG21  THR  16          HG21      THR  16   0.071 -25.022   6.352
  128   HG22  THR  16          HG22      THR  16   0.000 -25.932   7.879
  129   HG23  THR  16          HG23      THR  16  -0.042 -26.793   6.335
  130    H    GLU  17           H        GLU  17  -4.479 -24.322   4.655
  131    HA   GLU  17           HA       GLU  17  -6.485 -26.500   5.126
  132    HB2  GLU  17           HB2      GLU  17  -6.750 -23.559   5.853
  133    HB3  GLU  17           HB3      GLU  17  -7.978 -24.806   6.049
  134    HG2  GLU  17           HG2      GLU  17  -6.387 -26.048   7.577
  135    HG3  GLU  17           HG3      GLU  17  -5.322 -24.640   7.526
  136    H    ILE  18           H        ILE  18  -5.513 -23.908   2.894
  137    HA   ILE  18           HA       ILE  18  -8.162 -24.180   1.548
  138    HB   ILE  18           HB       ILE  18  -6.216 -21.898   1.826
  139   HG12  ILE  18          HG12      ILE  18  -9.187 -22.197   2.494
  140   HG13  ILE  18          HG13      ILE  18  -7.892 -22.425   3.662
  141   HG21  ILE  18          HG21      ILE  18  -8.644 -22.026  -0.003
  142   HG22  ILE  18          HG22      ILE  18  -7.731 -20.546   0.386
  143   HG23  ILE  18          HG23      ILE  18  -6.957 -21.831  -0.509
  144   HD11  ILE  18          HD11      ILE  18  -8.904 -20.257   3.958
  145   HD12  ILE  18          HD12      ILE  18  -7.219 -20.075   3.454
  146   HD13  ILE  18          HD13      ILE  18  -8.543 -19.792   2.294
  147    H    ILE  19           H        ILE  19  -4.632 -24.281   0.842
  148    HA   ILE  19           HA       ILE  19  -5.441 -25.707  -1.655
  149    HB   ILE  19           HB       ILE  19  -3.553 -24.850  -2.848
  150   HG12  ILE  19          HG12      ILE  19  -2.166 -24.240  -0.744
  151   HG13  ILE  19          HG13      ILE  19  -1.997 -23.322  -2.229
  152   HG21  ILE  19          HG21      ILE  19  -5.727 -23.805  -3.138
  153   HG22  ILE  19          HG22      ILE  19  -5.360 -22.614  -1.887
  154   HG23  ILE  19          HG23      ILE  19  -4.413 -22.644  -3.383
  155   HD11  ILE  19          HD11      ILE  19  -3.254 -21.461  -1.352
  156   HD12  ILE  19          HD12      ILE  19  -3.744 -22.393   0.065
  157   HD13  ILE  19          HD13      ILE  19  -2.044 -21.926  -0.145
  158    H    VAL  20           H        VAL  20  -4.603 -26.573   1.169
  159    HA   VAL  20           HA       VAL  20  -2.062 -27.695   1.111
  160    HB   VAL  20           HB       VAL  20  -3.625 -27.359   3.001
  161   HG11  VAL  20          HG11      VAL  20  -5.671 -28.428   2.165
  162   HG12  VAL  20          HG12      VAL  20  -4.889 -30.021   2.324
  163   HG13  VAL  20          HG13      VAL  20  -5.183 -29.023   3.754
  164   HG21  VAL  20          HG21      VAL  20  -2.773 -29.200   4.374
  165   HG22  VAL  20          HG22      VAL  20  -2.361 -30.122   2.913
  166   HG23  VAL  20          HG23      VAL  20  -1.516 -28.602   3.277
  167    H    ASP  21           H        ASP  21  -5.088 -29.052  -0.093
  168    HA   ASP  21           HA       ASP  21  -3.995 -31.673  -0.682
  169    HB2  ASP  21           HB2      ASP  21  -6.344 -31.258  -0.021
  170    HB3  ASP  21           HB3      ASP  21  -6.604 -30.342  -1.506
  171    H    ALA  22           H        ALA  22  -3.782 -28.698  -2.364
  172    HA   ALA  22           HA       ALA  22  -4.256 -29.685  -5.054
  173    HB1  ALA  22           HB1      ALA  22  -2.999 -27.099  -4.059
  174    HB2  ALA  22           HB2      ALA  22  -3.560 -27.415  -5.707
  175    HB3  ALA  22           HB3      ALA  22  -4.736 -27.346  -4.380
  176    H    GLU  23           H        GLU  23  -2.647 -29.504  -6.774
  177    HA   GLU  23           HA       GLU  23   0.203 -29.872  -5.994
  178    HB2  GLU  23           HB2      GLU  23  -1.402 -31.692  -7.841
  179    HB3  GLU  23           HB3      GLU  23   0.357 -31.712  -7.670
  180    HG2  GLU  23           HG2      GLU  23   0.094 -32.249  -5.240
  181    HG3  GLU  23           HG3      GLU  23  -1.655 -32.347  -5.472
  182    H    ASP  24           H        ASP  24  -2.231 -28.946  -8.435
  183    HA   ASP  24           HA       ASP  24  -0.119 -27.629 -10.093
  184    HB2  ASP  24           HB2      ASP  24  -1.008 -29.603 -11.221
  185    HB3  ASP  24           HB3      ASP  24  -2.666 -29.096 -10.887
  186    H    LYS  25           H        LYS  25  -0.845 -25.577 -11.102
  187    HA   LYS  25           HA       LYS  25  -2.218 -23.945  -9.321
  188    HB2  LYS  25           HB2      LYS  25  -2.272 -22.253 -10.991
  189    HB3  LYS  25           HB3      LYS  25  -0.707 -23.043 -11.011
  190    HG2  LYS  25           HG2      LYS  25  -1.051 -24.027 -13.102
  191    HG3  LYS  25           HG3      LYS  25  -2.807 -24.003 -12.989
  192    HD2  LYS  25           HD2      LYS  25  -1.095 -21.526 -13.319
  193    HD3  LYS  25           HD3      LYS  25  -1.913 -22.386 -14.631
  194    HE2  LYS  25           HE2      LYS  25  -3.906 -21.440 -14.208
  195    HE3  LYS  25           HE3      LYS  25  -3.814 -21.856 -12.495
  196    HZ1  LYS  25           HZ1      LYS  25  -2.626 -19.421 -13.704
  197    HZ2  LYS  25           HZ2      LYS  25  -3.946 -19.473 -12.749
  198    HZ3  LYS  25           HZ3      LYS  25  -2.485 -19.857 -12.127
  199    H    GLU  26           H        GLU  26  -3.746 -25.990 -11.824
  200    HA   GLU  26           HA       GLU  26  -6.246 -24.530 -11.795
  201    HB2  GLU  26           HB2      GLU  26  -5.508 -27.394 -12.527
  202    HB3  GLU  26           HB3      GLU  26  -7.152 -26.758 -12.643
  203    HG2  GLU  26           HG2      GLU  26  -6.515 -25.103 -14.273
  204    HG3  GLU  26           HG3      GLU  26  -4.799 -25.442 -14.060
  205    H    GLU  27           H        GLU  27  -4.855 -27.201  -9.867
  206    HA   GLU  27           HA       GLU  27  -7.255 -27.696  -8.337
  207    HB2  GLU  27           HB2      GLU  27  -4.349 -28.341  -7.698
  208    HB3  GLU  27           HB3      GLU  27  -5.762 -29.014  -6.891
  209    HG2  GLU  27           HG2      GLU  27  -5.013 -29.380  -9.825
  210    HG3  GLU  27           HG3      GLU  27  -4.770 -30.562  -8.545
  211    H    ARG  28           H        ARG  28  -4.343 -25.635  -7.935
  212    HA   ARG  28           HA       ARG  28  -5.063 -24.700  -5.298
  213    HB2  ARG  28           HB2      ARG  28  -3.327 -23.381  -7.441
  214    HB3  ARG  28           HB3      ARG  28  -3.477 -22.833  -5.768
  215    HG2  ARG  28           HG2      ARG  28  -2.659 -25.030  -4.965
  216    HG3  ARG  28           HG3      ARG  28  -2.415 -25.561  -6.636
  217    HD2  ARG  28           HD2      ARG  28  -0.730 -23.771  -6.950
  218    HD3  ARG  28           HD3      ARG  28  -1.050 -23.210  -5.308
  219    HE   ARG  28           HE       ARG  28   0.106 -24.953  -4.387
  220   HH11  ARG  28          HH12      ARG  28  -0.009 -25.416  -7.900
  221   HH12  ARG  28          HH11      ARG  28   0.920 -26.890  -7.865
  222   HH21  ARG  28          HH21      ARG  28   1.471 -26.813  -4.383
  223   HH22  ARG  28          HH22      ARG  28   1.907 -27.573  -5.867
  224    H    ALA  29           H        ALA  29  -5.907 -23.565  -8.580
  225    HA   ALA  29           HA       ALA  29  -7.265 -21.192  -7.706
  226    HB1  ALA  29           HB1      ALA  29  -8.204 -21.157  -9.942
  227    HB2  ALA  29           HB2      ALA  29  -6.496 -21.599 -10.055
  228    HB3  ALA  29           HB3      ALA  29  -7.753 -22.848 -10.223
  229    H    MET  30           H        MET  30  -8.323 -24.622  -8.250
  230    HA   MET  30           HA       MET  30 -11.045 -24.153  -7.546
  231    HB2  MET  30           HB2      MET  30  -9.352 -26.661  -7.310
  232    HB3  MET  30           HB3      MET  30 -11.084 -26.595  -6.999
  233    HG2  MET  30           HG2      MET  30  -9.785 -25.893  -9.645
  234    HG3  MET  30           HG3      MET  30 -10.533 -27.424  -9.238
  235    HE1  MET  30           HE1      MET  30 -12.410 -23.709 -10.917
  236    HE2  MET  30           HE2      MET  30 -12.052 -23.370  -9.218
  237    HE3  MET  30           HE3      MET  30 -10.753 -23.908 -10.302
  238    H    GLY  31           H        GLY  31  -8.231 -25.003  -5.446
  239    HA2  GLY  31           HA2      GLY  31  -9.609 -25.234  -3.018
  240    HA3  GLY  31           HA3      GLY  31  -7.959 -24.612  -3.197
  241    H    TRP  32           H        TRP  32  -8.125 -22.244  -4.388
  242    HA   TRP  32           HA       TRP  32  -9.166 -20.355  -2.605
  243    HB2  TRP  32           HB2      TRP  32  -8.299 -20.296  -5.492
  244    HB3  TRP  32           HB3      TRP  32  -9.181 -18.926  -4.853
  245    HD1  TRP  32           HD1      TRP  32  -5.774 -20.571  -4.629
  246    HE1  TRP  32           HE1      TRP  32  -4.155 -18.994  -3.430
  247    HE3  TRP  32           HE3      TRP  32  -9.143 -17.106  -2.936
  248    HZ2  TRP  32           HZ2      TRP  32  -4.300 -16.494  -1.967
  249    HZ3  TRP  32           HZ3      TRP  32  -8.377 -15.166  -1.599
  250    HH2  TRP  32           HH2      TRP  32  -5.961 -14.838  -1.128
  251    H    TYR  33           H        TYR  33 -10.642 -21.481  -5.723
  252    HA   TYR  33           HA       TYR  33 -12.931 -19.889  -5.591
  253    HB2  TYR  33           HB2      TYR  33 -12.326 -21.046  -7.616
  254    HB3  TYR  33           HB3      TYR  33 -12.455 -22.614  -6.833
  255    HD1  TYR  33           HD1      TYR  33 -14.616 -23.664  -6.360
  256    HD2  TYR  33           HD2      TYR  33 -14.376 -19.820  -8.299
  257    HE1  TYR  33           HE1      TYR  33 -17.014 -23.815  -6.944
  258    HE2  TYR  33           HE2      TYR  33 -16.714 -20.046  -9.049
  259    HH   TYR  33           HH       TYR  33 -18.673 -21.320  -8.939
  260    H    TYR  34           H        TYR  34 -12.462 -23.211  -4.199
  261    HA   TYR  34           HA       TYR  34 -15.197 -23.583  -3.581
  262    HB2  TYR  34           HB2      TYR  34 -12.710 -24.766  -2.279
  263    HB3  TYR  34           HB3      TYR  34 -14.347 -25.294  -1.936
  264    HD1  TYR  34           HD1      TYR  34 -15.581 -25.420  -4.688
  265    HD2  TYR  34           HD2      TYR  34 -11.727 -26.691  -3.208
  266    HE1  TYR  34           HE1      TYR  34 -15.461 -27.122  -6.468
  267    HE2  TYR  34           HE2      TYR  34 -11.620 -28.425  -4.962
  268    HH   TYR  34           HH       TYR  34 -12.692 -29.393  -6.797
  269    H    TYR  35           H        TYR  35 -12.483 -22.410  -1.419
  270    HA   TYR  35           HA       TYR  35 -14.405 -22.079   0.718
  271    HB2  TYR  35           HB2      TYR  35 -12.708 -21.601   2.067
  272    HB3  TYR  35           HB3      TYR  35 -11.739 -22.308   0.793
  273    HD1  TYR  35           HD1      TYR  35 -10.467 -20.792  -0.767
  274    HD2  TYR  35           HD2      TYR  35 -12.622 -19.251   2.629
  275    HE1  TYR  35           HE1      TYR  35  -9.237 -18.659  -0.972
  276    HE2  TYR  35           HE2      TYR  35 -11.419 -17.103   2.434
  277    HH   TYR  35           HH       TYR  35  -9.821 -15.889   1.269
  278    H    LEU  36           H        LEU  36 -13.078 -19.885  -1.786
  279    HA   LEU  36           HA       LEU  36 -14.051 -17.485  -0.663
  280    HB2  LEU  36           HB2      LEU  36 -12.306 -17.652  -2.399
  281    HB3  LEU  36           HB3      LEU  36 -13.496 -18.265  -3.553
  282    HG   LEU  36           HG       LEU  36 -14.693 -16.084  -3.465
  283   HD11  LEU  36          HD11      LEU  36 -13.534 -14.124  -2.441
  284   HD12  LEU  36          HD12      LEU  36 -14.041 -15.291  -1.216
  285   HD13  LEU  36          HD13      LEU  36 -12.335 -15.216  -1.714
  286   HD21  LEU  36          HD21      LEU  36 -11.716 -15.863  -4.096
  287   HD22  LEU  36          HD22      LEU  36 -12.944 -16.585  -5.155
  288   HD23  LEU  36          HD23      LEU  36 -13.031 -14.869  -4.760
  289    H    ASP  37           H        ASP  37 -15.490 -19.599  -3.230
  290    HA   ASP  37           HA       ASP  37 -17.839 -18.054  -3.629
  291    HB2  ASP  37           HB2      ASP  37 -17.061 -19.796  -5.192
  292    HB3  ASP  37           HB3      ASP  37 -17.380 -21.042  -3.981
  293    H    ASP  38           H        ASP  38 -17.136 -20.777  -1.394
  294    HA   ASP  38           HA       ASP  38 -19.739 -20.930  -0.231
  295    HB2  ASP  38           HB2      ASP  38 -18.061 -22.695   0.001
  296    HB3  ASP  38           HB3      ASP  38 -17.012 -21.614   0.924
  297    H    THR  39           H        THR  39 -17.129 -18.606   0.288
  298    HA   THR  39           HA       THR  39 -18.155 -17.736   2.902
  299    HB   THR  39           HB       THR  39 -15.891 -16.713   1.130
  300    HG1  THR  39           HG1      THR  39 -15.430 -18.686   1.946
  301   HG21  THR  39          HG21      THR  39 -16.539 -14.865   2.483
  302   HG22  THR  39          HG22      THR  39 -16.806 -15.885   3.906
  303   HG23  THR  39          HG23      THR  39 -15.155 -15.600   3.308
  304    H    LEU  40           H        LEU  40 -18.032 -16.548  -0.486
  305    HA   LEU  40           HA       LEU  40 -19.029 -13.951  -0.098
  306    HB2  LEU  40           HB2      LEU  40 -18.853 -15.912  -2.369
  307    HB3  LEU  40           HB3      LEU  40 -20.036 -14.624  -2.535
  308    HG   LEU  40           HG       LEU  40 -18.405 -12.908  -2.295
  309   HD11  LEU  40          HD11      LEU  40 -16.005 -13.277  -2.204
  310   HD12  LEU  40          HD12      LEU  40 -16.744 -14.021  -0.779
  311   HD13  LEU  40          HD13      LEU  40 -16.250 -15.027  -2.147
  312   HD21  LEU  40          HD21      LEU  40 -18.842 -13.934  -4.534
  313   HD22  LEU  40          HD22      LEU  40 -17.212 -13.248  -4.407
  314   HD23  LEU  40          HD23      LEU  40 -17.451 -15.005  -4.293
  315    H    GLU  41           H        GLU  41 -20.900 -13.329   0.833
  316    HA   GLU  41           HA       GLU  41 -23.283 -15.011   0.797
  317    HB2  GLU  41           HB2      GLU  41 -24.356 -13.190   1.977
  318    HB3  GLU  41           HB3      GLU  41 -22.863 -13.686   2.757
  319    HG2  GLU  41           HG2      GLU  41 -21.752 -11.707   2.291
  320    HG3  GLU  41           HG3      GLU  41 -22.692 -11.362   0.851
  321    H    PHE  42           H        PHE  42 -22.535 -14.731  -1.814
  322    HA   PHE  42           HA       PHE  42 -23.409 -12.423  -3.161
  323    HB2  PHE  42           HB2      PHE  42 -23.114 -13.694  -5.199
  324    HB3  PHE  42           HB3      PHE  42 -21.815 -14.044  -4.091
  325    HD1  PHE  42           HD2      PHE  42 -24.934 -15.377  -5.640
  326    HD2  PHE  42           HD1      PHE  42 -21.447 -16.331  -3.279
  327    HE1  PHE  42           HE2      PHE  42 -25.395 -17.794  -5.922
  328    HE2  PHE  42           HE1      PHE  42 -21.918 -18.737  -3.560
  329    HZ   PHE  42           HZ       PHE  42 -23.894 -19.483  -4.878
  330    HA   PRO  43           HA       PRO  43 -24.413 -11.950  -5.396
  331    HB2  PRO  43           HB2      PRO  43 -26.377 -10.208  -6.100
  332    HB3  PRO  43           HB3      PRO  43 -26.268 -11.863  -6.770
  333    HG2  PRO  43           HG2      PRO  43 -27.993 -10.913  -4.464
  334    HG3  PRO  43           HG3      PRO  43 -28.484 -11.887  -5.888
  335    HD2  PRO  43           HD2      PRO  43 -27.857 -13.036  -3.489
  336    HD3  PRO  43           HD3      PRO  43 -27.439 -13.825  -5.037
  337    H    PHE  44           H        PHE  44 -23.744  -9.710  -5.300
  338    HA   PHE  44           HA       PHE  44 -24.394  -8.069  -2.960
  339    HB2  PHE  44           HB2      PHE  44 -22.202  -7.983  -2.066
  340    HB3  PHE  44           HB3      PHE  44 -22.723  -9.650  -2.065
  341    HD1  PHE  44           HD1      PHE  44 -21.850 -11.170  -4.070
  342    HD2  PHE  44           HD2      PHE  44 -20.055  -7.438  -2.865
  343    HE1  PHE  44           HE1      PHE  44 -19.714 -11.864  -5.096
  344    HE2  PHE  44           HE2      PHE  44 -17.928  -8.130  -3.922
  345    HZ   PHE  44           HZ       PHE  44 -17.736 -10.359  -5.007
  346    H    MET  45           H        MET  45 -22.255  -6.232  -3.288
  347    HA   MET  45           HA       MET  45 -22.289  -5.606  -6.180
  348    HB2  MET  45           HB2      MET  45 -23.050  -3.442  -5.970
  349    HB3  MET  45           HB3      MET  45 -24.181  -4.394  -5.028
  350    HG2  MET  45           HG2      MET  45 -23.476  -3.500  -3.004
  351    HG3  MET  45           HG3      MET  45 -21.866  -3.106  -3.583
  352    HE1  MET  45           HE1      MET  45 -22.242  -1.381  -6.267
  353    HE2  MET  45           HE2      MET  45 -22.194   0.212  -5.487
  354    HE3  MET  45           HE3      MET  45 -21.121  -1.082  -4.928
  355    H    GLY  46           H        GLY  46 -20.846  -3.794  -6.752
  356    HA2  GLY  46           HA2      GLY  46 -18.627  -3.186  -4.937
  357    HA3  GLY  46           HA3      GLY  46 -18.218  -4.352  -6.208
  358    H    LYS  47           H        LYS  47 -16.765  -2.338  -6.341
  359    HA   LYS  47           HA       LYS  47 -17.791  -0.748  -8.653
  360    HB2  LYS  47           HB2      LYS  47 -17.080   0.525  -6.487
  361    HB3  LYS  47           HB3      LYS  47 -15.447  -0.005  -6.849
  362    HG2  LYS  47           HG2      LYS  47 -15.537   2.125  -7.822
  363    HG3  LYS  47           HG3      LYS  47 -15.843   1.064  -9.200
  364    HD2  LYS  47           HD2      LYS  47 -17.452   2.789  -9.385
  365    HD3  LYS  47           HD3      LYS  47 -18.341   1.409  -8.746
  366    HE2  LYS  47           HE2      LYS  47 -18.334   2.344  -6.510
  367    HE3  LYS  47           HE3      LYS  47 -17.211   3.625  -6.993
  368    HZ1  LYS  47           HZ1      LYS  47 -19.567   4.338  -6.887
  369    HZ2  LYS  47           HZ2      LYS  47 -18.905   4.592  -8.353
  370    HZ3  LYS  47           HZ3      LYS  47 -19.935   3.347  -8.144
  371    H    TRP  48           H        TRP  48 -16.963  -1.533 -10.498
  372    HA   TRP  48           HA       TRP  48 -14.525  -3.210 -10.508
  373    HB2  TRP  48           HB2      TRP  48 -16.477  -3.744 -11.973
  374    HB3  TRP  48           HB3      TRP  48 -16.274  -2.208 -12.787
  375    HD1  TRP  48           HD1      TRP  48 -12.842  -3.210 -12.514
  376    HE1  TRP  48           HE1      TRP  48 -11.980  -4.497 -14.475
  377    HE3  TRP  48           HE3      TRP  48 -17.338  -4.454 -14.646
  378    HZ2  TRP  48           HZ2      TRP  48 -13.079  -6.089 -16.650
  379    HZ3  TRP  48           HZ3      TRP  48 -17.378  -5.891 -16.669
  380    HH2  TRP  48           HH2      TRP  48 -15.251  -6.729 -17.656
  381    H    LYS  49           H        LYS  49 -12.726  -2.080 -10.179
  382    HA   LYS  49           HA       LYS  49 -12.480   0.777 -10.732
  383    HB2  LYS  49           HB2      LYS  49 -10.378  -1.223  -9.780
  384    HB3  LYS  49           HB3      LYS  49 -10.355   0.521  -9.549
  385    HG2  LYS  49           HG2      LYS  49 -12.318  -1.430  -8.245
  386    HG3  LYS  49           HG3      LYS  49 -10.855  -0.850  -7.503
  387    HD2  LYS  49           HD2      LYS  49 -13.038   1.087  -8.385
  388    HD3  LYS  49           HD3      LYS  49 -13.063   0.237  -6.835
  389    HE2  LYS  49           HE2      LYS  49 -10.673   1.105  -6.463
  390    HE3  LYS  49           HE3      LYS  49 -10.975   2.221  -7.804
  391    HZ1  LYS  49           HZ1      LYS  49 -12.779   3.176  -6.557
  392    HZ2  LYS  49           HZ2      LYS  49 -12.642   2.018  -5.354
  393    HZ3  LYS  49           HZ3      LYS  49 -11.470   3.140  -5.586
  394    H    LYS  50           H        LYS  50 -13.011  -0.214 -13.176
  395    HA   LYS  50           HA       LYS  50 -11.079  -1.829 -14.468
  396    HB2  LYS  50           HB2      LYS  50 -13.354  -1.616 -15.266
  397    HB3  LYS  50           HB3      LYS  50 -13.153   0.111 -15.579
  398    HG2  LYS  50           HG2      LYS  50 -11.570  -0.283 -17.356
  399    HG3  LYS  50           HG3      LYS  50 -11.461  -2.006 -16.972
  400    HD2  LYS  50           HD2      LYS  50 -13.963  -0.579 -17.993
  401    HD3  LYS  50           HD3      LYS  50 -12.821  -1.488 -18.996
  402    HE2  LYS  50           HE2      LYS  50 -13.279  -3.533 -17.604
  403    HE3  LYS  50           HE3      LYS  50 -14.518  -2.628 -16.727
  404    HZ1  LYS  50           HZ1      LYS  50 -14.554  -3.234 -19.628
  405    HZ2  LYS  50           HZ2      LYS  50 -15.494  -3.924 -18.488
  406    HZ3  LYS  50           HZ3      LYS  50 -15.689  -2.346 -18.857
  407    H    LYS  51           H        LYS  51  -9.008  -1.381 -14.967
  408    HA   LYS  51           HA       LYS  51  -7.983   1.330 -15.259
  409    HB2  LYS  51           HB2      LYS  51  -6.883  -1.398 -16.074
  410    HB3  LYS  51           HB3      LYS  51  -6.035   0.132 -16.367
  411    HG2  LYS  51           HG2      LYS  51  -6.060   0.630 -13.934
  412    HG3  LYS  51           HG3      LYS  51  -6.874  -0.916 -13.625
  413    HD2  LYS  51           HD2      LYS  51  -4.935  -2.131 -14.589
  414    HD3  LYS  51           HD3      LYS  51  -4.118  -0.580 -14.893
  415    HE2  LYS  51           HE2      LYS  51  -4.183  -0.073 -12.460
  416    HE3  LYS  51           HE3      LYS  51  -4.999  -1.612 -12.156
  417    HZ1  LYS  51           HZ1      LYS  51  -3.022  -2.749 -12.987
  418    HZ2  LYS  51           HZ2      LYS  51  -2.266  -1.326 -13.269
  419    HZ3  LYS  51           HZ3      LYS  51  -2.629  -1.772 -11.746
  420    H    SER  52           H        SER  52  -8.488   2.635 -16.943
  421    HA   SER  52           HA       SER  52  -9.877   1.392 -19.242
  422    HB2  SER  52           HB2      SER  52 -10.880   3.691 -19.370
  423    HB3  SER  52           HB3      SER  52 -11.192   2.806 -17.867
  424    HG   SER  52           HG       SER  52 -10.552   4.992 -17.508
  425    H    ARG  53           H        ARG  53  -6.882   3.129 -18.627
  426    HA   ARG  53           HA       ARG  53  -6.398   3.239 -21.530
  427    HB2  ARG  53           HB2      ARG  53  -6.266   5.723 -19.745
  428    HB3  ARG  53           HB3      ARG  53  -5.468   5.581 -21.299
  429    HG2  ARG  53           HG2      ARG  53  -7.288   6.724 -21.946
  430    HG3  ARG  53           HG3      ARG  53  -7.850   5.086 -22.256
  431    HD2  ARG  53           HD2      ARG  53  -9.085   5.179 -20.032
  432    HD3  ARG  53           HD3      ARG  53  -8.462   6.802 -19.800
  433    HE   ARG  53           HE       ARG  53 -10.032   7.633 -21.210
  434   HH11  ARG  53          HH11      ARG  53  -9.901   4.109 -21.809
  435   HH12  ARG  53          HH12      ARG  53 -11.338   4.105 -22.769
  436   HH21  ARG  53          HH21      ARG  53 -11.918   7.592 -22.502
  437   HH22  ARG  53          HH22      ARG  53 -12.493   6.118 -23.179
  438    H    LYS  54           H        LYS  54  -4.102   3.556 -21.987
  439    HA   LYS  54           HA       LYS  54  -2.384   2.087 -20.257
  440    HB2  LYS  54           HB2      LYS  54  -1.657   3.997 -22.525
  441    HB3  LYS  54           HB3      LYS  54  -0.582   2.802 -21.809
  442    HG2  LYS  54           HG2      LYS  54  -3.114   2.198 -23.398
  443    HG3  LYS  54           HG3      LYS  54  -1.449   2.044 -23.958
  444    HD2  LYS  54           HD2      LYS  54  -1.035   0.310 -22.196
  445    HD3  LYS  54           HD3      LYS  54  -2.752   0.407 -21.736
  446    HE2  LYS  54           HE2      LYS  54  -3.408  -0.219 -24.046
  447    HE3  LYS  54           HE3      LYS  54  -1.705  -0.317 -24.508
  448    HZ1  LYS  54           HZ1      LYS  54  -3.019  -2.037 -22.484
  449    HZ2  LYS  54           HZ2      LYS  54  -2.604  -2.491 -23.991
  450    HZ3  LYS  54           HZ3      LYS  54  -1.442  -2.125 -22.911
  451    H    THR  55           H        THR  55  -3.213   5.491 -20.198
  452    HA   THR  55           HA       THR  55  -1.021   6.439 -18.637
  453    HB   THR  55           HB       THR  55  -2.948   8.202 -18.119
  454    HG1  THR  55           HG1      THR  55  -4.785   7.394 -18.837
  455   HG21  THR  55          HG21      THR  55  -1.936   7.701 -20.958
  456   HG22  THR  55          HG22      THR  55  -2.597   9.228 -20.331
  457   HG23  THR  55          HG23      THR  55  -1.077   8.593 -19.684
  458    H    SER  56           H        SER  56  -3.045   3.954 -17.795
  459    HA   SER  56           HA       SER  56  -3.731   2.983 -15.944
  460    HB2  SER  56           HB2      SER  56  -1.888   4.821 -14.376
  461    HB3  SER  56           HB3      SER  56  -2.596   3.295 -13.831
  462    HG   SER  56           HG       SER  56  -0.825   3.622 -16.040
  463    H    THR  57           H        THR  57  -5.078   5.380 -17.067
  464    HA   THR  57           HA       THR  57  -6.532   6.694 -14.973
  465    HB   THR  57           HB       THR  57  -7.461   5.986 -17.773
  466    HG1  THR  57           HG1      THR  57  -5.826   8.170 -16.986
  467   HG21  THR  57          HG21      THR  57  -8.089   8.349 -15.950
  468   HG22  THR  57          HG22      THR  57  -8.587   8.219 -17.654
  469   HG23  THR  57          HG23      THR  57  -9.206   7.068 -16.464
  470    H    ILE  58           H        ILE  58  -8.709   6.120 -14.260
  471    HA   ILE  58           HA       ILE  58  -9.460   3.286 -14.674
  472    HB   ILE  58           HB       ILE  58  -9.224   4.834 -12.081
  473   HG12  ILE  58          HG12      ILE  58  -8.053   2.219 -13.134
  474   HG13  ILE  58          HG13      ILE  58  -7.196   3.740 -12.872
  475   HG21  ILE  58          HG21      ILE  58 -11.399   3.737 -11.990
  476   HG22  ILE  58          HG22      ILE  58 -10.688   2.218 -12.552
  477   HG23  ILE  58          HG23      ILE  58 -10.292   2.877 -10.943
  478   HD11  ILE  58          HD11      ILE  58  -7.677   3.514 -10.408
  479   HD12  ILE  58          HD12      ILE  58  -8.294   1.874 -10.753
  480   HD13  ILE  58          HD13      ILE  58  -6.607   2.273 -11.100
  481    H    GLU  59           H        GLU  59 -11.522   2.849 -14.893
  482    HA   GLU  59           HA       GLU  59 -13.578   5.011 -14.831
  483    HB2  GLU  59           HB2      GLU  59 -13.242   2.480 -16.490
  484    HB3  GLU  59           HB3      GLU  59 -14.848   3.130 -16.172
  485    HG2  GLU  59           HG2      GLU  59 -12.631   4.810 -17.408
  486    HG3  GLU  59           HG3      GLU  59 -13.747   3.838 -18.360
  487    H    GLU  60           H        GLU  60 -14.369   4.898 -12.808
  488    HA   GLU  60           HA       GLU  60 -14.452   2.371 -11.300
  489    HB2  GLU  60           HB2      GLU  60 -15.299   5.225 -10.603
  490    HB3  GLU  60           HB3      GLU  60 -15.373   3.836  -9.515
  491    HG2  GLU  60           HG2      GLU  60 -12.865   3.536  -9.891
  492    HG3  GLU  60           HG3      GLU  60 -12.876   5.100 -10.716
  493    H    LYS  61           H        LYS  61 -15.931   1.062 -12.340
  494    HA   LYS  61           HA       LYS  61 -18.582   2.173 -13.129
  495    HB2  LYS  61           HB2      LYS  61 -17.274   0.952 -14.806
  496    HB3  LYS  61           HB3      LYS  61 -17.161  -0.452 -13.738
  497    HG2  LYS  61           HG2      LYS  61 -19.562  -0.818 -13.844
  498    HG3  LYS  61           HG3      LYS  61 -19.794   0.652 -14.786
  499    HD2  LYS  61           HD2      LYS  61 -18.025  -1.662 -15.712
  500    HD3  LYS  61           HD3      LYS  61 -19.744  -1.622 -16.048
  501    HE2  LYS  61           HE2      LYS  61 -17.733   0.496 -16.942
  502    HE3  LYS  61           HE3      LYS  61 -18.383  -0.801 -17.949
  503    HZ1  LYS  61           HZ1      LYS  61 -20.604   0.142 -17.642
  504    HZ2  LYS  61           HZ2      LYS  61 -19.998   1.367 -16.747
  505    HZ3  LYS  61           HZ3      LYS  61 -19.588   1.237 -18.328
  506    H    THR  62           H        THR  62 -20.196   1.983 -11.577
  507    HA   THR  62           HA       THR  62 -19.976   0.167  -9.363
  508    HB   THR  62           HB       THR  62 -22.507   1.508 -10.386
  509    HG1  THR  62           HG1      THR  62 -21.792   3.377  -9.665
  510   HG21  THR  62          HG21      THR  62 -21.443   0.964  -7.572
  511   HG22  THR  62          HG22      THR  62 -23.021   1.678  -7.981
  512   HG23  THR  62          HG23      THR  62 -22.679  -0.010  -8.394
  513    H    VAL  63           H        VAL  63 -20.636  -1.908  -9.178
  514    HA   VAL  63           HA       VAL  63 -22.292  -3.096 -11.356
  515    HB   VAL  63           HB       VAL  63 -20.740  -5.046 -11.373
  516   HG11  VAL  63          HG11      VAL  63 -19.122  -4.126 -12.899
  517   HG12  VAL  63          HG12      VAL  63 -20.659  -3.285 -13.142
  518   HG13  VAL  63          HG13      VAL  63 -19.341  -2.492 -12.253
  519   HG21  VAL  63          HG21      VAL  63 -18.430  -4.847 -10.610
  520   HG22  VAL  63          HG22      VAL  63 -18.746  -3.234  -9.945
  521   HG23  VAL  63          HG23      VAL  63 -19.524  -4.664  -9.234
  522    H    GLU  64           H        GLU  64 -23.459  -4.907 -10.831
  523    HA   GLU  64           HA       GLU  64 -23.719  -5.573  -7.921
  524    HB2  GLU  64           HB2      GLU  64 -25.836  -5.002  -9.031
  525    HB3  GLU  64           HB3      GLU  64 -25.526  -6.186 -10.306
  526    HG2  GLU  64           HG2      GLU  64 -25.655  -8.017  -8.660
  527    HG3  GLU  64           HG3      GLU  64 -25.816  -6.846  -7.347
  528    H    VAL  65           H        VAL  65 -22.913  -7.590  -7.351
  529    HA   VAL  65           HA       VAL  65 -21.460  -9.076  -9.485
  530    HB   VAL  65           HB       VAL  65 -20.854  -9.041  -6.508
  531   HG11  VAL  65          HG11      VAL  65 -19.264  -9.848  -8.989
  532   HG12  VAL  65          HG12      VAL  65 -18.632  -9.868  -7.334
  533   HG13  VAL  65          HG13      VAL  65 -19.952 -10.958  -7.784
  534   HG21  VAL  65          HG21      VAL  65 -19.556  -7.301  -8.652
  535   HG22  VAL  65          HG22      VAL  65 -20.534  -6.728  -7.291
  536   HG23  VAL  65          HG23      VAL  65 -18.985  -7.504  -6.985
  537    H    LEU  66           H        LEU  66 -22.572 -10.800 -10.093
  538    HA   LEU  66           HA       LEU  66 -24.877 -11.674  -8.582
  539    HB2  LEU  66           HB2      LEU  66 -23.562 -12.737 -11.124
  540    HB3  LEU  66           HB3      LEU  66 -25.017 -13.412 -10.428
  541    HG   LEU  66           HG       LEU  66 -25.667 -12.075 -12.237
  542   HD11  LEU  66          HD11      LEU  66 -27.114 -11.954 -10.210
  543   HD12  LEU  66          HD12      LEU  66 -26.318 -10.426  -9.761
  544   HD13  LEU  66          HD13      LEU  66 -27.249 -10.536 -11.263
  545   HD21  LEU  66          HD21      LEU  66 -25.205  -9.754 -12.576
  546   HD22  LEU  66          HD22      LEU  66 -24.331  -9.620 -11.045
  547   HD23  LEU  66          HD23      LEU  66 -23.668 -10.603 -12.376
  548    H    GLY  67           H        GLY  67 -21.558 -12.874  -8.972
  549    HA2  GLY  67           HA2      GLY  67 -21.287 -14.513  -6.841
  550    HA3  GLY  67           HA3      GLY  67 -22.119 -15.543  -8.031
  551    H    MET  68           H        MET  68 -19.820 -16.522  -7.613
  552    HA   MET  68           HA       MET  68 -17.600 -15.464  -9.145
  553    HB2  MET  68           HB2      MET  68 -18.226 -18.304  -8.246
  554    HB3  MET  68           HB3      MET  68 -16.709 -17.778  -8.974
  555    HG2  MET  68           HG2      MET  68 -17.831 -16.793  -6.327
  556    HG3  MET  68           HG3      MET  68 -16.562 -17.991  -6.524
  557    HE1  MET  68           HE1      MET  68 -13.497 -15.933  -7.754
  558    HE2  MET  68           HE2      MET  68 -14.098 -17.519  -7.225
  559    HE3  MET  68           HE3      MET  68 -14.633 -16.831  -8.777
  560    H    ALA  69           H        ALA  69 -16.794 -16.294 -11.105
  561    HA   ALA  69           HA       ALA  69 -18.713 -16.590 -13.233
  562    HB1  ALA  69           HB1      ALA  69 -16.517 -15.401 -13.339
  563    HB2  ALA  69           HB2      ALA  69 -15.696 -16.977 -13.167
  564    HB3  ALA  69           HB3      ALA  69 -16.659 -16.605 -14.603
  565    HA   PRO  70           HA       PRO  70 -18.911 -21.053 -13.994
  566    HB2  PRO  70           HB2      PRO  70 -17.125 -20.560 -16.381
  567    HB3  PRO  70           HB3      PRO  70 -18.553 -21.640 -16.246
  568    HG2  PRO  70           HG2      PRO  70 -18.852 -19.213 -17.375
  569    HG3  PRO  70           HG3      PRO  70 -20.050 -19.752 -16.149
  570    HD2  PRO  70           HD2      PRO  70 -17.683 -17.923 -15.808
  571    HD3  PRO  70           HD3      PRO  70 -19.346 -17.711 -15.178
  572    H    ASP  71           H        ASP  71 -17.801 -22.945 -13.716
  573    HA   ASP  71           HA       ASP  71 -15.620 -23.029 -12.011
  574    HB2  ASP  71           HB2      ASP  71 -17.260 -24.888 -12.587
  575    HB3  ASP  71           HB3      ASP  71 -16.339 -25.150 -14.077
  576    H    ASP  72           H        ASP  72 -15.708 -23.146 -15.542
  577    HA   ASP  72           HA       ASP  72 -12.948 -23.905 -15.939
  578    HB2  ASP  72           HB2      ASP  72 -14.692 -24.360 -17.606
  579    HB3  ASP  72           HB3      ASP  72 -14.962 -22.629 -17.829
  580    H    GLU  73           H        GLU  73 -14.594 -20.774 -15.574
  581    HA   GLU  73           HA       GLU  73 -12.273 -19.239 -16.525
  582    HB2  GLU  73           HB2      GLU  73 -14.837 -18.437 -15.104
  583    HB3  GLU  73           HB3      GLU  73 -13.565 -17.302 -15.553
  584    HG2  GLU  73           HG2      GLU  73 -15.071 -19.061 -17.541
  585    HG3  GLU  73           HG3      GLU  73 -15.480 -17.397 -17.157
  586    H    CYS  74           H        CYS  74 -13.767 -20.249 -13.461
  587    HA   CYS  74           HA       CYS  74 -11.820 -18.922 -11.816
  588    HB2  CYS  74           HB2      CYS  74 -13.799 -21.133 -11.149
  589    HB3  CYS  74           HB3      CYS  74 -12.879 -20.152  -9.989
  590    HG   CYS  74           HG       CYS  74 -15.233 -19.346 -12.147
  591    H    LEU  75           H        LEU  75 -11.316 -21.430 -13.835
  592    HA   LEU  75           HA       LEU  75  -9.872 -23.238 -12.138
  593    HB2  LEU  75           HB2      LEU  75 -11.313 -23.571 -14.331
  594    HB3  LEU  75           HB3      LEU  75  -9.831 -23.151 -15.171
  595    HG   LEU  75           HG       LEU  75  -8.752 -25.088 -14.418
  596   HD11  LEU  75          HD11      LEU  75  -9.383 -25.324 -12.085
  597   HD12  LEU  75          HD12      LEU  75 -11.097 -25.568 -12.534
  598   HD13  LEU  75          HD13      LEU  75  -9.868 -26.796 -12.916
  599   HD21  LEU  75          HD21      LEU  75 -11.656 -25.810 -15.038
  600   HD22  LEU  75          HD22      LEU  75 -10.428 -25.351 -16.240
  601   HD23  LEU  75          HD23      LEU  75 -10.235 -26.848 -15.315
  602    H    LYS  76           H        LYS  76  -9.038 -20.250 -13.556
  603    HA   LYS  76           HA       LYS  76  -6.163 -20.915 -13.245
  604    HB2  LYS  76           HB2      LYS  76  -5.590 -19.679 -15.286
  605    HB3  LYS  76           HB3      LYS  76  -6.483 -21.150 -15.614
  606    HG2  LYS  76           HG2      LYS  76  -8.033 -18.551 -15.454
  607    HG3  LYS  76           HG3      LYS  76  -6.981 -18.821 -16.839
  608    HD2  LYS  76           HD2      LYS  76  -8.143 -20.884 -17.424
  609    HD3  LYS  76           HD3      LYS  76  -9.198 -20.735 -16.004
  610    HE2  LYS  76           HE2      LYS  76 -10.125 -18.643 -16.837
  611    HE3  LYS  76           HE3      LYS  76  -9.010 -18.633 -18.210
  612    HZ1  LYS  76           HZ1      LYS  76 -11.316 -19.445 -18.675
  613    HZ2  LYS  76           HZ2      LYS  76 -10.131 -20.496 -19.140
  614    HZ3  LYS  76           HZ3      LYS  76 -11.003 -20.776 -17.773
  615    H    ASP  77           H        ASP  77  -8.702 -18.557 -12.956
  616    HA   ASP  77           HA       ASP  77  -7.059 -16.836 -11.298
  617    HB2  ASP  77           HB2      ASP  77  -6.478 -15.973 -13.532
  618    HB3  ASP  77           HB3      ASP  77  -8.182 -15.860 -13.955
  619    H    MET  78           H        MET  78  -8.577 -15.181 -10.235
  620    HA   MET  78           HA       MET  78 -11.187 -16.526  -9.790
  621    HB2  MET  78           HB2      MET  78  -9.802 -14.218  -8.374
  622    HB3  MET  78           HB3      MET  78 -11.417 -14.797  -7.972
  623    HG2  MET  78           HG2      MET  78  -8.857 -16.432  -7.795
  624    HG3  MET  78           HG3      MET  78  -9.736 -15.702  -6.461
  625    HE1  MET  78           HE1      MET  78  -8.948 -18.925  -8.043
  626    HE2  MET  78           HE2      MET  78 -10.475 -19.784  -8.326
  627    HE3  MET  78           HE3      MET  78 -10.022 -18.428  -9.371
  628    H    TYR  79           H        TYR  79 -12.958 -15.930 -10.921
  629    HA   TYR  79           HA       TYR  79 -13.186 -13.138 -11.935
  630    HB2  TYR  79           HB2      TYR  79 -13.801 -15.800 -13.266
  631    HB3  TYR  79           HB3      TYR  79 -14.457 -14.278 -13.830
  632    HD1  TYR  79           HD1      TYR  79 -12.970 -12.516 -14.792
  633    HD2  TYR  79           HD2      TYR  79 -11.597 -16.500 -13.899
  634    HE1  TYR  79           HE1      TYR  79 -11.118 -12.220 -16.395
  635    HE2  TYR  79           HE2      TYR  79  -9.775 -16.248 -15.546
  636    HH   TYR  79           HH       TYR  79  -9.271 -13.221 -17.426
  637    H    VAL  80           H        VAL  80 -15.334 -12.347 -12.059
  638    HA   VAL  80           HA       VAL  80 -17.462 -13.927 -10.689
  639    HB   VAL  80           HB       VAL  80 -18.109 -11.710  -9.654
  640   HG11  VAL  80          HG11      VAL  80 -16.591 -11.925  -7.743
  641   HG12  VAL  80          HG12      VAL  80 -17.142 -13.495  -8.311
  642   HG13  VAL  80          HG13      VAL  80 -15.498 -12.948  -8.703
  643   HG21  VAL  80          HG21      VAL  80 -15.211 -10.900 -10.189
  644   HG22  VAL  80          HG22      VAL  80 -16.621 -10.214 -11.021
  645   HG23  VAL  80          HG23      VAL  80 -16.432  -9.996  -9.277
  646    H    GLU  81           H        GLU  81 -19.570 -13.474 -11.358
  647    HA   GLU  81           HA       GLU  81 -19.818 -12.208 -14.044
  648    HB2  GLU  81           HB2      GLU  81 -21.750 -13.768 -12.277
  649    HB3  GLU  81           HB3      GLU  81 -22.254 -12.888 -13.731
  650    HG2  GLU  81           HG2      GLU  81 -20.610 -14.211 -15.075
  651    HG3  GLU  81           HG3      GLU  81 -20.228 -15.151 -13.634
  652    H    VAL  82           H        VAL  82 -20.798 -10.210 -14.319
  653    HA   VAL  82           HA       VAL  82 -21.725  -8.777 -11.917
  654    HB   VAL  82           HB       VAL  82 -20.268  -6.848 -12.713
  655   HG11  VAL  82          HG11      VAL  82 -18.330  -7.586 -11.479
  656   HG12  VAL  82          HG12      VAL  82 -19.799  -8.186 -10.704
  657   HG13  VAL  82          HG13      VAL  82 -18.790  -9.290 -11.662
  658   HG21  VAL  82          HG21      VAL  82 -19.647  -7.788 -14.964
  659   HG22  VAL  82          HG22      VAL  82 -18.270  -7.273 -13.987
  660   HG23  VAL  82          HG23      VAL  82 -18.647  -9.002 -14.139
  661    H    ALA  83           H        ALA  83 -23.238  -7.249 -12.291
  662    HA   ALA  83           HA       ALA  83 -24.116  -6.812 -15.121
  663    HB1  ALA  83           HB1      ALA  83 -26.306  -6.193 -14.144
  664    HB2  ALA  83           HB2      ALA  83 -25.865  -7.874 -13.800
  665    HB3  ALA  83           HB3      ALA  83 -25.702  -6.636 -12.531
  666    H    ASP  84           H        ASP  84 -24.139  -4.748 -15.879
  667    HA   ASP  84           HA       ASP  84 -22.512  -2.822 -14.412
  668    HB2  ASP  84           HB2      ASP  84 -22.145  -3.302 -16.793
  669    HB3  ASP  84           HB3      ASP  84 -23.774  -2.721 -17.171
  670    H    ILE  85           H        ILE  85 -24.346  -2.798 -12.734
  671    HA   ILE  85           HA       ILE  85 -26.744  -1.364 -13.230
  672    HB   ILE  85           HB       ILE  85 -26.911  -1.064 -10.844
  673   HG12  ILE  85          HG12      ILE  85 -24.078  -2.111 -10.600
  674   HG13  ILE  85          HG13      ILE  85 -24.554  -0.435 -10.347
  675   HG21  ILE  85          HG21      ILE  85 -25.754  -3.827 -11.392
  676   HG22  ILE  85          HG22      ILE  85 -27.038  -3.377 -10.248
  677   HG23  ILE  85          HG23      ILE  85 -27.339  -3.291 -11.979
  678   HD11  ILE  85          HD11      ILE  85 -24.307  -1.567  -8.200
  679   HD12  ILE  85          HD12      ILE  85 -26.006  -1.119  -8.456
  680   HD13  ILE  85          HD13      ILE  85 -25.471  -2.802  -8.662
  681    H    GLY  86           H        GLY  86 -23.562  -0.156 -13.306
  682    HA2  GLY  86           HA2      GLY  86 -24.268   2.621 -12.624
  683    HA3  GLY  86           HA3      GLY  86 -22.684   1.972 -13.066
  684    H    GLY  87           H        GLY  87 -24.303   0.617 -15.485
  685    HA2  GLY  87           HA2      GLY  87 -24.299   3.050 -17.246
  686    HA3  GLY  87           HA3      GLY  87 -23.270   1.642 -17.526
  687    H    LYS  88           H        LYS  88 -25.544  -0.261 -16.778
  688    HA   LYS  88           HA       LYS  88 -27.315   0.108 -19.159
  689    HB2  LYS  88           HB2      LYS  88 -25.666  -2.381 -18.519
  690    HB3  LYS  88           HB3      LYS  88 -26.917  -2.297 -19.747
  691    HG2  LYS  88           HG2      LYS  88 -24.346  -0.656 -19.791
  692    HG3  LYS  88           HG3      LYS  88 -24.608  -2.175 -20.641
  693    HD2  LYS  88           HD2      LYS  88 -26.444  -1.177 -21.956
  694    HD3  LYS  88           HD3      LYS  88 -26.212   0.374 -21.124
  695    HE2  LYS  88           HE2      LYS  88 -23.873   0.472 -21.954
  696    HE3  LYS  88           HE3      LYS  88 -24.105  -1.066 -22.794
  697    HZ1  LYS  88           HZ1      LYS  88 -25.807   0.008 -24.152
  698    HZ2  LYS  88           HZ2      LYS  88 -25.593   1.431 -23.373
  699    HZ3  LYS  88           HZ3      LYS  88 -24.396   0.808 -24.283
  700    H    ASP  89           H        ASP  89 -26.611  -1.651 -16.171
  701    HA   ASP  89           HA       ASP  89 -27.723  -2.739 -14.638
  702    HB2  ASP  89           HB2      ASP  89 -28.937  -0.707 -14.279
  703    HB3  ASP  89           HB3      ASP  89 -30.069  -1.070 -15.578
  704    H    ASP  90           H        ASP  90 -29.322  -2.947 -17.786
  705    HA   ASP  90           HA       ASP  90 -30.859  -5.301 -17.075
  706    HB2  ASP  90           HB2      ASP  90 -31.671  -3.354 -18.422
  707    HB3  ASP  90           HB3      ASP  90 -30.526  -3.792 -19.691
  708    H    ASP  91           H        ASP  91 -27.645  -5.175 -17.819
  709    HA   ASP  91           HA       ASP  91 -27.694  -7.781 -19.200
  710    HB2  ASP  91           HB2      ASP  91 -27.427  -5.884 -20.910
  711    HB3  ASP  91           HB3      ASP  91 -25.855  -5.580 -20.152
  712    H    VAL  92           H        VAL  92 -25.515  -8.760 -19.218
  713    HA   VAL  92           HA       VAL  92 -24.037  -8.216 -16.709
  714    HB   VAL  92           HB       VAL  92 -25.914  -9.679 -16.214
  715   HG11  VAL  92          HG11      VAL  92 -26.148 -11.934 -17.148
  716   HG12  VAL  92          HG12      VAL  92 -26.329 -10.706 -18.400
  717   HG13  VAL  92          HG13      VAL  92 -24.812 -11.626 -18.276
  718   HG21  VAL  92          HG21      VAL  92 -23.326 -11.267 -16.121
  719   HG22  VAL  92          HG22      VAL  92 -23.895 -10.077 -14.926
  720   HG23  VAL  92          HG23      VAL  92 -24.794 -11.570 -15.172
  721    H    TYR  93           H        TYR  93 -21.994  -9.164 -16.585
  722    HA   TYR  93           HA       TYR  93 -20.644 -10.092 -19.050
  723    HB2  TYR  93           HB2      TYR  93 -19.773  -7.715 -17.343
  724    HB3  TYR  93           HB3      TYR  93 -18.977  -8.315 -18.785
  725    HD1  TYR  93           HD2      TYR  93 -19.904  -7.866 -21.040
  726    HD2  TYR  93           HD1      TYR  93 -21.774  -6.306 -17.476
  727    HE1  TYR  93           HE2      TYR  93 -21.197  -6.268 -22.422
  728    HE2  TYR  93           HE1      TYR  93 -23.087  -4.719 -18.849
  729    HH   TYR  93           HH       TYR  93 -23.526  -3.934 -21.000
  730    H    THR  94           H        THR  94 -18.085 -10.148 -18.099
  731    HA   THR  94           HA       THR  94 -18.145 -11.326 -15.374
  732    HB   THR  94           HB       THR  94 -16.493 -12.349 -17.715
  733    HG1  THR  94           HG1      THR  94 -18.670 -12.891 -17.931
  734   HG21  THR  94          HG21      THR  94 -16.857 -13.453 -14.890
  735   HG22  THR  94          HG22      THR  94 -16.000 -14.269 -16.217
  736   HG23  THR  94          HG23      THR  94 -15.370 -12.755 -15.563
  737    H    ALA  95           H        ALA  95 -16.330 -10.810 -14.133
  738    HA   ALA  95           HA       ALA  95 -14.301  -8.961 -15.271
  739    HB1  ALA  95           HB1      ALA  95 -15.973  -7.515 -14.195
  740    HB2  ALA  95           HB2      ALA  95 -15.906  -8.499 -12.716
  741    HB3  ALA  95           HB3      ALA  95 -14.494  -7.544 -13.222
  742    H    LYS  96           H        LYS  96 -12.315  -8.999 -14.095
  743    HA   LYS  96           HA       LYS  96 -11.775 -11.520 -12.660
  744    HB2  LYS  96           HB2      LYS  96  -9.476 -10.498 -12.394
  745    HB3  LYS  96           HB3      LYS  96  -9.946 -10.976 -14.013
  746    HG2  LYS  96           HG2      LYS  96 -10.398  -8.126 -13.183
  747    HG3  LYS  96           HG3      LYS  96  -8.747  -8.644 -13.507
  748    HD2  LYS  96           HD2      LYS  96  -9.163  -9.046 -15.797
  749    HD3  LYS  96           HD3      LYS  96 -10.896  -9.207 -15.564
  750    HE2  LYS  96           HE2      LYS  96 -10.615  -7.107 -16.633
  751    HE3  LYS  96           HE3      LYS  96 -11.027  -6.772 -14.953
  752    HZ1  LYS  96           HZ1      LYS  96  -8.443  -6.618 -14.714
  753    HZ2  LYS  96           HZ2      LYS  96  -8.481  -6.345 -16.326
  754    HZ3  LYS  96           HZ3      LYS  96  -9.310  -5.361 -15.289
  755    H    LEU  97           H        LEU  97 -11.728 -11.694 -10.464
  756    HA   LEU  97           HA       LEU  97 -13.035  -9.685  -8.903
  757    HB2  LEU  97           HB2      LEU  97 -12.986 -12.118  -8.360
  758    HB3  LEU  97           HB3      LEU  97 -11.255 -12.000  -8.024
  759    HG   LEU  97           HG       LEU  97 -11.701 -10.473  -6.122
  760   HD11  LEU  97          HD11      LEU  97 -13.730  -9.313  -6.810
  761   HD12  LEU  97          HD12      LEU  97 -14.631 -10.844  -6.908
  762   HD13  LEU  97          HD13      LEU  97 -14.102 -10.211  -5.342
  763   HD21  LEU  97          HD21      LEU  97 -12.718 -12.128  -4.649
  764   HD22  LEU  97          HD22      LEU  97 -13.410 -12.984  -6.047
  765   HD23  LEU  97          HD23      LEU  97 -11.647 -12.925  -5.804
  766    H    SER  98           H        SER  98  -9.658 -10.357  -9.662
  767    HA   SER  98           HA       SER  98  -8.221  -8.773  -7.944
  768    HB2  SER  98           HB2      SER  98  -7.777  -9.059 -10.936
  769    HB3  SER  98           HB3      SER  98  -6.549  -8.891  -9.670
  770    HG   SER  98           HG       SER  98  -6.929 -11.092 -10.443
  771    H    ASP  99           H        ASP  99 -10.479  -7.624 -10.409
  772    HA   ASP  99           HA       ASP  99  -9.266  -4.911 -10.283
  773    HB2  ASP  99           HB2      ASP  99  -9.318  -6.278 -12.444
  774    HB3  ASP  99           HB3      ASP  99 -11.067  -6.010 -12.455
  775    H    ILE 100           H        ILE 100 -11.399  -6.363  -8.577
  776    HA   ILE 100           HA       ILE 100 -13.444  -4.194  -8.681
  777    HB   ILE 100           HB       ILE 100 -13.691  -7.149  -8.644
  778   HG12  ILE 100          HG12      ILE 100 -15.574  -4.897  -9.458
  779   HG13  ILE 100          HG13      ILE 100 -14.316  -5.583 -10.508
  780   HG21  ILE 100          HG21      ILE 100 -15.804  -7.296  -7.471
  781   HG22  ILE 100          HG22      ILE 100 -14.570  -6.729  -6.365
  782   HG23  ILE 100          HG23      ILE 100 -15.745  -5.574  -7.047
  783   HD11  ILE 100          HD11      ILE 100 -16.388  -6.526 -11.143
  784   HD12  ILE 100          HD12      ILE 100 -15.473  -7.807 -10.316
  785   HD13  ILE 100          HD13      ILE 100 -16.811  -6.965  -9.480
  786    H    GLU 101           H        GLU 101 -14.333  -3.533  -6.848
  787    HA   GLU 101           HA       GLU 101 -12.955  -4.081  -4.261
  788    HB2  GLU 101           HB2      GLU 101 -12.292  -1.899  -5.136
  789    HB3  GLU 101           HB3      GLU 101 -13.980  -1.468  -5.458
  790    HG2  GLU 101           HG2      GLU 101 -14.495  -1.400  -3.092
  791    HG3  GLU 101           HG3      GLU 101 -12.930  -2.104  -2.681
  792    H    ALA 102           H        ALA 102 -14.405  -4.995  -2.878
  793    HA   ALA 102           HA       ALA 102 -17.208  -5.244  -3.704
  794    HB1  ALA 102           HB1      ALA 102 -15.817  -6.224  -1.169
  795    HB2  ALA 102           HB2      ALA 102 -17.398  -6.736  -1.800
  796    HB3  ALA 102           HB3      ALA 102 -15.920  -7.118  -2.703
  797    H    ILE 103           H        ILE 103 -18.934  -4.246  -2.800
  798    HA   ILE 103           HA       ILE 103 -18.539  -2.315  -0.556
  799    HB   ILE 103           HB       ILE 103 -19.874  -1.945  -3.251
  800   HG12  ILE 103          HG12      ILE 103 -17.699  -0.292  -1.883
  801   HG13  ILE 103          HG13      ILE 103 -17.377  -1.554  -3.071
  802   HG21  ILE 103          HG21      ILE 103 -20.635   0.293  -2.522
  803   HG22  ILE 103          HG22      ILE 103 -21.385  -0.959  -1.569
  804   HG23  ILE 103          HG23      ILE 103 -20.032  -0.029  -0.882
  805   HD11  ILE 103          HD11      ILE 103 -18.737  -0.354  -4.744
  806   HD12  ILE 103          HD12      ILE 103 -18.869   1.017  -3.608
  807   HD13  ILE 103          HD13      ILE 103 -17.279   0.514  -4.197
  808    H    ASP 104           H        ASP 104 -20.253  -2.144   0.848
  809    HA   ASP 104           HA       ASP 104 -22.025  -2.787   2.048
  810    HB2  ASP 104           HB2      ASP 104 -23.035  -1.369   0.308
  811    HB3  ASP 104           HB3      ASP 104 -23.407  -2.803  -0.650
  812    H    VAL 105           H        VAL 105 -20.323  -4.931   1.549
  813    HA   VAL 105           HA       VAL 105 -22.241  -7.215   1.576
  814    HB   VAL 105           HB       VAL 105 -20.550  -7.001  -0.345
  815   HG11  VAL 105          HG11      VAL 105 -18.319  -7.879  -0.018
  816   HG12  VAL 105          HG12      VAL 105 -18.537  -6.402   0.930
  817   HG13  VAL 105          HG13      VAL 105 -18.577  -7.988   1.728
  818   HG21  VAL 105          HG21      VAL 105 -20.599  -9.594   1.191
  819   HG22  VAL 105          HG22      VAL 105 -21.894  -8.982   0.161
  820   HG23  VAL 105          HG23      VAL 105 -20.320  -9.347  -0.549
  821    H    ASP 106           H        ASP 106 -21.427  -9.085   2.955
  822    HA   ASP 106           HA       ASP 106 -21.101  -8.162   5.639
  823    HB2  ASP 106           HB2      ASP 106 -22.210 -10.284   5.077
  824    HB3  ASP 106           HB3      ASP 106 -20.667 -10.933   4.481
  825    H    ASP 107           H        ASP 107 -19.381  -8.520   7.074
  826    HA   ASP 107           HA       ASP 107 -16.866  -7.588   6.218
  827    HB2  ASP 107           HB2      ASP 107 -17.683  -7.363   8.512
  828    HB3  ASP 107           HB3      ASP 107 -17.660  -9.115   8.725
  829    H    ASP 108           H        ASP 108 -17.976 -11.005   6.706
  830    HA   ASP 108           HA       ASP 108 -15.266 -11.993   6.433
  831    HB2  ASP 108           HB2      ASP 108 -17.203 -13.127   7.651
  832    HB3  ASP 108           HB3      ASP 108 -17.825 -13.578   6.056
  833    H    THR 109           H        THR 109 -17.856 -11.189   4.187
  834    HA   THR 109           HA       THR 109 -16.684 -12.621   1.904
  835    HB   THR 109           HB       THR 109 -18.841 -10.454   2.077
  836    HG1  THR 109           HG1      THR 109 -19.272 -12.633   2.903
  837   HG21  THR 109          HG21      THR 109 -19.344 -11.391  -0.281
  838   HG22  THR 109          HG22      THR 109 -17.995 -10.252  -0.115
  839   HG23  THR 109          HG23      THR 109 -17.668 -11.982  -0.257
  840    H    GLN 110           H        GLN 110 -16.848  -9.219   3.133
  841    HA   GLN 110           HA       GLN 110 -15.275  -8.096   1.102
  842    HB2  GLN 110           HB2      GLN 110 -16.693  -7.041   3.070
  843    HB3  GLN 110           HB3      GLN 110 -15.175  -7.073   3.960
  844    HG2  GLN 110           HG2      GLN 110 -15.721  -5.683   1.294
  845    HG3  GLN 110           HG3      GLN 110 -15.614  -4.898   2.860
  846   HE21  GLN 110          HE22      GLN 110 -13.816  -5.813   0.087
  847   HE22  GLN 110          HE21      GLN 110 -12.215  -5.587   0.741
  848    H    GLU 111           H        GLU 111 -14.252  -9.466   4.299
  849    HA   GLU 111           HA       GLU 111 -11.489  -8.960   3.947
  850    HB2  GLU 111           HB2      GLU 111 -13.041 -10.978   5.607
  851    HB3  GLU 111           HB3      GLU 111 -11.286 -10.877   5.668
  852    HG2  GLU 111           HG2      GLU 111 -13.084  -8.475   6.233
  853    HG3  GLU 111           HG3      GLU 111 -12.532  -9.598   7.470
  854    H    ALA 112           H        ALA 112 -13.489 -11.747   2.808
  855    HA   ALA 112           HA       ALA 112 -11.205 -13.349   2.087
  856    HB1  ALA 112           HB1      ALA 112 -13.476 -14.285   2.370
  857    HB2  ALA 112           HB2      ALA 112 -14.033 -13.381   0.939
  858    HB3  ALA 112           HB3      ALA 112 -12.802 -14.652   0.775
  859    H    ILE 113           H        ILE 113 -13.198 -10.936   0.337
  860    HA   ILE 113           HA       ILE 113 -11.821 -11.229  -2.178
  861    HB   ILE 113           HB       ILE 113 -13.564  -9.028  -1.000
  862   HG12  ILE 113          HG12      ILE 113 -14.196 -11.143  -3.120
  863   HG13  ILE 113          HG13      ILE 113 -14.560 -11.357  -1.420
  864   HG21  ILE 113          HG21      ILE 113 -12.484  -9.332  -3.837
  865   HG22  ILE 113          HG22      ILE 113 -13.783  -8.210  -3.377
  866   HG23  ILE 113          HG23      ILE 113 -12.169  -7.998  -2.715
  867   HD11  ILE 113          HD11      ILE 113 -15.965  -9.284  -1.476
  868   HD12  ILE 113          HD12      ILE 113 -15.762  -9.276  -3.251
  869   HD13  ILE 113          HD13      ILE 113 -16.560 -10.641  -2.454
  870    H    ALA 114           H        ALA 114 -11.398  -9.006   0.643
  871    HA   ALA 114           HA       ALA 114  -9.244  -7.506  -0.420
  872    HB1  ALA 114           HB1      ALA 114  -8.721  -6.975   1.912
  873    HB2  ALA 114           HB2      ALA 114 -10.475  -6.901   1.650
  874    HB3  ALA 114           HB3      ALA 114  -9.752  -8.300   2.478
  875    H    ASP 115           H        ASP 115  -9.302 -10.685   1.246
  876    HA   ASP 115           HA       ASP 115  -6.449 -10.909   1.393
  877    HB2  ASP 115           HB2      ASP 115  -8.012 -12.198   2.823
  878    HB3  ASP 115           HB3      ASP 115  -8.498 -13.145   1.410
  879    H    TRP 116           H        TRP 116  -8.828 -11.951  -1.121
  880    HA   TRP 116           HA       TRP 116  -6.875 -13.200  -2.818
  881    HB2  TRP 116           HB2      TRP 116  -9.204 -13.527  -3.344
  882    HB3  TRP 116           HB3      TRP 116  -9.491 -11.791  -3.466
  883    HD1  TRP 116           HD1      TRP 116  -9.200 -10.707  -5.772
  884    HE1  TRP 116           HE1      TRP 116  -8.117 -11.332  -8.024
  885    HE3  TRP 116           HE3      TRP 116  -7.186 -15.240  -4.500
  886    HZ2  TRP 116           HZ2      TRP 116  -6.537 -13.464  -9.088
  887    HZ3  TRP 116           HZ3      TRP 116  -5.905 -16.554  -6.152
  888    HH2  TRP 116           HH2      TRP 116  -5.560 -15.672  -8.460
  889    H    LEU 117           H        LEU 117  -7.998  -9.782  -2.523
  890    HA   LEU 117           HA       LEU 117  -6.380  -8.808  -4.647
  891    HB2  LEU 117           HB2      LEU 117  -7.512  -7.442  -2.179
  892    HB3  LEU 117           HB3      LEU 117  -6.651  -6.570  -3.436
  893    HG   LEU 117           HG       LEU 117  -9.097  -8.276  -4.072
  894   HD11  LEU 117          HD11      LEU 117 -10.422  -6.198  -4.004
  895   HD12  LEU 117          HD12      LEU 117  -9.780  -6.615  -2.413
  896   HD13  LEU 117          HD13      LEU 117  -9.018  -5.315  -3.358
  897   HD21  LEU 117          HD21      LEU 117  -7.805  -5.944  -5.549
  898   HD22  LEU 117          HD22      LEU 117  -7.666  -7.654  -5.997
  899   HD23  LEU 117          HD23      LEU 117  -9.241  -6.855  -6.062
  900    H    TYR 118           H        TYR 118  -5.634  -9.144  -1.123
  901    HA   TYR 118           HA       TYR 118  -3.007  -8.058  -1.293
  902    HB2  TYR 118           HB2      TYR 118  -4.058 -10.254   0.533
  903    HB3  TYR 118           HB3      TYR 118  -2.559  -9.382   0.763
  904    HD1  TYR 118           HD2      TYR 118  -3.684  -6.513   0.114
  905    HD2  TYR 118           HD1      TYR 118  -5.004  -9.754   2.648
  906    HE1  TYR 118           HE2      TYR 118  -4.811  -4.895   1.590
  907    HE2  TYR 118           HE1      TYR 118  -6.162  -8.141   4.114
  908    HH   TYR 118           HH       TYR 118  -6.077  -4.596   3.538
  909    H    TRP 119           H        TRP 119  -4.149 -11.476  -1.653
  910    HA   TRP 119           HA       TRP 119  -1.603 -12.636  -2.123
  911    HB2  TRP 119           HB2      TRP 119  -3.465 -14.057  -1.697
  912    HB3  TRP 119           HB3      TRP 119  -4.447 -13.312  -2.949
  913    HD1  TRP 119           HD1      TRP 119  -4.197 -14.099  -5.402
  914    HE1  TRP 119           HE1      TRP 119  -2.958 -15.982  -6.579
  915    HE3  TRP 119           HE3      TRP 119  -1.323 -15.691  -1.480
  916    HZ2  TRP 119           HZ2      TRP 119  -0.814 -17.855  -5.934
  917    HZ3  TRP 119           HZ3      TRP 119   0.334 -17.511  -1.798
  918    HH2  TRP 119           HH2      TRP 119   0.617 -18.571  -4.029
  919    H    LEU 120           H        LEU 120  -3.898 -11.154  -4.432
  920    HA   LEU 120           HA       LEU 120  -2.352 -11.815  -6.719
  921    HB2  LEU 120           HB2      LEU 120  -4.795 -11.303  -6.604
  922    HB3  LEU 120           HB3      LEU 120  -4.437  -9.613  -6.307
  923    HG   LEU 120           HG       LEU 120  -5.156 -10.280  -8.609
  924   HD11  LEU 120          HD11      LEU 120  -2.457  -8.892  -8.645
  925   HD12  LEU 120          HD12      LEU 120  -3.774  -8.752  -9.815
  926   HD13  LEU 120          HD13      LEU 120  -3.992  -8.126  -8.175
  927   HD21  LEU 120          HD21      LEU 120  -3.639 -11.293 -10.179
  928   HD22  LEU 120          HD22      LEU 120  -2.361 -11.405  -8.952
  929   HD23  LEU 120          HD23      LEU 120  -3.846 -12.375  -8.792
  930    H    ALA 121           H        ALA 121  -2.551  -8.855  -4.689
  931    HA   ALA 121           HA       ALA 121  -0.681  -7.276  -6.104
  932    HB1  ALA 121           HB1      ALA 121  -2.202  -6.406  -4.376
  933    HB2  ALA 121           HB2      ALA 121  -1.368  -7.359  -3.132
  934    HB3  ALA 121           HB3      ALA 121  -0.514  -6.034  -3.956
  935    H    ARG 122           H        ARG 122  -0.172  -9.652  -3.438
  936    HA   ARG 122           HA       ARG 122   2.636  -9.337  -3.236
  937    HB2  ARG 122           HB2      ARG 122   1.271 -10.524  -1.575
  938    HB3  ARG 122           HB3      ARG 122   0.854 -11.760  -2.747
  939    HG2  ARG 122           HG2      ARG 122   2.461 -12.628  -1.214
  940    HG3  ARG 122           HG3      ARG 122   3.216 -12.543  -2.798
  941    HD2  ARG 122           HD2      ARG 122   3.559 -10.392  -0.679
  942    HD3  ARG 122           HD3      ARG 122   4.596 -11.830  -0.753
  943    HE   ARG 122           HE       ARG 122   4.654 -10.704  -3.310
  944   HH11  ARG 122          HH11      ARG 122   5.689  -9.826  -0.004
  945   HH12  ARG 122          HH12      ARG 122   6.703  -8.522  -0.555
  946   HH21  ARG 122          HH21      ARG 122   6.231  -9.175  -4.003
  947   HH22  ARG 122          HH22      ARG 122   7.175  -8.305  -2.848
  948    H    GLY 123           H        GLY 123   0.647 -11.035  -5.601
  949    HA2  GLY 123           HA2      GLY 123   1.996 -10.811  -7.753
  950    HA3  GLY 123           HA3      GLY 123   3.049 -12.044  -7.053
  951    H    TYR 124           H        TYR 124   0.961 -11.835  -9.341
  952    HA   TYR 124           HA       TYR 124  -0.820 -14.103  -8.937
  953    HB2  TYR 124           HB2      TYR 124  -1.344 -12.533 -10.707
  954    HB3  TYR 124           HB3      TYR 124   0.248 -12.707 -11.421
  955    HD1  TYR 124           HD1      TYR 124  -2.805 -14.783 -10.571
  956    HD2  TYR 124           HD2      TYR 124   0.537 -14.164 -13.234
  957    HE1  TYR 124           HE1      TYR 124  -3.637 -16.602 -12.037
  958    HE2  TYR 124           HE2      TYR 124  -0.292 -15.963 -14.707
  959    HH   TYR 124           HH       TYR 124  -1.962 -17.510 -15.099
  960    H    LYS 125           H        LYS 125   0.238 -15.934  -8.219
  961    HA   LYS 125           HA       LYS 125   2.518 -16.976  -9.817
  962    HB2  LYS 125           HB2      LYS 125   3.721 -17.440  -7.728
  963    HB3  LYS 125           HB3      LYS 125   3.389 -15.734  -7.976
  964    HG2  LYS 125           HG2      LYS 125   1.248 -16.274  -6.436
  965    HG3  LYS 125           HG3      LYS 125   2.256 -17.621  -5.903
  966    HD2  LYS 125           HD2      LYS 125   4.037 -16.081  -5.246
  967    HD3  LYS 125           HD3      LYS 125   3.194 -14.713  -5.972
  968    HE2  LYS 125           HE2      LYS 125   2.286 -16.271  -3.520
  969    HE3  LYS 125           HE3      LYS 125   3.009 -14.662  -3.548
  970    HZ1  LYS 125           HZ1      LYS 125   0.994 -14.059  -5.020
  971    HZ2  LYS 125           HZ2      LYS 125   0.347 -15.460  -4.505
  972    HZ3  LYS 125           HZ3      LYS 125   0.702 -14.308  -3.413
  973    H    PHE 126           H        PHE 126  -0.531 -17.742  -8.811
  974    HA   PHE 126           HA       PHE 126   0.068 -20.655  -9.042
  975    HB2  PHE 126           HB2      PHE 126  -2.237 -19.343  -7.549
  976    HB3  PHE 126           HB3      PHE 126  -2.181 -21.033  -8.009
  977    HD1  PHE 126           HD1      PHE 126   1.064 -20.998  -7.134
  978    HD2  PHE 126           HD2      PHE 126  -2.770 -20.241  -5.298
  979    HE1  PHE 126           HE1      PHE 126   1.995 -21.607  -4.936
  980    HE2  PHE 126           HE2      PHE 126  -1.822 -20.859  -3.092
  981    HZ   PHE 126           HZ       PHE 126   0.560 -21.548  -2.902
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   9.978  -4.591  -0.221
    2    H2   MET   1           H2       MET   1  10.693  -4.568  -1.703
    3    H3   MET   1           H3       MET   1   9.328  -3.700  -1.426
    4    HA   MET   1           HA       MET   1   8.821  -5.631  -2.697
    5    HB2  MET   1           HB2      MET   1   9.133  -7.840  -1.917
    6    HB3  MET   1           HB3      MET   1  10.686  -7.042  -1.793
    7    HG2  MET   1           HG2      MET   1   8.773  -7.599   0.520
    8    HG3  MET   1           HG3      MET   1  10.185  -8.548   0.093
    9    HE1  MET   1           HE1      MET   1  11.031  -8.520   2.558
   10    HE2  MET   1           HE2      MET   1  11.196  -7.041   3.529
   11    HE3  MET   1           HE3      MET   1   9.587  -7.583   3.002
   12    H    ALA   2           H        ALA   2   6.801  -6.962  -2.304
   13    HA   ALA   2           HA       ALA   2   4.910  -5.570  -0.605
   14    HB1  ALA   2           HB1      ALA   2   3.365  -7.361  -1.329
   15    HB2  ALA   2           HB2      ALA   2   4.227  -6.675  -2.717
   16    HB3  ALA   2           HB3      ALA   2   4.714  -8.255  -2.056
   17    H    SER   3           H        SER   3   4.258  -6.115   1.443
   18    HA   SER   3           HA       SER   3   5.405  -8.543   2.733
   19    HB2  SER   3           HB2      SER   3   5.267  -5.737   3.889
   20    HB3  SER   3           HB3      SER   3   5.931  -7.175   4.685
   21    HG   SER   3           HG       SER   3   7.528  -5.829   3.695
   22    H    VAL   4           H        VAL   4   2.541  -7.402   1.789
   23    HA   VAL   4           HA       VAL   4   0.877  -7.225   4.037
   24    HB   VAL   4           HB       VAL   4  -0.904  -7.993   2.326
   25   HG11  VAL   4          HG11      VAL   4  -0.544  -5.664   3.008
   26   HG12  VAL   4          HG12      VAL   4   0.764  -5.489   1.819
   27   HG13  VAL   4          HG13      VAL   4  -0.908  -5.761   1.280
   28   HG21  VAL   4          HG21      VAL   4  -0.381  -7.870  -0.005
   29   HG22  VAL   4          HG22      VAL   4   1.297  -7.387   0.290
   30   HG23  VAL   4          HG23      VAL   4   0.754  -9.029   0.686
   31    H    GLU   5           H        GLU   5   0.931  -8.590   5.559
   32    HA   GLU   5           HA       GLU   5   0.880 -10.441   6.838
   33    HB2  GLU   5           HB2      GLU   5  -0.904 -11.547   4.633
   34    HB3  GLU   5           HB3      GLU   5  -0.775 -12.165   6.272
   35    HG2  GLU   5           HG2      GLU   5  -1.878  -9.463   5.436
   36    HG3  GLU   5           HG3      GLU   5  -2.779 -10.834   6.068
   37    H    ARG   6           H        ARG   6   3.113 -10.182   5.075
   38    HA   ARG   6           HA       ARG   6   3.861 -12.829   4.113
   39    HB2  ARG   6           HB2      ARG   6   4.510 -10.719   3.022
   40    HB3  ARG   6           HB3      ARG   6   5.478 -10.262   4.432
   41    HG2  ARG   6           HG2      ARG   6   7.042 -12.082   4.022
   42    HG3  ARG   6           HG3      ARG   6   5.973 -12.785   2.793
   43    HD2  ARG   6           HD2      ARG   6   6.197 -10.707   1.443
   44    HD3  ARG   6           HD3      ARG   6   7.356 -10.068   2.625
   45    HE   ARG   6           HE       ARG   6   8.513 -12.416   1.997
   46   HH11  ARG   6          HH11      ARG   6   7.249  -9.803  -0.069
   47   HH12  ARG   6          HH12      ARG   6   8.194 -10.267  -1.448
   48   HH21  ARG   6          HH21      ARG   6   9.859 -12.930   0.206
   49   HH22  ARG   6          HH22      ARG   6   9.780 -12.012  -1.247
   50    H    ASP   7           H        ASP   7   3.332 -13.854   6.207
   51    HA   ASP   7           HA       ASP   7   5.754 -14.134   7.875
   52    HB2  ASP   7           HB2      ASP   7   4.622 -12.620   9.275
   53    HB3  ASP   7           HB3      ASP   7   3.036 -13.240   8.848
   54    H    GLU   8           H        GLU   8   5.985 -16.213   8.643
   55    HA   GLU   8           HA       GLU   8   5.018 -18.172   6.924
   56    HB2  GLU   8           HB2      GLU   8   6.229 -19.763   8.281
   57    HB3  GLU   8           HB3      GLU   8   7.167 -18.291   8.038
   58    HG2  GLU   8           HG2      GLU   8   6.506 -17.527  10.340
   59    HG3  GLU   8           HG3      GLU   8   5.641 -19.047  10.572
   60    H    THR   9           H        THR   9   3.588 -17.161  10.031
   61    HA   THR   9           HA       THR   9   2.056 -19.530  10.480
   62    HB   THR   9           HB       THR   9   0.915 -16.834  11.163
   63    HG1  THR   9           HG1      THR   9   2.894 -16.315  11.609
   64   HG21  THR   9          HG21      THR   9   1.384 -19.361  12.806
   65   HG22  THR   9          HG22      THR   9   0.464 -17.924  13.314
   66   HG23  THR   9          HG23      THR   9  -0.128 -18.929  11.980
   67    H    ARG  10           H        ARG  10   1.424 -16.569   8.534
   68    HA   ARG  10           HA       ARG  10  -1.221 -17.487   7.740
   69    HB2  ARG  10           HB2      ARG  10   0.540 -15.390   6.388
   70    HB3  ARG  10           HB3      ARG  10  -1.153 -15.724   6.063
   71    HG2  ARG  10           HG2      ARG  10  -1.370 -13.911   7.418
   72    HG3  ARG  10           HG3      ARG  10  -1.545 -15.189   8.610
   73    HD2  ARG  10           HD2      ARG  10   0.667 -14.852   9.450
   74    HD3  ARG  10           HD3      ARG  10   1.163 -13.950   8.003
   75    HE   ARG  10           HE       ARG  10  -0.658 -12.263   8.799
   76   HH11  ARG  10          HH11      ARG  10   1.698 -13.902  10.965
   77   HH12  ARG  10          HH12      ARG  10   1.544 -12.672  12.175
   78   HH21  ARG  10          HH21      ARG  10  -0.704 -10.712  10.199
   79   HH22  ARG  10          HH22      ARG  10   0.159 -10.736  11.727
   80    H    GLU  11           H        GLU  11   2.094 -17.689   6.383
   81    HA   GLU  11           HA       GLU  11   1.422 -18.665   3.857
   82    HB2  GLU  11           HB2      GLU  11   3.727 -17.986   4.976
   83    HB3  GLU  11           HB3      GLU  11   3.821 -19.688   5.413
   84    HG2  GLU  11           HG2      GLU  11   4.946 -19.694   3.422
   85    HG3  GLU  11           HG3      GLU  11   3.327 -20.097   2.846
   86    H    HIS  12           H        HIS  12   2.116 -20.536   6.833
   87    HA   HIS  12           HA       HIS  12   1.470 -23.098   5.712
   88    HB2  HIS  12           HB2      HIS  12   1.448 -22.146   8.612
   89    HB3  HIS  12           HB3      HIS  12   1.272 -23.823   8.104
   90    HD1  HIS  12           HD1      HIS  12   3.590 -24.506   6.310
   91    HD2  HIS  12           HD2      HIS  12   3.842 -21.693   9.431
   92    HE1  HIS  12           HE1      HIS  12   6.058 -24.312   6.894
   93    H    ARG  13           H        ARG  13  -0.505 -20.816   7.746
   94    HA   ARG  13           HA       ARG  13  -2.750 -22.544   7.823
   95    HB2  ARG  13           HB2      ARG  13  -2.526 -19.522   8.100
   96    HB3  ARG  13           HB3      ARG  13  -4.045 -20.394   8.319
   97    HG2  ARG  13           HG2      ARG  13  -3.126 -21.709  10.162
   98    HG3  ARG  13           HG3      ARG  13  -1.520 -21.025   9.917
   99    HD2  ARG  13           HD2      ARG  13  -2.537 -19.910  11.791
  100    HD3  ARG  13           HD3      ARG  13  -2.396 -18.763  10.447
  101    HE   ARG  13           HE       ARG  13  -4.965 -20.123  10.531
  102   HH11  ARG  13          HH11      ARG  13  -3.173 -17.420  11.978
  103   HH12  ARG  13          HH12      ARG  13  -4.583 -16.513  12.377
  104   HH21  ARG  13          HH21      ARG  13  -6.846 -18.908  11.052
  105   HH22  ARG  13          HH22      ARG  13  -6.715 -17.387  11.845
  106    H    ILE  14           H        ILE  14  -2.176 -19.830   5.481
  107    HA   ILE  14           HA       ILE  14  -4.640 -20.200   4.187
  108    HB   ILE  14           HB       ILE  14  -2.977 -18.237   4.095
  109   HG12  ILE  14          HG12      ILE  14  -4.385 -19.102   1.550
  110   HG13  ILE  14          HG13      ILE  14  -5.144 -18.364   2.973
  111   HG21  ILE  14          HG21      ILE  14  -1.418 -18.075   2.271
  112   HG22  ILE  14          HG22      ILE  14  -1.027 -19.540   3.156
  113   HG23  ILE  14          HG23      ILE  14  -1.909 -19.651   1.617
  114   HD11  ILE  14          HD11      ILE  14  -4.838 -16.627   1.379
  115   HD12  ILE  14          HD12      ILE  14  -3.654 -16.352   2.665
  116   HD13  ILE  14          HD13      ILE  14  -3.142 -17.050   1.107
  117    H    GLU  15           H        GLU  15  -1.429 -21.697   3.567
  118    HA   GLU  15           HA       GLU  15  -2.235 -23.179   1.311
  119    HB2  GLU  15           HB2      GLU  15   0.084 -22.884   1.867
  120    HB3  GLU  15           HB3      GLU  15  -0.096 -23.771   3.392
  121    HG2  GLU  15           HG2      GLU  15  -0.358 -25.843   2.315
  122    HG3  GLU  15           HG3      GLU  15  -0.856 -25.110   0.787
  123    H    THR  16           H        THR  16  -2.154 -24.205   4.778
  124    HA   THR  16           HA       THR  16  -3.296 -26.733   4.133
  125    HB   THR  16           HB       THR  16  -3.376 -27.003   6.635
  126    HG1  THR  16           HG1      THR  16  -2.072 -24.484   6.629
  127   HG21  THR  16          HG21      THR  16  -1.414 -27.682   5.329
  128   HG22  THR  16          HG22      THR  16  -0.732 -26.048   5.444
  129   HG23  THR  16          HG23      THR  16  -0.933 -27.040   6.906
  130    H    GLU  17           H        GLU  17  -4.939 -23.791   4.254
  131    HA   GLU  17           HA       GLU  17  -7.497 -25.218   4.878
  132    HB2  GLU  17           HB2      GLU  17  -6.728 -22.287   5.080
  133    HB3  GLU  17           HB3      GLU  17  -8.373 -22.875   5.243
  134    HG2  GLU  17           HG2      GLU  17  -6.044 -23.654   7.052
  135    HG3  GLU  17           HG3      GLU  17  -7.302 -22.486   7.430
  136    H    ILE  18           H        ILE  18  -5.830 -23.342   2.322
  137    HA   ILE  18           HA       ILE  18  -8.374 -23.408   0.770
  138    HB   ILE  18           HB       ILE  18  -6.066 -21.445   0.646
  139   HG12  ILE  18          HG12      ILE  18  -8.796 -21.256   1.996
  140   HG13  ILE  18          HG13      ILE  18  -7.214 -21.222   2.778
  141   HG21  ILE  18          HG21      ILE  18  -8.793 -21.389  -0.689
  142   HG22  ILE  18          HG22      ILE  18  -7.592 -20.073  -0.744
  143   HG23  ILE  18          HG23      ILE  18  -7.245 -21.602  -1.512
  144   HD11  ILE  18          HD11      ILE  18  -8.487 -19.045   1.127
  145   HD12  ILE  18          HD12      ILE  18  -7.907 -18.999   2.801
  146   HD13  ILE  18          HD13      ILE  18  -6.746 -19.080   1.461
  147    H    ILE  19           H        ILE  19  -4.902 -24.242   0.528
  148    HA   ILE  19           HA       ILE  19  -5.483 -25.513  -2.091
  149    HB   ILE  19           HB       ILE  19  -3.391 -24.660  -3.007
  150   HG12  ILE  19          HG12      ILE  19  -2.434 -23.936  -0.737
  151   HG13  ILE  19          HG13      ILE  19  -2.050 -23.028  -2.193
  152   HG21  ILE  19          HG21      ILE  19  -5.455 -22.504  -2.444
  153   HG22  ILE  19          HG22      ILE  19  -4.258 -22.502  -3.746
  154   HG23  ILE  19          HG23      ILE  19  -5.535 -23.732  -3.707
  155   HD11  ILE  19          HD11      ILE  19  -3.612 -21.241  -1.579
  156   HD12  ILE  19          HD12      ILE  19  -4.070 -22.139  -0.114
  157   HD13  ILE  19          HD13      ILE  19  -2.422 -21.526  -0.309
  158    H    VAL  20           H        VAL  20  -5.452 -26.666   0.288
  159    HA   VAL  20           HA       VAL  20  -3.260 -27.611   1.503
  160    HB   VAL  20           HB       VAL  20  -5.653 -29.435   1.090
  161   HG11  VAL  20          HG11      VAL  20  -3.847 -30.217   2.586
  162   HG12  VAL  20          HG12      VAL  20  -4.021 -28.750   3.570
  163   HG13  VAL  20          HG13      VAL  20  -5.347 -29.924   3.471
  164   HG21  VAL  20          HG21      VAL  20  -5.670 -26.800   2.578
  165   HG22  VAL  20          HG22      VAL  20  -6.811 -27.383   1.350
  166   HG23  VAL  20          HG23      VAL  20  -6.800 -28.120   2.947
  167    H    ASP  21           H        ASP  21  -4.800 -29.218  -1.308
  168    HA   ASP  21           HA       ASP  21  -2.458 -31.079  -1.511
  169    HB2  ASP  21           HB2      ASP  21  -4.449 -32.144  -0.550
  170    HB3  ASP  21           HB3      ASP  21  -5.416 -31.620  -1.930
  171    H    ALA  22           H        ALA  22  -4.478 -28.807  -3.163
  172    HA   ALA  22           HA       ALA  22  -3.958 -29.627  -5.890
  173    HB1  ALA  22           HB1      ALA  22  -4.524 -27.212  -6.335
  174    HB2  ALA  22           HB2      ALA  22  -5.773 -28.064  -5.406
  175    HB3  ALA  22           HB3      ALA  22  -4.654 -26.946  -4.589
  176    H    GLU  23           H        GLU  23  -2.135 -29.146  -7.123
  177    HA   GLU  23           HA       GLU  23   0.116 -27.716  -5.786
  178    HB2  GLU  23           HB2      GLU  23   1.586 -29.541  -6.375
  179    HB3  GLU  23           HB3      GLU  23   0.250 -30.135  -5.395
  180    HG2  GLU  23           HG2      GLU  23  -0.876 -31.019  -7.418
  181    HG3  GLU  23           HG3      GLU  23   0.410 -30.378  -8.437
  182    H    ASP  24           H        ASP  24  -1.834 -27.493  -8.405
  183    HA   ASP  24           HA       ASP  24   0.304 -26.369 -10.154
  184    HB2  ASP  24           HB2      ASP  24  -0.453 -28.514 -11.099
  185    HB3  ASP  24           HB3      ASP  24  -2.141 -28.021 -10.931
  186    H    LYS  25           H        LYS  25  -0.339 -24.417 -11.178
  187    HA   LYS  25           HA       LYS  25  -1.961 -22.741  -9.730
  188    HB2  LYS  25           HB2      LYS  25  -1.682 -21.100 -11.358
  189    HB3  LYS  25           HB3      LYS  25  -0.204 -22.037 -11.379
  190    HG2  LYS  25           HG2      LYS  25  -2.480 -22.299 -13.397
  191    HG3  LYS  25           HG3      LYS  25  -1.086 -21.264 -13.619
  192    HD2  LYS  25           HD2      LYS  25   0.415 -23.050 -13.931
  193    HD3  LYS  25           HD3      LYS  25  -0.648 -24.209 -13.148
  194    HE2  LYS  25           HE2      LYS  25  -2.251 -23.341 -15.206
  195    HE3  LYS  25           HE3      LYS  25  -0.663 -23.272 -15.967
  196    HZ1  LYS  25           HZ1      LYS  25  -2.021 -25.443 -16.018
  197    HZ2  LYS  25           HZ2      LYS  25  -0.410 -25.582 -15.634
  198    HZ3  LYS  25           HZ3      LYS  25  -1.564 -25.661 -14.468
  199    H    GLU  26           H        GLU  26  -3.161 -24.923 -12.315
  200    HA   GLU  26           HA       GLU  26  -5.699 -23.476 -12.549
  201    HB2  GLU  26           HB2      GLU  26  -4.678 -26.194 -13.470
  202    HB3  GLU  26           HB3      GLU  26  -6.364 -25.720 -13.653
  203    HG2  GLU  26           HG2      GLU  26  -5.803 -23.837 -15.049
  204    HG3  GLU  26           HG3      GLU  26  -4.085 -24.023 -14.718
  205    H    GLU  27           H        GLU  27  -4.479 -26.381 -10.829
  206    HA   GLU  27           HA       GLU  27  -7.016 -27.096  -9.675
  207    HB2  GLU  27           HB2      GLU  27  -4.168 -27.729  -8.774
  208    HB3  GLU  27           HB3      GLU  27  -5.626 -28.531  -8.192
  209    HG2  GLU  27           HG2      GLU  27  -4.605 -28.571 -11.068
  210    HG3  GLU  27           HG3      GLU  27  -4.402 -29.856  -9.886
  211    H    ARG  28           H        ARG  28  -4.295 -25.030  -8.633
  212    HA   ARG  28           HA       ARG  28  -5.440 -24.500  -6.020
  213    HB2  ARG  28           HB2      ARG  28  -3.198 -23.208  -7.635
  214    HB3  ARG  28           HB3      ARG  28  -3.688 -22.637  -6.030
  215    HG2  ARG  28           HG2      ARG  28  -3.407 -25.014  -5.200
  216    HG3  ARG  28           HG3      ARG  28  -2.642 -25.425  -6.729
  217    HD2  ARG  28           HD2      ARG  28  -0.729 -24.138  -6.260
  218    HD3  ARG  28           HD3      ARG  28  -1.581 -23.132  -5.065
  219    HE   ARG  28           HE       ARG  28  -1.513 -25.934  -4.315
  220   HH11  ARG  28          HH11      ARG  28   0.689 -23.153  -4.363
  221   HH12  ARG  28          HH12      ARG  28   1.302 -23.473  -2.762
  222   HH21  ARG  28          HH21      ARG  28  -0.892 -26.195  -2.145
  223   HH22  ARG  28          HH22      ARG  28   0.473 -25.299  -1.522
  224    H    ALA  29           H        ALA  29  -5.847 -23.010  -9.217
  225    HA   ALA  29           HA       ALA  29  -7.231 -20.674  -8.205
  226    HB1  ALA  29           HB1      ALA  29  -7.504 -22.055 -10.911
  227    HB2  ALA  29           HB2      ALA  29  -8.081 -20.438 -10.482
  228    HB3  ALA  29           HB3      ALA  29  -6.341 -20.763 -10.523
  229    H    MET  30           H        MET  30  -8.202 -24.044  -9.173
  230    HA   MET  30           HA       MET  30 -10.975 -23.648  -8.628
  231    HB2  MET  30           HB2      MET  30  -9.320 -26.191  -8.506
  232    HB3  MET  30           HB3      MET  30 -11.070 -26.119  -8.379
  233    HG2  MET  30           HG2      MET  30  -9.505 -25.142 -10.788
  234    HG3  MET  30           HG3      MET  30 -10.218 -26.735 -10.616
  235    HE1  MET  30           HE1      MET  30 -12.177 -22.933 -12.033
  236    HE2  MET  30           HE2      MET  30 -11.925 -22.800 -10.286
  237    HE3  MET  30           HE3      MET  30 -10.545 -23.135 -11.353
  238    H    GLY  31           H        GLY  31  -8.318 -24.756  -6.421
  239    HA2  GLY  31           HA2      GLY  31  -9.887 -25.224  -4.149
  240    HA3  GLY  31           HA3      GLY  31  -8.221 -24.620  -4.121
  241    H    TRP  32           H        TRP  32  -8.271 -22.125  -5.061
  242    HA   TRP  32           HA       TRP  32  -9.395 -20.518  -3.075
  243    HB2  TRP  32           HB2      TRP  32  -8.254 -19.996  -5.813
  244    HB3  TRP  32           HB3      TRP  32  -9.100 -18.707  -4.976
  245    HD1  TRP  32           HD1      TRP  32  -5.934 -20.831  -4.610
  246    HE1  TRP  32           HE1      TRP  32  -4.318 -19.649  -3.036
  247    HE3  TRP  32           HE3      TRP  32  -9.014 -17.077  -3.007
  248    HZ2  TRP  32           HZ2      TRP  32  -4.413 -17.438  -1.139
  249    HZ3  TRP  32           HZ3      TRP  32  -8.247 -15.484  -1.277
  250    HH2  TRP  32           HH2      TRP  32  -5.959 -15.639  -0.352
  251    H    TYR  33           H        TYR  33 -10.665 -21.214  -6.403
  252    HA   TYR  33           HA       TYR  33 -12.934 -19.548  -6.262
  253    HB2  TYR  33           HB2      TYR  33 -12.223 -20.481  -8.358
  254    HB3  TYR  33           HB3      TYR  33 -12.378 -22.126  -7.762
  255    HD1  TYR  33           HD2      TYR  33 -14.581 -23.199  -7.446
  256    HD2  TYR  33           HD1      TYR  33 -14.207 -19.242  -9.113
  257    HE1  TYR  33           HE2      TYR  33 -16.943 -23.289  -8.161
  258    HE2  TYR  33           HE1      TYR  33 -16.500 -19.408 -10.019
  259    HH   TYR  33           HH       TYR  33 -18.647 -22.214  -9.350
  260    H    TYR  34           H        TYR  34 -12.577 -23.014  -5.245
  261    HA   TYR  34           HA       TYR  34 -15.322 -23.431  -4.817
  262    HB2  TYR  34           HB2      TYR  34 -12.937 -24.754  -3.461
  263    HB3  TYR  34           HB3      TYR  34 -14.593 -25.310  -3.307
  264    HD1  TYR  34           HD1      TYR  34 -15.606 -25.143  -6.143
  265    HD2  TYR  34           HD2      TYR  34 -11.876 -26.576  -4.504
  266    HE1  TYR  34           HE1      TYR  34 -15.333 -26.632  -8.085
  267    HE2  TYR  34           HE2      TYR  34 -11.612 -28.099  -6.434
  268    HH   TYR  34           HH       TYR  34 -14.006 -28.251  -9.115
  269    H    TYR  35           H        TYR  35 -12.790 -22.520  -2.337
  270    HA   TYR  35           HA       TYR  35 -14.876 -22.371  -0.336
  271    HB2  TYR  35           HB2      TYR  35 -13.307 -21.961   1.198
  272    HB3  TYR  35           HB3      TYR  35 -12.229 -22.594  -0.034
  273    HD1  TYR  35           HD1      TYR  35 -10.935 -20.969  -1.464
  274    HD2  TYR  35           HD2      TYR  35 -13.251 -19.652   1.918
  275    HE1  TYR  35           HE1      TYR  35  -9.875 -18.750  -1.621
  276    HE2  TYR  35           HE2      TYR  35 -12.204 -17.417   1.782
  277    HH   TYR  35           HH       TYR  35 -10.739 -16.043   0.607
  278    H    LEU  36           H        LEU  36 -13.375 -19.946  -2.530
  279    HA   LEU  36           HA       LEU  36 -14.422 -17.687  -1.206
  280    HB2  LEU  36           HB2      LEU  36 -12.584 -17.559  -2.792
  281    HB3  LEU  36           HB3      LEU  36 -13.631 -18.104  -4.110
  282    HG   LEU  36           HG       LEU  36 -14.930 -16.040  -4.008
  283   HD11  LEU  36          HD11      LEU  36 -14.191 -14.125  -2.601
  284   HD12  LEU  36          HD12      LEU  36 -14.804 -15.458  -1.623
  285   HD13  LEU  36          HD13      LEU  36 -13.048 -15.193  -1.759
  286   HD21  LEU  36          HD21      LEU  36 -11.934 -15.460  -4.023
  287   HD22  LEU  36          HD22      LEU  36 -12.835 -16.196  -5.362
  288   HD23  LEU  36          HD23      LEU  36 -13.214 -14.549  -4.855
  289    H    ASP  37           H        ASP  37 -15.724 -19.474  -4.091
  290    HA   ASP  37           HA       ASP  37 -18.041 -17.863  -4.394
  291    HB2  ASP  37           HB2      ASP  37 -17.237 -19.421  -6.124
  292    HB3  ASP  37           HB3      ASP  37 -17.611 -20.794  -5.078
  293    H    ASP  38           H        ASP  38 -17.425 -20.771  -2.391
  294    HA   ASP  38           HA       ASP  38 -20.095 -21.029  -1.385
  295    HB2  ASP  38           HB2      ASP  38 -18.440 -22.830  -1.280
  296    HB3  ASP  38           HB3      ASP  38 -17.437 -21.878  -0.183
  297    H    THR  39           H        THR  39 -17.531 -18.764  -0.533
  298    HA   THR  39           HA       THR  39 -18.745 -18.185   2.107
  299    HB   THR  39           HB       THR  39 -16.198 -17.130   0.812
  300    HG1  THR  39           HG1      THR  39 -15.989 -19.268   1.209
  301   HG21  THR  39          HG21      THR  39 -17.329 -16.873   3.634
  302   HG22  THR  39          HG22      THR  39 -15.625 -16.560   3.224
  303   HG23  THR  39          HG23      THR  39 -16.908 -15.569   2.519
  304    H    LEU  40           H        LEU  40 -18.341 -16.723  -1.118
  305    HA   LEU  40           HA       LEU  40 -19.226 -14.075  -0.457
  306    HB2  LEU  40           HB2      LEU  40 -19.443 -15.725  -3.008
  307    HB3  LEU  40           HB3      LEU  40 -19.929 -14.038  -2.906
  308    HG   LEU  40           HG       LEU  40 -17.091 -15.003  -2.386
  309   HD11  LEU  40          HD11      LEU  40 -18.282 -13.765  -4.901
  310   HD12  LEU  40          HD12      LEU  40 -16.571 -14.167  -4.638
  311   HD13  LEU  40          HD13      LEU  40 -17.775 -15.457  -4.708
  312   HD21  LEU  40          HD21      LEU  40 -18.230 -12.224  -2.705
  313   HD22  LEU  40          HD22      LEU  40 -17.351 -12.919  -1.311
  314   HD23  LEU  40          HD23      LEU  40 -16.503 -12.623  -2.823
  315    H    GLU  41           H        GLU  41 -21.211 -13.616   0.467
  316    HA   GLU  41           HA       GLU  41 -23.469 -15.461   0.131
  317    HB2  GLU  41           HB2      GLU  41 -23.235 -12.853   1.689
  318    HB3  GLU  41           HB3      GLU  41 -24.647 -13.927   1.644
  319    HG2  GLU  41           HG2      GLU  41 -22.985 -15.795   2.391
  320    HG3  GLU  41           HG3      GLU  41 -21.930 -14.464   2.870
  321    H    PHE  42           H        PHE  42 -22.883 -14.878  -2.278
  322    HA   PHE  42           HA       PHE  42 -23.794 -12.458  -3.414
  323    HB2  PHE  42           HB2      PHE  42 -23.554 -13.605  -5.551
  324    HB3  PHE  42           HB3      PHE  42 -22.213 -13.982  -4.505
  325    HD1  PHE  42           HD2      PHE  42 -25.427 -15.322  -5.898
  326    HD2  PHE  42           HD1      PHE  42 -21.681 -16.275  -3.975
  327    HE1  PHE  42           HE2      PHE  42 -25.834 -17.733  -6.290
  328    HE2  PHE  42           HE1      PHE  42 -22.095 -18.679  -4.371
  329    HZ   PHE  42           HZ       PHE  42 -24.172 -19.422  -5.523
  330    HA   PRO  43           HA       PRO  43 -24.842 -11.910  -5.623
  331    HB2  PRO  43           HB2      PRO  43 -26.831 -10.156  -6.216
  332    HB3  PRO  43           HB3      PRO  43 -26.709 -11.775  -6.967
  333    HG2  PRO  43           HG2      PRO  43 -28.424 -10.949  -4.606
  334    HG3  PRO  43           HG3      PRO  43 -28.913 -11.879  -6.059
  335    HD2  PRO  43           HD2      PRO  43 -28.244 -13.097  -3.702
  336    HD3  PRO  43           HD3      PRO  43 -27.843 -13.832  -5.282
  337    H    PHE  44           H        PHE  44 -24.089  -9.749  -5.397
  338    HA   PHE  44           HA       PHE  44 -24.834  -8.176  -3.017
  339    HB2  PHE  44           HB2      PHE  44 -22.618  -7.998  -2.168
  340    HB3  PHE  44           HB3      PHE  44 -23.096  -9.674  -2.157
  341    HD1  PHE  44           HD1      PHE  44 -22.099 -11.279  -3.893
  342    HD2  PHE  44           HD2      PHE  44 -20.598  -7.294  -3.266
  343    HE1  PHE  44           HE1      PHE  44 -19.934 -11.940  -4.890
  344    HE2  PHE  44           HE2      PHE  44 -18.435  -7.951  -4.270
  345    HZ   PHE  44           HZ       PHE  44 -18.085 -10.283  -5.062
  346    H    MET  45           H        MET  45 -22.861  -6.180  -3.258
  347    HA   MET  45           HA       MET  45 -22.821  -5.502  -6.132
  348    HB2  MET  45           HB2      MET  45 -23.788  -3.418  -5.927
  349    HB3  MET  45           HB3      MET  45 -24.871  -4.484  -5.057
  350    HG2  MET  45           HG2      MET  45 -24.408  -3.534  -3.008
  351    HG3  MET  45           HG3      MET  45 -22.769  -3.076  -3.432
  352    HE1  MET  45           HE1      MET  45 -23.020  -1.337  -6.167
  353    HE2  MET  45           HE2      MET  45 -23.065   0.243  -5.361
  354    HE3  MET  45           HE3      MET  45 -21.998  -1.033  -4.754
  355    H    GLY  46           H        GLY  46 -21.485  -3.600  -6.612
  356    HA2  GLY  46           HA2      GLY  46 -19.433  -2.828  -4.669
  357    HA3  GLY  46           HA3      GLY  46 -18.866  -3.972  -5.898
  358    H    LYS  47           H        LYS  47 -17.553  -1.870  -5.968
  359    HA   LYS  47           HA       LYS  47 -18.549  -0.364  -8.350
  360    HB2  LYS  47           HB2      LYS  47 -18.034   0.971  -6.171
  361    HB3  LYS  47           HB3      LYS  47 -16.356   0.523  -6.426
  362    HG2  LYS  47           HG2      LYS  47 -16.476   2.627  -7.447
  363    HG3  LYS  47           HG3      LYS  47 -16.673   1.537  -8.821
  364    HD2  LYS  47           HD2      LYS  47 -18.346   3.171  -9.131
  365    HD3  LYS  47           HD3      LYS  47 -19.209   1.784  -8.462
  366    HE2  LYS  47           HE2      LYS  47 -19.292   2.795  -6.260
  367    HE3  LYS  47           HE3      LYS  47 -18.214   4.105  -6.762
  368    HZ1  LYS  47           HZ1      LYS  47 -19.916   4.949  -8.195
  369    HZ2  LYS  47           HZ2      LYS  47 -20.896   3.668  -7.960
  370    HZ3  LYS  47           HZ3      LYS  47 -20.598   4.719  -6.735
  371    H    TRP  48           H        TRP  48 -17.545  -1.065 -10.162
  372    HA   TRP  48           HA       TRP  48 -15.050  -2.635 -10.027
  373    HB2  TRP  48           HB2      TRP  48 -16.869  -3.099 -11.705
  374    HB3  TRP  48           HB3      TRP  48 -16.534  -1.546 -12.447
  375    HD1  TRP  48           HD1      TRP  48 -13.183  -2.533 -11.812
  376    HE1  TRP  48           HE1      TRP  48 -12.089  -3.835 -13.652
  377    HE3  TRP  48           HE3      TRP  48 -17.388  -3.837 -14.450
  378    HZ2  TRP  48           HZ2      TRP  48 -12.904  -5.452 -15.913
  379    HZ3  TRP  48           HZ3      TRP  48 -17.163  -5.316 -16.438
  380    HH2  TRP  48           HH2      TRP  48 -14.942  -6.134 -17.159
  381    H    LYS  49           H        LYS  49 -13.323  -1.495  -9.455
  382    HA   LYS  49           HA       LYS  49 -13.016   1.373 -10.013
  383    HB2  LYS  49           HB2      LYS  49 -11.065  -0.595  -8.712
  384    HB3  LYS  49           HB3      LYS  49 -11.054   1.157  -8.557
  385    HG2  LYS  49           HG2      LYS  49 -13.175  -0.735  -7.433
  386    HG3  LYS  49           HG3      LYS  49 -11.818  -0.114  -6.533
  387    HD2  LYS  49           HD2      LYS  49 -13.886   1.750  -7.778
  388    HD3  LYS  49           HD3      LYS  49 -14.078   0.994  -6.194
  389    HE2  LYS  49           HE2      LYS  49 -11.702   1.913  -5.666
  390    HE3  LYS  49           HE3      LYS  49 -11.967   2.997  -7.043
  391    HZ1  LYS  49           HZ1      LYS  49 -13.760   2.748  -4.687
  392    HZ2  LYS  49           HZ2      LYS  49 -12.644   3.936  -4.885
  393    HZ3  LYS  49           HZ3      LYS  49 -13.904   3.866  -5.922
  394    H    LYS  50           H        LYS  50 -13.235   0.479 -12.387
  395    HA   LYS  50           HA       LYS  50 -11.408  -1.339 -13.529
  396    HB2  LYS  50           HB2      LYS  50 -13.591  -0.794 -14.480
  397    HB3  LYS  50           HB3      LYS  50 -13.072   0.859 -14.829
  398    HG2  LYS  50           HG2      LYS  50 -11.450   0.107 -16.450
  399    HG3  LYS  50           HG3      LYS  50 -11.668  -1.587 -15.993
  400    HD2  LYS  50           HD2      LYS  50 -13.827   0.168 -17.253
  401    HD3  LYS  50           HD3      LYS  50 -12.755  -0.919 -18.151
  402    HE2  LYS  50           HE2      LYS  50 -13.596  -2.844 -16.787
  403    HE3  LYS  50           HE3      LYS  50 -14.745  -1.762 -15.993
  404    HZ1  LYS  50           HZ1      LYS  50 -14.687  -2.381 -18.892
  405    HZ2  LYS  50           HZ2      LYS  50 -15.771  -2.948 -17.815
  406    HZ3  LYS  50           HZ3      LYS  50 -15.745  -1.357 -18.182
  407    H    LYS  51           H        LYS  51  -9.287  -1.156 -13.844
  408    HA   LYS  51           HA       LYS  51  -7.956   1.371 -13.564
  409    HB2  LYS  51           HB2      LYS  51  -7.110  -1.063 -13.078
  410    HB3  LYS  51           HB3      LYS  51  -6.627  -1.063 -14.779
  411    HG2  LYS  51           HG2      LYS  51  -5.175   0.931 -14.348
  412    HG3  LYS  51           HG3      LYS  51  -5.775   1.012 -12.684
  413    HD2  LYS  51           HD2      LYS  51  -4.800  -1.223 -12.225
  414    HD3  LYS  51           HD3      LYS  51  -4.216  -1.313 -13.903
  415    HE2  LYS  51           HE2      LYS  51  -2.851   0.732 -13.532
  416    HE3  LYS  51           HE3      LYS  51  -3.434   0.824 -11.865
  417    HZ1  LYS  51           HZ1      LYS  51  -2.355  -1.309 -11.440
  418    HZ2  LYS  51           HZ2      LYS  51  -1.816  -1.394 -12.982
  419    HZ3  LYS  51           HZ3      LYS  51  -1.268  -0.227 -11.988
  420    H    SER  52           H        SER  52  -6.331   2.104 -15.218
  421    HA   SER  52           HA       SER  52  -7.382   3.470 -17.208
  422    HB2  SER  52           HB2      SER  52  -4.625   2.219 -17.319
  423    HB3  SER  52           HB3      SER  52  -5.136   3.822 -17.870
  424    HG   SER  52           HG       SER  52  -4.023   3.483 -15.684
  425    H    ARG  53           H        ARG  53  -7.574   3.444 -19.409
  426    HA   ARG  53           HA       ARG  53  -8.061   0.842 -20.716
  427    HB2  ARG  53           HB2      ARG  53  -8.275   3.702 -21.762
  428    HB3  ARG  53           HB3      ARG  53  -8.829   2.244 -22.593
  429    HG2  ARG  53           HG2      ARG  53 -10.514   1.843 -20.840
  430    HG3  ARG  53           HG3      ARG  53  -9.910   3.230 -19.905
  431    HD2  ARG  53           HD2      ARG  53 -10.390   4.722 -21.829
  432    HD3  ARG  53           HD3      ARG  53 -11.099   3.332 -22.691
  433    HE   ARG  53           HE       ARG  53 -12.191   3.933 -20.015
  434   HH11  ARG  53          HH21      ARG  53 -12.643   4.366 -23.524
  435   HH12  ARG  53          HH22      ARG  53 -14.273   4.909 -23.382
  436   HH21  ARG  53          HH11      ARG  53 -14.275   4.776 -19.816
  437   HH22  ARG  53          HH12      ARG  53 -15.250   5.093 -21.221
  438    H    LYS  54           H        LYS  54  -6.229   3.779 -21.499
  439    HA   LYS  54           HA       LYS  54  -3.689   2.447 -21.853
  440    HB2  LYS  54           HB2      LYS  54  -4.886   2.196 -24.117
  441    HB3  LYS  54           HB3      LYS  54  -4.844   3.956 -24.256
  442    HG2  LYS  54           HG2      LYS  54  -2.325   3.847 -24.043
  443    HG3  LYS  54           HG3      LYS  54  -2.433   2.088 -23.976
  444    HD2  LYS  54           HD2      LYS  54  -3.352   3.828 -26.309
  445    HD3  LYS  54           HD3      LYS  54  -1.806   2.971 -26.214
  446    HE2  LYS  54           HE2      LYS  54  -3.024   0.801 -26.041
  447    HE3  LYS  54           HE3      LYS  54  -4.562   1.659 -26.196
  448    HZ1  LYS  54           HZ1      LYS  54  -2.435   1.595 -28.257
  449    HZ2  LYS  54           HZ2      LYS  54  -3.836   0.767 -28.311
  450    HZ3  LYS  54           HZ3      LYS  54  -3.856   2.393 -28.399
  451    H    THR  55           H        THR  55  -4.572   3.957 -19.911
  452    HA   THR  55           HA       THR  55  -3.695   6.770 -20.236
  453    HB   THR  55           HB       THR  55  -5.853   7.172 -18.787
  454    HG1  THR  55           HG1      THR  55  -7.427   5.680 -18.980
  455   HG21  THR  55          HG21      THR  55  -7.270   7.422 -20.723
  456   HG22  THR  55          HG22      THR  55  -5.622   7.897 -21.160
  457   HG23  THR  55          HG23      THR  55  -6.263   6.321 -21.680
  458    H    SER  56           H        SER  56  -4.337   7.447 -17.530
  459    HA   SER  56           HA       SER  56  -3.137   5.402 -15.783
  460    HB2  SER  56           HB2      SER  56  -2.171   8.280 -15.750
  461    HB3  SER  56           HB3      SER  56  -1.628   6.928 -14.734
  462    HG   SER  56           HG       SER  56  -0.189   7.388 -16.467
  463    H    THR  57           H        THR  57  -5.757   5.639 -15.908
  464    HA   THR  57           HA       THR  57  -6.621   7.385 -13.686
  465    HB   THR  57           HB       THR  57  -8.002   7.459 -16.386
  466    HG1  THR  57           HG1      THR  57  -6.032   9.223 -15.381
  467   HG21  THR  57          HG21      THR  57  -9.396   8.155 -14.499
  468   HG22  THR  57          HG22      THR  57  -8.151   9.300 -13.958
  469   HG23  THR  57          HG23      THR  57  -8.997   9.552 -15.505
  470    H    ILE  58           H        ILE  58  -7.834   6.142 -12.385
  471    HA   ILE  58           HA       ILE  58  -9.118   3.658 -13.286
  472    HB   ILE  58           HB       ILE  58  -8.850   5.155 -10.669
  473   HG12  ILE  58          HG12      ILE  58  -8.149   2.345 -11.637
  474   HG13  ILE  58          HG13      ILE  58  -7.019   3.688 -11.463
  475   HG21  ILE  58          HG21      ILE  58 -10.242   3.465  -9.526
  476   HG22  ILE  58          HG22      ILE  58 -11.194   4.404 -10.654
  477   HG23  ILE  58          HG23      ILE  58 -10.679   2.766 -11.103
  478   HD11  ILE  58          HD11      ILE  58  -8.431   2.160  -9.250
  479   HD12  ILE  58          HD12      ILE  58  -6.703   2.209  -9.623
  480   HD13  ILE  58          HD13      ILE  58  -7.502   3.662  -8.978
  481    H    GLU  59           H        GLU  59 -11.281   3.351 -13.516
  482    HA   GLU  59           HA       GLU  59 -13.110   5.706 -13.543
  483    HB2  GLU  59           HB2      GLU  59 -13.117   3.194 -15.285
  484    HB3  GLU  59           HB3      GLU  59 -14.406   4.402 -15.235
  485    HG2  GLU  59           HG2      GLU  59 -12.841   6.131 -16.064
  486    HG3  GLU  59           HG3      GLU  59 -11.529   4.947 -16.107
  487    H    GLU  60           H        GLU  60 -15.283   5.102 -12.733
  488    HA   GLU  60           HA       GLU  60 -15.212   2.770 -10.861
  489    HB2  GLU  60           HB2      GLU  60 -16.029   5.653 -10.324
  490    HB3  GLU  60           HB3      GLU  60 -16.329   4.294  -9.239
  491    HG2  GLU  60           HG2      GLU  60 -13.848   3.851  -9.185
  492    HG3  GLU  60           HG3      GLU  60 -13.612   5.335 -10.119
  493    H    LYS  61           H        LYS  61 -16.665   1.414 -11.774
  494    HA   LYS  61           HA       LYS  61 -19.283   2.540 -12.726
  495    HB2  LYS  61           HB2      LYS  61 -17.942   1.428 -14.449
  496    HB3  LYS  61           HB3      LYS  61 -17.807  -0.025 -13.443
  497    HG2  LYS  61           HG2      LYS  61 -20.205  -0.413 -13.564
  498    HG3  LYS  61           HG3      LYS  61 -20.453   1.084 -14.454
  499    HD2  LYS  61           HD2      LYS  61 -18.630  -1.140 -15.480
  500    HD3  LYS  61           HD3      LYS  61 -20.358  -1.202 -15.747
  501    HE2  LYS  61           HE2      LYS  61 -18.518   1.043 -16.683
  502    HE3  LYS  61           HE3      LYS  61 -19.137  -0.274 -17.684
  503    HZ1  LYS  61           HZ1      LYS  61 -20.463   1.715 -17.970
  504    HZ2  LYS  61           HZ2      LYS  61 -21.399   0.555 -17.283
  505    HZ3  LYS  61           HZ3      LYS  61 -20.824   1.774 -16.373
  506    H    THR  62           H        THR  62 -20.951   2.230 -11.280
  507    HA   THR  62           HA       THR  62 -20.745   0.392  -9.093
  508    HB   THR  62           HB       THR  62 -23.308   1.607 -10.184
  509    HG1  THR  62           HG1      THR  62 -22.721   3.528  -9.478
  510   HG21  THR  62          HG21      THR  62 -23.868   1.801  -7.795
  511   HG22  THR  62          HG22      THR  62 -23.428   0.126  -8.166
  512   HG23  THR  62          HG23      THR  62 -22.260   1.184  -7.346
  513    H    VAL  63           H        VAL  63 -21.309  -1.725  -8.979
  514    HA   VAL  63           HA       VAL  63 -22.867  -2.929 -11.217
  515    HB   VAL  63           HB       VAL  63 -21.204  -4.806 -11.210
  516   HG11  VAL  63          HG11      VAL  63 -21.227  -3.053 -12.987
  517   HG12  VAL  63          HG12      VAL  63 -19.971  -2.170 -12.092
  518   HG13  VAL  63          HG13      VAL  63 -19.635  -3.786 -12.731
  519   HG21  VAL  63          HG21      VAL  63 -20.027  -4.343  -9.067
  520   HG22  VAL  63          HG22      VAL  63 -18.915  -4.457 -10.437
  521   HG23  VAL  63          HG23      VAL  63 -19.335  -2.868  -9.776
  522    H    GLU  64           H        GLU  64 -23.970  -4.804 -10.762
  523    HA   GLU  64           HA       GLU  64 -24.234  -5.569  -7.880
  524    HB2  GLU  64           HB2      GLU  64 -26.352  -4.990  -9.003
  525    HB3  GLU  64           HB3      GLU  64 -26.009  -6.139 -10.300
  526    HG2  GLU  64           HG2      GLU  64 -26.114  -8.008  -8.689
  527    HG3  GLU  64           HG3      GLU  64 -26.323  -6.867  -7.357
  528    H    VAL  65           H        VAL  65 -23.295  -7.525  -7.379
  529    HA   VAL  65           HA       VAL  65 -21.858  -8.942  -9.564
  530    HB   VAL  65           HB       VAL  65 -21.292  -9.049  -6.579
  531   HG11  VAL  65          HG11      VAL  65 -20.332 -10.876  -7.930
  532   HG12  VAL  65          HG12      VAL  65 -19.652  -9.696  -9.072
  533   HG13  VAL  65          HG13      VAL  65 -19.043  -9.782  -7.410
  534   HG21  VAL  65          HG21      VAL  65 -20.061  -7.148  -8.627
  535   HG22  VAL  65          HG22      VAL  65 -21.005  -6.697  -7.194
  536   HG23  VAL  65          HG23      VAL  65 -19.427  -7.450  -6.997
  537    H    LEU  66           H        LEU  66 -22.762 -10.795 -10.206
  538    HA   LEU  66           HA       LEU  66 -25.105 -11.775  -8.756
  539    HB2  LEU  66           HB2      LEU  66 -23.799 -12.687 -11.362
  540    HB3  LEU  66           HB3      LEU  66 -25.260 -13.369 -10.689
  541    HG   LEU  66           HG       LEU  66 -25.969 -11.975 -12.391
  542   HD11  LEU  66          HD11      LEU  66 -27.295 -11.766 -10.292
  543   HD12  LEU  66          HD12      LEU  66 -26.387 -10.288  -9.892
  544   HD13  LEU  66          HD13      LEU  66 -27.405 -10.342 -11.340
  545   HD21  LEU  66          HD21      LEU  66 -25.405  -9.671 -12.752
  546   HD22  LEU  66          HD22      LEU  66 -24.407  -9.613 -11.294
  547   HD23  LEU  66          HD23      LEU  66 -23.918 -10.623 -12.677
  548    H    GLY  67           H        GLY  67 -21.747 -12.856  -9.208
  549    HA2  GLY  67           HA2      GLY  67 -21.464 -14.643  -7.188
  550    HA3  GLY  67           HA3      GLY  67 -22.243 -15.596  -8.473
  551    H    MET  68           H        MET  68 -19.846 -16.490  -8.021
  552    HA   MET  68           HA       MET  68 -17.730 -15.166  -9.512
  553    HB2  MET  68           HB2      MET  68 -17.940 -18.043  -8.571
  554    HB3  MET  68           HB3      MET  68 -16.544 -17.282  -9.346
  555    HG2  MET  68           HG2      MET  68 -16.848 -15.478  -7.407
  556    HG3  MET  68           HG3      MET  68 -17.666 -16.816  -6.604
  557    HE1  MET  68           HE1      MET  68 -14.478 -16.595  -9.025
  558    HE2  MET  68           HE2      MET  68 -14.393 -15.233  -7.886
  559    HE3  MET  68           HE3      MET  68 -13.210 -16.554  -7.794
  560    H    ALA  69           H        ALA  69 -16.812 -15.862 -11.475
  561    HA   ALA  69           HA       ALA  69 -18.776 -16.307 -13.544
  562    HB1  ALA  69           HB1      ALA  69 -16.876 -15.901 -15.027
  563    HB2  ALA  69           HB2      ALA  69 -16.766 -14.785 -13.667
  564    HB3  ALA  69           HB3      ALA  69 -15.743 -16.248 -13.716
  565    HA   PRO  70           HA       PRO  70 -18.446 -20.651 -14.454
  566    HB2  PRO  70           HB2      PRO  70 -17.210 -19.897 -17.109
  567    HB3  PRO  70           HB3      PRO  70 -18.490 -21.106 -16.767
  568    HG2  PRO  70           HG2      PRO  70 -19.177 -18.672 -17.708
  569    HG3  PRO  70           HG3      PRO  70 -20.101 -19.375 -16.338
  570    HD2  PRO  70           HD2      PRO  70 -17.881 -17.331 -16.266
  571    HD3  PRO  70           HD3      PRO  70 -19.438 -17.326 -15.381
  572    H    ASP  71           H        ASP  71 -17.114 -22.403 -14.604
  573    HA   ASP  71           HA       ASP  71 -14.539 -22.567 -13.607
  574    HB2  ASP  71           HB2      ASP  71 -15.906 -24.506 -13.825
  575    HB3  ASP  71           HB3      ASP  71 -16.153 -24.245 -15.549
  576    H    ASP  72           H        ASP  72 -15.551 -21.975 -16.963
  577    HA   ASP  72           HA       ASP  72 -13.127 -22.520 -18.264
  578    HB2  ASP  72           HB2      ASP  72 -15.324 -22.263 -19.368
  579    HB3  ASP  72           HB3      ASP  72 -15.306 -20.533 -19.015
  580    H    GLU  73           H        GLU  73 -13.877 -19.778 -16.268
  581    HA   GLU  73           HA       GLU  73 -11.410 -18.361 -17.222
  582    HB2  GLU  73           HB2      GLU  73 -14.017 -17.151 -16.211
  583    HB3  GLU  73           HB3      GLU  73 -12.530 -16.265 -16.580
  584    HG2  GLU  73           HG2      GLU  73 -12.632 -17.078 -18.934
  585    HG3  GLU  73           HG3      GLU  73 -14.175 -17.860 -18.583
  586    H    CYS  74           H        CYS  74 -13.455 -19.321 -14.430
  587    HA   CYS  74           HA       CYS  74 -11.689 -18.240 -12.471
  588    HB2  CYS  74           HB2      CYS  74 -13.875 -20.329 -12.376
  589    HB3  CYS  74           HB3      CYS  74 -12.952 -19.819 -10.944
  590    HG   CYS  74           HG       CYS  74 -15.494 -18.630 -11.824
  591    H    LEU  75           H        LEU  75 -10.924 -20.565 -14.598
  592    HA   LEU  75           HA       LEU  75  -9.295 -22.305 -12.902
  593    HB2  LEU  75           HB2      LEU  75  -9.829 -21.992 -15.858
  594    HB3  LEU  75           HB3      LEU  75  -8.352 -22.808 -15.372
  595    HG   LEU  75           HG       LEU  75 -11.057 -23.674 -14.292
  596   HD11  LEU  75          HD11      LEU  75  -9.562 -24.731 -16.738
  597   HD12  LEU  75          HD12      LEU  75 -11.025 -25.443 -16.014
  598   HD13  LEU  75          HD13      LEU  75 -11.101 -23.840 -16.750
  599   HD21  LEU  75          HD21      LEU  75  -9.025 -24.451 -13.040
  600   HD22  LEU  75          HD22      LEU  75  -9.904 -25.773 -13.811
  601   HD23  LEU  75          HD23      LEU  75  -8.408 -25.159 -14.545
  602    H    LYS  76           H        LYS  76  -8.936 -19.072 -14.062
  603    HA   LYS  76           HA       LYS  76  -6.025 -19.310 -13.443
  604    HB2  LYS  76           HB2      LYS  76  -5.390 -17.923 -15.240
  605    HB3  LYS  76           HB3      LYS  76  -6.364 -19.239 -15.897
  606    HG2  LYS  76           HG2      LYS  76  -8.327 -17.662 -16.003
  607    HG3  LYS  76           HG3      LYS  76  -7.268 -16.361 -15.429
  608    HD2  LYS  76           HD2      LYS  76  -5.792 -16.781 -17.459
  609    HD3  LYS  76           HD3      LYS  76  -6.995 -17.954 -18.009
  610    HE2  LYS  76           HE2      LYS  76  -7.542 -15.965 -19.167
  611    HE3  LYS  76           HE3      LYS  76  -8.736 -16.096 -17.875
  612    HZ1  LYS  76           HZ1      LYS  76  -6.393 -14.291 -17.987
  613    HZ2  LYS  76           HZ2      LYS  76  -7.975 -13.875 -17.892
  614    HZ3  LYS  76           HZ3      LYS  76  -7.234 -14.523 -16.602
  615    H    ASP  77           H        ASP  77  -8.967 -17.330 -13.177
  616    HA   ASP  77           HA       ASP  77  -7.590 -15.706 -11.139
  617    HB2  ASP  77           HB2      ASP  77  -7.011 -14.502 -13.193
  618    HB3  ASP  77           HB3      ASP  77  -8.697 -14.513 -13.703
  619    H    MET  78           H        MET  78  -9.158 -14.359  -9.943
  620    HA   MET  78           HA       MET  78 -11.632 -15.910  -9.578
  621    HB2  MET  78           HB2      MET  78 -10.444 -13.604  -7.996
  622    HB3  MET  78           HB3      MET  78 -11.887 -14.510  -7.547
  623    HG2  MET  78           HG2      MET  78  -9.058 -15.620  -7.760
  624    HG3  MET  78           HG3      MET  78  -9.937 -15.233  -6.294
  625    HE1  MET  78           HE1      MET  78  -8.819 -17.960  -8.601
  626    HE2  MET  78           HE2      MET  78 -10.124 -19.163  -8.627
  627    HE3  MET  78           HE3      MET  78 -10.296 -17.670  -9.551
  628    H    TYR  79           H        TYR  79 -12.557 -15.337 -11.635
  629    HA   TYR  79           HA       TYR  79 -13.379 -12.549 -12.090
  630    HB2  TYR  79           HB2      TYR  79 -13.823 -15.183 -13.523
  631    HB3  TYR  79           HB3      TYR  79 -14.644 -13.705 -13.999
  632    HD1  TYR  79           HD2      TYR  79 -13.304 -11.699 -14.774
  633    HD2  TYR  79           HD1      TYR  79 -11.583 -15.618 -14.246
  634    HE1  TYR  79           HE2      TYR  79 -11.481 -11.098 -16.333
  635    HE2  TYR  79           HE1      TYR  79  -9.787 -15.052 -15.835
  636    HH   TYR  79           HH       TYR  79  -9.564 -11.830 -17.433
  637    H    VAL  80           H        VAL  80 -15.543 -11.833 -12.072
  638    HA   VAL  80           HA       VAL  80 -17.619 -13.608 -10.887
  639    HB   VAL  80           HB       VAL  80 -18.393 -11.558  -9.648
  640   HG11  VAL  80          HG11      VAL  80 -17.323 -13.350  -8.425
  641   HG12  VAL  80          HG12      VAL  80 -15.707 -12.719  -8.812
  642   HG13  VAL  80          HG13      VAL  80 -16.812 -11.804  -7.763
  643   HG21  VAL  80          HG21      VAL  80 -17.034  -9.838 -10.868
  644   HG22  VAL  80          HG22      VAL  80 -16.838  -9.764  -9.113
  645   HG23  VAL  80          HG23      VAL  80 -15.568 -10.493 -10.112
  646    H    GLU  81           H        GLU  81 -19.754 -13.151 -11.554
  647    HA   GLU  81           HA       GLU  81 -19.954 -11.748 -14.170
  648    HB2  GLU  81           HB2      GLU  81 -21.900 -13.439 -12.543
  649    HB3  GLU  81           HB3      GLU  81 -22.350 -12.550 -14.009
  650    HG2  GLU  81           HG2      GLU  81 -20.587 -13.795 -15.275
  651    HG3  GLU  81           HG3      GLU  81 -20.246 -14.739 -13.826
  652    H    VAL  82           H        VAL  82 -21.072  -9.832 -14.407
  653    HA   VAL  82           HA       VAL  82 -22.094  -8.526 -11.965
  654    HB   VAL  82           HB       VAL  82 -20.800  -6.481 -12.590
  655   HG11  VAL  82          HG11      VAL  82 -18.753  -7.130 -11.496
  656   HG12  VAL  82          HG12      VAL  82 -20.106  -7.990 -10.750
  657   HG13  VAL  82          HG13      VAL  82 -19.026  -8.844 -11.870
  658   HG21  VAL  82          HG21      VAL  82 -18.829  -6.579 -13.965
  659   HG22  VAL  82          HG22      VAL  82 -19.074  -8.307 -14.307
  660   HG23  VAL  82          HG23      VAL  82 -20.199  -7.088 -14.942
  661    H    ALA  83           H        ALA  83 -23.632  -6.982 -12.311
  662    HA   ALA  83           HA       ALA  83 -24.522  -6.525 -15.137
  663    HB1  ALA  83           HB1      ALA  83 -26.179  -6.577 -12.584
  664    HB2  ALA  83           HB2      ALA  83 -26.770  -6.113 -14.196
  665    HB3  ALA  83           HB3      ALA  83 -26.219  -7.772 -13.904
  666    H    ASP  84           H        ASP  84 -24.659  -4.441 -15.785
  667    HA   ASP  84           HA       ASP  84 -23.125  -2.522 -14.223
  668    HB2  ASP  84           HB2      ASP  84 -22.707  -2.878 -16.602
  669    HB3  ASP  84           HB3      ASP  84 -24.362  -2.377 -16.984
  670    H    ILE  85           H        ILE  85 -24.965  -2.616 -12.554
  671    HA   ILE  85           HA       ILE  85 -27.364  -1.162 -12.995
  672    HB   ILE  85           HB       ILE  85 -27.504  -0.935 -10.579
  673   HG12  ILE  85          HG12      ILE  85 -24.725  -2.119 -10.411
  674   HG13  ILE  85          HG13      ILE  85 -25.108  -0.428 -10.103
  675   HG21  ILE  85          HG21      ILE  85 -27.686  -3.285 -10.087
  676   HG22  ILE  85          HG22      ILE  85 -28.057  -3.074 -11.795
  677   HG23  ILE  85          HG23      ILE  85 -26.471  -3.708 -11.312
  678   HD11  ILE  85          HD11      ILE  85 -26.557  -1.080  -8.209
  679   HD12  ILE  85          HD12      ILE  85 -26.140  -2.788  -8.477
  680   HD13  ILE  85          HD13      ILE  85 -24.887  -1.647  -7.999
  681    H    GLY  86           H        GLY  86 -24.127   0.038 -12.866
  682    HA2  GLY  86           HA2      GLY  86 -24.844   2.800 -12.208
  683    HA3  GLY  86           HA3      GLY  86 -23.264   2.154 -12.680
  684    H    GLY  87           H        GLY  87 -25.183   0.872 -15.027
  685    HA2  GLY  87           HA2      GLY  87 -25.372   3.255 -16.780
  686    HA3  GLY  87           HA3      GLY  87 -24.181   2.007 -17.169
  687    H    LYS  88           H        LYS  88 -24.871   0.014 -18.007
  688    HA   LYS  88           HA       LYS  88 -27.176   0.216 -19.630
  689    HB2  LYS  88           HB2      LYS  88 -25.681  -2.333 -18.874
  690    HB3  LYS  88           HB3      LYS  88 -26.761  -2.149 -20.240
  691    HG2  LYS  88           HG2      LYS  88 -24.079  -0.762 -19.844
  692    HG3  LYS  88           HG3      LYS  88 -24.437  -2.065 -20.956
  693    HD2  LYS  88           HD2      LYS  88 -25.534   0.773 -21.128
  694    HD3  LYS  88           HD3      LYS  88 -24.252   0.072 -22.118
  695    HE2  LYS  88           HE2      LYS  88 -25.853  -1.621 -23.003
  696    HE3  LYS  88           HE3      LYS  88 -27.151  -0.886 -22.053
  697    HZ1  LYS  88           HZ1      LYS  88 -26.838   1.156 -23.331
  698    HZ2  LYS  88           HZ2      LYS  88 -25.641   0.472 -24.211
  699    HZ3  LYS  88           HZ3      LYS  88 -27.164  -0.090 -24.327
  700    H    ASP  89           H        ASP  89 -26.831  -1.293 -16.499
  701    HA   ASP  89           HA       ASP  89 -28.105  -2.210 -14.989
  702    HB2  ASP  89           HB2      ASP  89 -29.120  -0.011 -15.054
  703    HB3  ASP  89           HB3      ASP  89 -30.256  -0.532 -16.301
  704    H    ASP  90           H        ASP  90 -29.369  -2.815 -18.185
  705    HA   ASP  90           HA       ASP  90 -31.006  -5.098 -17.231
  706    HB2  ASP  90           HB2      ASP  90 -32.025  -3.144 -18.431
  707    HB3  ASP  90           HB3      ASP  90 -31.004  -3.525 -19.822
  708    H    ASP  91           H        ASP  91 -27.953  -4.885 -18.041
  709    HA   ASP  91           HA       ASP  91 -27.928  -7.433 -19.518
  710    HB2  ASP  91           HB2      ASP  91 -27.614  -5.455 -21.150
  711    HB3  ASP  91           HB3      ASP  91 -26.047  -5.223 -20.363
  712    H    VAL  92           H        VAL  92 -25.718  -8.389 -19.474
  713    HA   VAL  92           HA       VAL  92 -24.370  -7.883 -16.881
  714    HB   VAL  92           HB       VAL  92 -26.220  -9.425 -16.551
  715   HG11  VAL  92          HG11      VAL  92 -24.954 -11.251 -18.629
  716   HG12  VAL  92          HG12      VAL  92 -26.339 -11.639 -17.589
  717   HG13  VAL  92          HG13      VAL  92 -26.488 -10.367 -18.800
  718   HG21  VAL  92          HG21      VAL  92 -23.574 -10.906 -16.385
  719   HG22  VAL  92          HG22      VAL  92 -24.287  -9.824 -15.163
  720   HG23  VAL  92          HG23      VAL  92 -25.080 -11.345 -15.555
  721    H    TYR  93           H        TYR  93 -22.298  -8.646 -16.721
  722    HA   TYR  93           HA       TYR  93 -20.792  -9.494 -19.127
  723    HB2  TYR  93           HB2      TYR  93 -20.199  -7.045 -17.399
  724    HB3  TYR  93           HB3      TYR  93 -19.246  -7.606 -18.762
  725    HD1  TYR  93           HD2      TYR  93 -20.124  -7.424 -21.101
  726    HD2  TYR  93           HD1      TYR  93 -22.192  -5.688 -17.732
  727    HE1  TYR  93           HE2      TYR  93 -21.438  -6.011 -22.646
  728    HE2  TYR  93           HE1      TYR  93 -23.525  -4.278 -19.272
  729    HH   TYR  93           HH       TYR  93 -23.089  -4.394 -22.846
  730    H    THR  94           H        THR  94 -18.251  -9.262 -18.002
  731    HA   THR  94           HA       THR  94 -18.368 -10.683 -15.400
  732    HB   THR  94           HB       THR  94 -16.467 -11.395 -17.663
  733    HG1  THR  94           HG1      THR  94 -18.556 -11.982 -18.250
  734   HG21  THR  94          HG21      THR  94 -15.676 -11.995 -15.381
  735   HG22  THR  94          HG22      THR  94 -17.193 -12.874 -15.094
  736   HG23  THR  94          HG23      THR  94 -16.054 -13.431 -16.339
  737    H    ALA  95           H        ALA  95 -16.642 -10.158 -14.026
  738    HA   ALA  95           HA       ALA  95 -14.723  -8.070 -14.885
  739    HB1  ALA  95           HB1      ALA  95 -16.613  -6.863 -13.845
  740    HB2  ALA  95           HB2      ALA  95 -16.504  -7.908 -12.411
  741    HB3  ALA  95           HB3      ALA  95 -15.183  -6.788 -12.809
  742    H    LYS  96           H        LYS  96 -12.942  -7.874 -13.405
  743    HA   LYS  96           HA       LYS  96 -12.107 -10.453 -12.233
  744    HB2  LYS  96           HB2      LYS  96 -10.747  -7.730 -12.244
  745    HB3  LYS  96           HB3      LYS  96  -9.988  -9.255 -11.839
  746    HG2  LYS  96           HG2      LYS  96  -9.818  -9.955 -14.050
  747    HG3  LYS  96           HG3      LYS  96 -11.174  -9.000 -14.621
  748    HD2  LYS  96           HD2      LYS  96  -8.529  -7.796 -13.741
  749    HD3  LYS  96           HD3      LYS  96  -8.950  -8.183 -15.418
  750    HE2  LYS  96           HE2      LYS  96 -10.845  -6.614 -15.383
  751    HE3  LYS  96           HE3      LYS  96 -10.605  -6.310 -13.669
  752    HZ1  LYS  96           HZ1      LYS  96  -8.929  -5.378 -15.885
  753    HZ2  LYS  96           HZ2      LYS  96  -9.589  -4.533 -14.622
  754    HZ3  LYS  96           HZ3      LYS  96  -8.300  -5.492 -14.378
  755    H    LEU  97           H        LEU  97 -12.560 -10.882 -10.012
  756    HA   LEU  97           HA       LEU  97 -13.821  -8.944  -8.326
  757    HB2  LEU  97           HB2      LEU  97 -13.878 -11.407  -7.940
  758    HB3  LEU  97           HB3      LEU  97 -12.146 -11.381  -7.590
  759    HG   LEU  97           HG       LEU  97 -12.556  -9.927  -5.616
  760   HD11  LEU  97          HD11      LEU  97 -14.916  -9.666  -4.794
  761   HD12  LEU  97          HD12      LEU  97 -14.615  -8.761  -6.269
  762   HD13  LEU  97          HD13      LEU  97 -15.504 -10.300  -6.341
  763   HD21  LEU  97          HD21      LEU  97 -12.468 -12.392  -5.465
  764   HD22  LEU  97          HD22      LEU  97 -13.494 -11.682  -4.225
  765   HD23  LEU  97          HD23      LEU  97 -14.238 -12.459  -5.642
  766    H    SER  98           H        SER  98 -10.454  -9.841  -8.935
  767    HA   SER  98           HA       SER  98  -8.958  -8.400  -7.174
  768    HB2  SER  98           HB2      SER  98  -8.436  -8.656 -10.155
  769    HB3  SER  98           HB3      SER  98  -7.258  -8.677  -8.837
  770    HG   SER  98           HG       SER  98  -7.919 -10.793  -9.778
  771    H    ASP  99           H        ASP  99 -11.101  -6.988  -9.569
  772    HA   ASP  99           HA       ASP  99  -9.694  -4.378  -9.382
  773    HB2  ASP  99           HB2      ASP  99  -9.627  -5.751 -11.579
  774    HB3  ASP  99           HB3      ASP  99 -11.342  -5.370 -11.731
  775    H    ILE 100           H        ILE 100 -12.060  -5.815  -7.977
  776    HA   ILE 100           HA       ILE 100 -14.033  -3.590  -8.194
  777    HB   ILE 100           HB       ILE 100 -14.301  -6.547  -8.066
  778   HG12  ILE 100          HG12      ILE 100 -16.116  -4.326  -9.082
  779   HG13  ILE 100          HG13      ILE 100 -14.825  -5.086 -10.034
  780   HG21  ILE 100          HG21      ILE 100 -16.470  -6.641  -6.999
  781   HG22  ILE 100          HG22      ILE 100 -15.293  -6.032  -5.857
  782   HG23  ILE 100          HG23      ILE 100 -16.424  -4.902  -6.646
  783   HD11  ILE 100          HD11      ILE 100 -16.908  -6.022 -10.703
  784   HD12  ILE 100          HD12      ILE 100 -16.047  -7.278  -9.783
  785   HD13  ILE 100          HD13      ILE 100 -17.393  -6.367  -9.040
  786    H    GLU 101           H        GLU 101 -14.999  -2.880  -6.398
  787    HA   GLU 101           HA       GLU 101 -13.717  -3.385  -3.748
  788    HB2  GLU 101           HB2      GLU 101 -13.168  -1.156  -4.554
  789    HB3  GLU 101           HB3      GLU 101 -14.860  -0.837  -4.973
  790    HG2  GLU 101           HG2      GLU 101 -15.522  -0.810  -2.652
  791    HG3  GLU 101           HG3      GLU 101 -13.960  -1.450  -2.140
  792    H    ALA 102           H        ALA 102 -15.151  -4.437  -2.451
  793    HA   ALA 102           HA       ALA 102 -17.878  -4.877  -3.384
  794    HB1  ALA 102           HB1      ALA 102 -17.994  -6.413  -1.512
  795    HB2  ALA 102           HB2      ALA 102 -16.446  -6.631  -2.348
  796    HB3  ALA 102           HB3      ALA 102 -16.502  -5.754  -0.802
  797    H    ILE 103           H        ILE 103 -19.713  -4.018  -2.561
  798    HA   ILE 103           HA       ILE 103 -19.566  -2.095  -0.277
  799    HB   ILE 103           HB       ILE 103 -20.844  -1.857  -3.013
  800   HG12  ILE 103          HG12      ILE 103 -18.905  -0.001  -1.561
  801   HG13  ILE 103          HG13      ILE 103 -18.416  -1.207  -2.746
  802   HG21  ILE 103          HG21      ILE 103 -21.866   0.277  -2.285
  803   HG22  ILE 103          HG22      ILE 103 -22.504  -1.070  -1.369
  804   HG23  ILE 103          HG23      ILE 103 -21.283  -0.006  -0.629
  805   HD11  ILE 103          HD11      ILE 103 -20.142   1.214  -3.324
  806   HD12  ILE 103          HD12      ILE 103 -18.481   0.898  -3.839
  807   HD13  ILE 103          HD13      ILE 103 -19.802  -0.106  -4.474
  808    H    ASP 104           H        ASP 104 -21.167  -2.275   1.211
  809    HA   ASP 104           HA       ASP 104 -22.891  -3.042   2.373
  810    HB2  ASP 104           HB2      ASP 104 -24.109  -1.838   0.577
  811    HB3  ASP 104           HB3      ASP 104 -24.326  -3.365  -0.278
  812    H    VAL 105           H        VAL 105 -20.908  -5.037   1.317
  813    HA   VAL 105           HA       VAL 105 -22.326  -7.570   1.192
  814    HB   VAL 105           HB       VAL 105 -19.902  -8.436   1.532
  815   HG11  VAL 105          HG11      VAL 105 -19.409  -8.076  -0.827
  816   HG12  VAL 105          HG12      VAL 105 -21.104  -8.473  -0.535
  817   HG13  VAL 105          HG13      VAL 105 -20.642  -6.787  -0.898
  818   HG21  VAL 105          HG21      VAL 105 -18.078  -7.009   1.071
  819   HG22  VAL 105          HG22      VAL 105 -19.114  -5.596   0.781
  820   HG23  VAL 105          HG23      VAL 105 -18.963  -6.279   2.421
  821    H    ASP 106           H        ASP 106 -21.781  -9.331   2.647
  822    HA   ASP 106           HA       ASP 106 -22.181  -8.688   5.486
  823    HB2  ASP 106           HB2      ASP 106 -23.180 -10.711   4.502
  824    HB3  ASP 106           HB3      ASP 106 -21.568 -11.293   4.043
  825    H    ASP 107           H        ASP 107 -20.589  -9.399   7.102
  826    HA   ASP 107           HA       ASP 107 -17.965  -8.381   6.664
  827    HB2  ASP 107           HB2      ASP 107 -19.005  -8.492   8.875
  828    HB3  ASP 107           HB3      ASP 107 -19.050 -10.256   8.798
  829    H    ASP 108           H        ASP 108 -19.168 -11.820   6.566
  830    HA   ASP 108           HA       ASP 108 -16.438 -12.787   6.355
  831    HB2  ASP 108           HB2      ASP 108 -18.571 -14.040   7.210
  832    HB3  ASP 108           HB3      ASP 108 -18.865 -14.374   5.493
  833    H    THR 109           H        THR 109 -18.862 -11.654   4.115
  834    HA   THR 109           HA       THR 109 -17.684 -12.794   1.692
  835    HB   THR 109           HB       THR 109 -19.715 -10.590   2.234
  836    HG1  THR 109           HG1      THR 109 -20.203 -12.865   2.673
  837   HG21  THR 109          HG21      THR 109 -20.369 -10.711  -0.100
  838   HG22  THR 109          HG22      THR 109 -18.665 -10.222   0.000
  839   HG23  THR 109          HG23      THR 109 -19.098 -11.885  -0.439
  840    H    GLN 110           H        GLN 110 -17.703  -9.541   3.349
  841    HA   GLN 110           HA       GLN 110 -15.909  -8.298   1.592
  842    HB2  GLN 110           HB2      GLN 110 -17.369  -7.410   3.625
  843    HB3  GLN 110           HB3      GLN 110 -15.915  -7.678   4.567
  844    HG2  GLN 110           HG2      GLN 110 -16.157  -5.922   2.075
  845    HG3  GLN 110           HG3      GLN 110 -16.160  -5.344   3.731
  846   HE21  GLN 110          HE22      GLN 110 -14.164  -5.859   1.034
  847   HE22  GLN 110          HE21      GLN 110 -12.625  -5.824   1.852
  848    H    GLU 111           H        GLU 111 -15.222 -10.136   4.633
  849    HA   GLU 111           HA       GLU 111 -12.424  -9.744   4.582
  850    HB2  GLU 111           HB2      GLU 111 -14.201 -11.896   5.785
  851    HB3  GLU 111           HB3      GLU 111 -12.458 -11.888   6.025
  852    HG2  GLU 111           HG2      GLU 111 -14.214  -9.496   6.754
  853    HG3  GLU 111           HG3      GLU 111 -13.861 -10.815   7.861
  854    H    ALA 112           H        ALA 112 -14.429 -12.237   2.931
  855    HA   ALA 112           HA       ALA 112 -12.172 -13.844   2.127
  856    HB1  ALA 112           HB1      ALA 112 -14.917 -13.576   0.816
  857    HB2  ALA 112           HB2      ALA 112 -13.738 -14.883   0.570
  858    HB3  ALA 112           HB3      ALA 112 -14.505 -14.680   2.151
  859    H    ILE 113           H        ILE 113 -13.971 -11.146   0.588
  860    HA   ILE 113           HA       ILE 113 -12.497 -11.153  -1.868
  861    HB   ILE 113           HB       ILE 113 -14.078  -8.974  -0.434
  862   HG12  ILE 113          HG12      ILE 113 -14.878 -10.745  -2.788
  863   HG13  ILE 113          HG13      ILE 113 -15.298 -11.110  -1.138
  864   HG21  ILE 113          HG21      ILE 113 -12.553  -7.901  -2.022
  865   HG22  ILE 113          HG22      ILE 113 -13.033  -9.032  -3.300
  866   HG23  ILE 113          HG23      ILE 113 -14.186  -7.838  -2.664
  867   HD11  ILE 113          HD11      ILE 113 -16.258  -8.761  -2.770
  868   HD12  ILE 113          HD12      ILE 113 -17.197 -10.087  -2.072
  869   HD13  ILE 113          HD13      ILE 113 -16.475  -8.871  -0.998
  870    H    ALA 114           H        ALA 114 -12.087  -9.309   1.210
  871    HA   ALA 114           HA       ALA 114  -9.833  -7.799   0.427
  872    HB1  ALA 114           HB1      ALA 114  -9.434  -7.541   2.836
  873    HB2  ALA 114           HB2      ALA 114 -11.162  -7.370   2.477
  874    HB3  ALA 114           HB3      ALA 114 -10.545  -8.877   3.192
  875    H    ASP 115           H        ASP 115 -10.044 -11.082   1.899
  876    HA   ASP 115           HA       ASP 115  -7.231 -11.408   2.183
  877    HB2  ASP 115           HB2      ASP 115  -8.904 -12.746   3.401
  878    HB3  ASP 115           HB3      ASP 115  -9.380 -13.534   1.890
  879    H    TRP 116           H        TRP 116  -9.434 -12.206  -0.557
  880    HA   TRP 116           HA       TRP 116  -7.413 -13.450  -2.185
  881    HB2  TRP 116           HB2      TRP 116  -9.678 -13.734  -2.870
  882    HB3  TRP 116           HB3      TRP 116 -10.002 -12.003  -2.824
  883    HD1  TRP 116           HD1      TRP 116  -9.919 -10.803  -5.059
  884    HE1  TRP 116           HE1      TRP 116  -8.790 -11.137  -7.347
  885    HE3  TRP 116           HE3      TRP 116  -7.341 -15.121  -4.092
  886    HZ2  TRP 116           HZ2      TRP 116  -6.951 -12.977  -8.556
  887    HZ3  TRP 116           HZ3      TRP 116  -5.934 -16.158  -5.835
  888    HH2  TRP 116           HH2      TRP 116  -5.705 -15.081  -8.073
  889    H    LEU 117           H        LEU 117  -8.479 -10.018  -1.833
  890    HA   LEU 117           HA       LEU 117  -6.750  -8.999  -3.851
  891    HB2  LEU 117           HB2      LEU 117  -7.969  -7.723  -1.373
  892    HB3  LEU 117           HB3      LEU 117  -7.032  -6.808  -2.542
  893    HG   LEU 117           HG       LEU 117  -9.460  -8.435  -3.404
  894   HD11  LEU 117          HD11      LEU 117 -10.781  -6.356  -3.245
  895   HD12  LEU 117          HD12      LEU 117 -10.217  -6.902  -1.659
  896   HD13  LEU 117          HD13      LEU 117  -9.406  -5.538  -2.463
  897   HD21  LEU 117          HD21      LEU 117  -8.079  -6.012  -4.632
  898   HD22  LEU 117          HD22      LEU 117  -7.931  -7.686  -5.200
  899   HD23  LEU 117          HD23      LEU 117  -9.495  -6.861  -5.284
  900    H    TYR 118           H        TYR 118  -6.243  -9.396  -0.290
  901    HA   TYR 118           HA       TYR 118  -3.605  -8.331  -0.253
  902    HB2  TYR 118           HB2      TYR 118  -4.807 -10.474   1.537
  903    HB3  TYR 118           HB3      TYR 118  -3.351  -9.552   1.873
  904    HD1  TYR 118           HD2      TYR 118  -4.541  -6.756   0.952
  905    HD2  TYR 118           HD1      TYR 118  -5.923  -9.903   3.573
  906    HE1  TYR 118           HE2      TYR 118  -5.882  -5.117   2.203
  907    HE2  TYR 118           HE1      TYR 118  -7.272  -8.259   4.834
  908    HH   TYR 118           HH       TYR 118  -7.358  -4.766   3.974
  909    H    TRP 119           H        TRP 119  -4.757 -11.726  -0.780
  910    HA   TRP 119           HA       TRP 119  -2.155 -12.879  -1.013
  911    HB2  TRP 119           HB2      TRP 119  -3.976 -14.358  -0.792
  912    HB3  TRP 119           HB3      TRP 119  -4.896 -13.591  -2.080
  913    HD1  TRP 119           HD1      TRP 119  -4.473 -14.286  -4.527
  914    HE1  TRP 119           HE1      TRP 119  -3.203 -16.173  -5.677
  915    HE3  TRP 119           HE3      TRP 119  -1.718 -15.920  -0.534
  916    HZ2  TRP 119           HZ2      TRP 119  -1.230 -18.170  -4.946
  917    HZ3  TRP 119           HZ3      TRP 119  -0.152 -17.826  -0.790
  918    HH2  TRP 119           HH2      TRP 119   0.102 -18.958  -2.991
  919    H    LEU 120           H        LEU 120  -4.272 -11.333  -3.531
  920    HA   LEU 120           HA       LEU 120  -2.472 -12.017  -5.612
  921    HB2  LEU 120           HB2      LEU 120  -4.870 -11.362  -5.916
  922    HB3  LEU 120           HB3      LEU 120  -4.445  -9.696  -5.503
  923    HG   LEU 120           HG       LEU 120  -2.919  -9.603  -7.484
  924   HD11  LEU 120          HD11      LEU 120  -3.998 -12.406  -8.051
  925   HD12  LEU 120          HD12      LEU 120  -3.116 -11.402  -9.224
  926   HD13  LEU 120          HD13      LEU 120  -2.300 -11.960  -7.767
  927   HD21  LEU 120          HD21      LEU 120  -5.248  -8.853  -7.649
  928   HD22  LEU 120          HD22      LEU 120  -4.699  -9.553  -9.180
  929   HD23  LEU 120          HD23      LEU 120  -5.759 -10.495  -8.106
  930    H    ALA 121           H        ALA 121  -2.718  -9.154  -3.498
  931    HA   ALA 121           HA       ALA 121  -0.624  -7.633  -4.703
  932    HB1  ALA 121           HB1      ALA 121  -1.786  -7.678  -1.884
  933    HB2  ALA 121           HB2      ALA 121  -0.701  -6.412  -2.514
  934    HB3  ALA 121           HB3      ALA 121  -2.311  -6.655  -3.230
  935    H    ARG 122           H        ARG 122  -0.594 -10.067  -2.042
  936    HA   ARG 122           HA       ARG 122   2.196  -9.959  -1.461
  937    HB2  ARG 122           HB2      ARG 122   0.578 -11.130  -0.016
  938    HB3  ARG 122           HB3      ARG 122   0.138 -12.205  -1.320
  939    HG2  ARG 122           HG2      ARG 122   1.455 -13.441   0.151
  940    HG3  ARG 122           HG3      ARG 122   2.411 -13.197  -1.298
  941    HD2  ARG 122           HD2      ARG 122   3.501 -11.203  -0.030
  942    HD3  ARG 122           HD3      ARG 122   2.745 -11.862   1.424
  943    HE   ARG 122           HE       ARG 122   5.075 -12.810   0.020
  944   HH11  ARG 122          HH11      ARG 122   2.372 -14.082   1.971
  945   HH12  ARG 122          HH12      ARG 122   3.057 -15.681   2.073
  946   HH21  ARG 122          HH21      ARG 122   6.039 -14.878   0.391
  947   HH22  ARG 122          HH22      ARG 122   5.183 -16.083   1.307
  948    H    GLY 123           H        GLY 123   0.357 -11.495  -4.054
  949    HA2  GLY 123           HA2      GLY 123   1.858 -11.282  -6.104
  950    HA3  GLY 123           HA3      GLY 123   2.840 -12.538  -5.342
  951    H    TYR 124           H        TYR 124   1.279 -12.483  -7.848
  952    HA   TYR 124           HA       TYR 124  -0.748 -14.584  -7.621
  953    HB2  TYR 124           HB2      TYR 124  -0.753 -12.842  -9.418
  954    HB3  TYR 124           HB3      TYR 124   0.735 -13.505 -10.059
  955    HD1  TYR 124           HD1      TYR 124  -2.894 -14.129  -9.510
  956    HD2  TYR 124           HD2      TYR 124   0.708 -15.543 -11.420
  957    HE1  TYR 124           HE1      TYR 124  -4.242 -15.658 -10.904
  958    HE2  TYR 124           HE2      TYR 124  -0.629 -17.106 -12.795
  959    HH   TYR 124           HH       TYR 124  -4.219 -17.237 -12.587
  960    H    LYS 125           H        LYS 125   0.613 -15.995  -6.249
  961    HA   LYS 125           HA       LYS 125   2.718 -17.515  -7.709
  962    HB2  LYS 125           HB2      LYS 125   2.766 -16.420  -4.861
  963    HB3  LYS 125           HB3      LYS 125   3.973 -17.508  -5.527
  964    HG2  LYS 125           HG2      LYS 125   3.398 -14.695  -6.537
  965    HG3  LYS 125           HG3      LYS 125   4.698 -15.134  -5.449
  966    HD2  LYS 125           HD2      LYS 125   4.391 -16.071  -8.333
  967    HD3  LYS 125           HD3      LYS 125   5.496 -14.836  -7.766
  968    HE2  LYS 125           HE2      LYS 125   5.584 -17.780  -6.953
  969    HE3  LYS 125           HE3      LYS 125   6.573 -17.040  -8.208
  970    HZ1  LYS 125           HZ1      LYS 125   6.680 -16.317  -5.337
  971    HZ2  LYS 125           HZ2      LYS 125   7.788 -17.188  -6.151
  972    HZ3  LYS 125           HZ3      LYS 125   7.572 -15.619  -6.519
  973    H    PHE 126           H        PHE 126   0.212 -18.478  -7.795
  974    HA   PHE 126           HA       PHE 126  -0.578 -20.270  -5.731
  975    HB2  PHE 126           HB2      PHE 126  -0.719 -20.611  -8.751
  976    HB3  PHE 126           HB3      PHE 126  -1.516 -21.639  -7.582
  977    HD1  PHE 126           HD1      PHE 126  -2.845 -19.890  -5.670
  978    HD2  PHE 126           HD2      PHE 126  -2.344 -19.402  -9.934
  979    HE1  PHE 126           HE1      PHE 126  -4.877 -18.482  -5.764
  980    HE2  PHE 126           HE2      PHE 126  -4.427 -18.072 -10.020
  981    HZ   PHE 126           HZ       PHE 126  -5.699 -17.605  -7.936
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   5.575  -6.806  -4.824
    2    H2   MET   1           H2       MET   1   5.931  -7.640  -3.458
    3    H3   MET   1           H3       MET   1   4.415  -7.702  -4.081
    4    HA   MET   1           HA       MET   1   5.699  -5.303  -2.971
    5    HB2  MET   1           HB2      MET   1   4.144  -4.766  -4.794
    6    HB3  MET   1           HB3      MET   1   2.864  -5.700  -4.021
    7    HG2  MET   1           HG2      MET   1   2.953  -4.160  -2.062
    8    HG3  MET   1           HG3      MET   1   4.185  -3.201  -2.886
    9    HE1  MET   1           HE1      MET   1   2.201  -1.462  -5.752
   10    HE2  MET   1           HE2      MET   1   3.742  -1.590  -4.877
   11    HE3  MET   1           HE3      MET   1   3.182  -2.932  -5.904
   12    H    ALA   2           H        ALA   2   6.135  -5.921  -0.865
   13    HA   ALA   2           HA       ALA   2   4.289  -7.641   0.608
   14    HB1  ALA   2           HB1      ALA   2   6.828  -6.205   1.489
   15    HB2  ALA   2           HB2      ALA   2   5.982  -7.495   2.369
   16    HB3  ALA   2           HB3      ALA   2   6.743  -7.854   0.812
   17    H    SER   3           H        SER   3   4.034  -4.392  -0.111
   18    HA   SER   3           HA       SER   3   3.538  -3.169   2.353
   19    HB2  SER   3           HB2      SER   3   2.171  -2.499  -0.269
   20    HB3  SER   3           HB3      SER   3   2.657  -1.397   1.032
   21    HG   SER   3           HG       SER   3   4.140  -1.289  -0.678
   22    H    VAL   4           H        VAL   4   1.580  -5.646   0.905
   23    HA   VAL   4           HA       VAL   4  -0.969  -4.659   1.954
   24    HB   VAL   4           HB       VAL   4  -1.782  -6.768   0.913
   25   HG11  VAL   4          HG11      VAL   4  -1.762  -4.599  -0.314
   26   HG12  VAL   4          HG12      VAL   4  -0.204  -5.046  -1.043
   27   HG13  VAL   4          HG13      VAL   4  -1.660  -6.004  -1.376
   28   HG21  VAL   4          HG21      VAL   4   0.292  -8.136   1.031
   29   HG22  VAL   4          HG22      VAL   4  -0.377  -8.060  -0.600
   30   HG23  VAL   4          HG23      VAL   4   1.042  -7.099  -0.206
   31    H    GLU   5           H        GLU   5  -2.025  -6.900   2.921
   32    HA   GLU   5           HA       GLU   5  -0.652  -7.292   5.479
   33    HB2  GLU   5           HB2      GLU   5  -3.104  -8.686   4.324
   34    HB3  GLU   5           HB3      GLU   5  -2.457  -8.885   5.961
   35    HG2  GLU   5           HG2      GLU   5  -2.750  -6.385   6.287
   36    HG3  GLU   5           HG3      GLU   5  -3.627  -6.344   4.756
   37    H    ARG   6           H        ARG   6   0.918  -8.777   5.798
   38    HA   ARG   6           HA       ARG   6   0.707 -11.393   4.575
   39    HB2  ARG   6           HB2      ARG   6   2.902 -11.528   3.812
   40    HB3  ARG   6           HB3      ARG   6   2.241 -10.035   3.147
   41    HG2  ARG   6           HG2      ARG   6   4.249 -10.175   5.441
   42    HG3  ARG   6           HG3      ARG   6   4.620  -9.947   3.745
   43    HD2  ARG   6           HD2      ARG   6   4.671  -7.783   4.422
   44    HD3  ARG   6           HD3      ARG   6   3.001  -7.905   3.849
   45    HE   ARG   6           HE       ARG   6   3.079  -8.550   6.615
   46   HH11  ARG   6          HH11      ARG   6   3.428  -5.762   4.454
   47   HH12  ARG   6          HH12      ARG   6   3.176  -4.570   5.692
   48   HH21  ARG   6          HH21      ARG   6   2.620  -6.986   8.251
   49   HH22  ARG   6          HH22      ARG   6   2.634  -5.302   7.895
   50    H    ASP   7           H        ASP   7   0.850 -12.810   6.229
   51    HA   ASP   7           HA       ASP   7   2.391 -12.294   8.642
   52    HB2  ASP   7           HB2      ASP   7   0.303 -10.979   9.068
   53    HB3  ASP   7           HB3      ASP   7  -0.664 -12.413   8.715
   54    H    GLU   8           H        GLU   8   2.551 -14.266   9.859
   55    HA   GLU   8           HA       GLU   8   2.538 -16.633   8.353
   56    HB2  GLU   8           HB2      GLU   8   3.102 -17.740  10.428
   57    HB3  GLU   8           HB3      GLU   8   3.971 -16.219  10.289
   58    HG2  GLU   8           HG2      GLU   8   2.317 -15.160  11.850
   59    HG3  GLU   8           HG3      GLU   8   1.498 -16.716  12.010
   60    H    THR   9           H        THR   9  -0.102 -15.245  10.353
   61    HA   THR   9           HA       THR   9  -1.662 -17.625  10.489
   62    HB   THR   9           HB       THR   9  -2.783 -14.819  10.347
   63    HG1  THR   9           HG1      THR   9  -1.155 -14.573  11.705
   64   HG21  THR   9          HG21      THR   9  -4.402 -16.674  10.573
   65   HG22  THR   9          HG22      THR   9  -3.534 -17.270  12.004
   66   HG23  THR   9          HG23      THR   9  -4.356 -15.691  12.044
   67    H    ARG  10           H        ARG  10  -1.512 -14.983   8.014
   68    HA   ARG  10           HA       ARG  10  -3.675 -16.062   6.405
   69    HB2  ARG  10           HB2      ARG  10  -1.305 -14.293   5.612
   70    HB3  ARG  10           HB3      ARG  10  -2.672 -14.661   4.580
   71    HG2  ARG  10           HG2      ARG  10  -2.820 -13.073   7.180
   72    HG3  ARG  10           HG3      ARG  10  -2.762 -12.411   5.546
   73    HD2  ARG  10           HD2      ARG  10  -4.903 -13.728   5.054
   74    HD3  ARG  10           HD3      ARG  10  -5.001 -14.029   6.802
   75    HE   ARG  10           HE       ARG  10  -4.656 -11.217   6.059
   76   HH11  ARG  10          HH11      ARG  10  -7.139 -13.727   6.611
   77   HH12  ARG  10          HH12      ARG  10  -8.385 -12.542   6.936
   78   HH21  ARG  10          HH21      ARG  10  -6.340  -9.739   6.395
   79   HH22  ARG  10          HH22      ARG  10  -7.994 -10.305   6.607
   80    H    GLU  11           H        GLU  11  -0.110 -16.309   6.354
   81    HA   GLU  11           HA       GLU  11   0.085 -17.821   3.996
   82    HB2  GLU  11           HB2      GLU  11   1.902 -16.533   4.958
   83    HB3  GLU  11           HB3      GLU  11   1.929 -17.543   6.408
   84    HG2  GLU  11           HG2      GLU  11   2.734 -19.446   5.182
   85    HG3  GLU  11           HG3      GLU  11   2.487 -18.632   3.629
   86    H    HIS  12           H        HIS  12   0.252 -19.061   7.415
   87    HA   HIS  12           HA       HIS  12   0.502 -21.776   6.592
   88    HB2  HIS  12           HB2      HIS  12  -0.563 -20.613   9.199
   89    HB3  HIS  12           HB3      HIS  12  -0.270 -22.326   8.922
   90    HD1  HIS  12           HD1      HIS  12   2.564 -22.634   7.920
   91    HD2  HIS  12           HD2      HIS  12   1.317 -19.626  10.581
   92    HE1  HIS  12           HE1      HIS  12   4.652 -21.893   9.171
   93    H    ARG  13           H        ARG  13  -2.433 -19.874   7.589
   94    HA   ARG  13           HA       ARG  13  -4.130 -22.173   7.447
   95    HB2  ARG  13           HB2      ARG  13  -4.820 -19.218   7.148
   96    HB3  ARG  13           HB3      ARG  13  -6.008 -20.500   7.323
   97    HG2  ARG  13           HG2      ARG  13  -3.876 -19.813   9.399
   98    HG3  ARG  13           HG3      ARG  13  -5.555 -19.292   9.452
   99    HD2  ARG  13           HD2      ARG  13  -4.552 -22.169   9.596
  100    HD3  ARG  13           HD3      ARG  13  -5.096 -21.198  10.954
  101    HE   ARG  13           HE       ARG  13  -6.748 -22.511   8.894
  102   HH11  ARG  13          HH11      ARG  13  -6.815 -20.128  11.553
  103   HH12  ARG  13          HH12      ARG  13  -8.527 -20.228  11.737
  104   HH21  ARG  13          HH21      ARG  13  -8.840 -22.649   9.122
  105   HH22  ARG  13          HH22      ARG  13  -9.767 -21.727  10.297
  106    H    ILE  14           H        ILE  14  -3.346 -19.736   4.879
  107    HA   ILE  14           HA       ILE  14  -5.203 -20.961   3.100
  108    HB   ILE  14           HB       ILE  14  -4.197 -18.600   3.052
  109   HG12  ILE  14          HG12      ILE  14  -4.561 -20.125   0.450
  110   HG13  ILE  14          HG13      ILE  14  -5.850 -19.535   1.504
  111   HG21  ILE  14          HG21      ILE  14  -2.127 -19.852   1.201
  112   HG22  ILE  14          HG22      ILE  14  -2.328 -18.138   1.602
  113   HG23  ILE  14          HG23      ILE  14  -1.788 -19.257   2.843
  114   HD11  ILE  14          HD11      ILE  14  -4.983 -17.199   1.203
  115   HD12  ILE  14          HD12      ILE  14  -3.893 -17.837  -0.054
  116   HD13  ILE  14          HD13      ILE  14  -5.655 -17.979  -0.242
  117    H    GLU  15           H        GLU  15  -1.709 -21.488   3.697
  118    HA   GLU  15           HA       GLU  15  -1.269 -23.290   1.544
  119    HB2  GLU  15           HB2      GLU  15   0.517 -22.163   2.752
  120    HB3  GLU  15           HB3      GLU  15   0.077 -22.976   4.263
  121    HG2  GLU  15           HG2      GLU  15   0.721 -25.140   3.349
  122    HG3  GLU  15           HG3      GLU  15   1.022 -24.423   1.760
  123    H    THR  16           H        THR  16  -2.481 -23.842   4.878
  124    HA   THR  16           HA       THR  16  -2.314 -26.740   4.459
  125    HB   THR  16           HB       THR  16  -2.908 -26.844   6.874
  126    HG1  THR  16           HG1      THR  16  -2.549 -24.034   6.814
  127   HG21  THR  16          HG21      THR  16  -0.563 -26.844   6.148
  128   HG22  THR  16          HG22      THR  16  -0.520 -25.070   6.189
  129   HG23  THR  16          HG23      THR  16  -0.755 -25.995   7.689
  130    H    GLU  17           H        GLU  17  -4.823 -24.427   3.979
  131    HA   GLU  17           HA       GLU  17  -6.807 -26.675   4.061
  132    HB2  GLU  17           HB2      GLU  17  -7.237 -23.815   5.007
  133    HB3  GLU  17           HB3      GLU  17  -8.464 -25.076   4.912
  134    HG2  GLU  17           HG2      GLU  17  -7.082 -26.462   6.515
  135    HG3  GLU  17           HG3      GLU  17  -6.042 -25.050   6.750
  136    H    ILE  18           H        ILE  18  -5.597 -23.971   2.136
  137    HA   ILE  18           HA       ILE  18  -8.081 -24.110   0.481
  138    HB   ILE  18           HB       ILE  18  -6.221 -21.887   1.259
  139   HG12  ILE  18          HG12      ILE  18  -9.260 -22.117   1.266
  140   HG13  ILE  18          HG13      ILE  18  -8.266 -22.601   2.630
  141   HG21  ILE  18          HG21      ILE  18  -8.154 -21.848  -1.078
  142   HG22  ILE  18          HG22      ILE  18  -7.456 -20.391  -0.331
  143   HG23  ILE  18          HG23      ILE  18  -6.407 -21.549  -1.119
  144   HD11  ILE  18          HD11      ILE  18  -8.410 -19.760   1.565
  145   HD12  ILE  18          HD12      ILE  18  -9.230 -20.402   2.994
  146   HD13  ILE  18          HD13      ILE  18  -7.463 -20.331   2.961
  147    H    ILE  19           H        ILE  19  -4.488 -24.129   0.192
  148    HA   ILE  19           HA       ILE  19  -4.990 -25.455  -2.438
  149    HB   ILE  19           HB       ILE  19  -2.918 -24.548  -3.326
  150   HG12  ILE  19          HG12      ILE  19  -1.958 -23.916  -0.988
  151   HG13  ILE  19          HG13      ILE  19  -1.542 -23.002  -2.426
  152   HG21  ILE  19          HG21      ILE  19  -4.977 -22.426  -2.655
  153   HG22  ILE  19          HG22      ILE  19  -3.789 -22.377  -3.972
  154   HG23  ILE  19          HG23      ILE  19  -5.062 -23.608  -3.964
  155   HD11  ILE  19          HD11      ILE  19  -3.694 -22.090  -0.489
  156   HD12  ILE  19          HD12      ILE  19  -1.990 -21.600  -0.410
  157   HD13  ILE  19          HD13      ILE  19  -2.971 -21.167  -1.819
  158    H    VAL  20           H        VAL  20  -4.511 -26.420   0.431
  159    HA   VAL  20           HA       VAL  20  -2.028 -27.698   0.586
  160    HB   VAL  20           HB       VAL  20  -3.773 -27.355   2.326
  161   HG11  VAL  20          HG11      VAL  20  -5.773 -28.237   1.210
  162   HG12  VAL  20          HG12      VAL  20  -5.106 -29.883   1.339
  163   HG13  VAL  20          HG13      VAL  20  -5.497 -28.960   2.796
  164   HG21  VAL  20          HG21      VAL  20  -1.783 -28.739   2.748
  165   HG22  VAL  20          HG22      VAL  20  -3.186 -29.325   3.657
  166   HG23  VAL  20          HG23      VAL  20  -2.663 -30.181   2.192
  167    H    ASP  21           H        ASP  21  -4.973 -28.675  -1.050
  168    HA   ASP  21           HA       ASP  21  -4.033 -31.348  -1.729
  169    HB2  ASP  21           HB2      ASP  21  -6.384 -30.768  -1.107
  170    HB3  ASP  21           HB3      ASP  21  -6.523 -29.828  -2.593
  171    H    ALA  22           H        ALA  22  -3.043 -28.492  -3.016
  172    HA   ALA  22           HA       ALA  22  -3.233 -29.346  -5.878
  173    HB1  ALA  22           HB1      ALA  22  -3.349 -26.576  -4.605
  174    HB2  ALA  22           HB2      ALA  22  -3.281 -26.895  -6.337
  175    HB3  ALA  22           HB3      ALA  22  -4.692 -27.434  -5.397
  176    H    GLU  23           H        GLU  23  -1.474 -29.001  -7.183
  177    HA   GLU  23           HA       GLU  23   0.828 -27.485  -6.133
  178    HB2  GLU  23           HB2      GLU  23   2.456 -29.148  -6.808
  179    HB3  GLU  23           HB3      GLU  23   1.392 -29.770  -5.551
  180    HG2  GLU  23           HG2      GLU  23   0.117 -31.057  -7.250
  181    HG3  GLU  23           HG3      GLU  23   1.163 -30.422  -8.524
  182    H    ASP  24           H        ASP  24  -1.023 -28.759  -8.884
  183    HA   ASP  24           HA       ASP  24   0.653 -27.278 -10.836
  184    HB2  ASP  24           HB2      ASP  24  -0.325 -29.429 -11.496
  185    HB3  ASP  24           HB3      ASP  24  -1.944 -28.823 -11.149
  186    H    LYS  25           H        LYS  25  -0.089 -25.424 -11.964
  187    HA   LYS  25           HA       LYS  25  -1.374 -23.470 -10.484
  188    HB2  LYS  25           HB2      LYS  25  -1.475 -22.152 -12.526
  189    HB3  LYS  25           HB3      LYS  25   0.072 -22.996 -12.392
  190    HG2  LYS  25           HG2      LYS  25  -0.815 -24.746 -13.989
  191    HG3  LYS  25           HG3      LYS  25  -2.290 -23.777 -14.165
  192    HD2  LYS  25           HD2      LYS  25  -0.957 -21.893 -15.048
  193    HD3  LYS  25           HD3      LYS  25   0.522 -22.878 -14.898
  194    HE2  LYS  25           HE2      LYS  25  -0.487 -24.600 -16.383
  195    HE3  LYS  25           HE3      LYS  25  -1.952 -23.629 -16.526
  196    HZ1  LYS  25           HZ1      LYS  25   0.736 -22.803 -17.476
  197    HZ2  LYS  25           HZ2      LYS  25  -0.489 -23.306 -18.423
  198    HZ3  LYS  25           HZ3      LYS  25  -0.622 -21.901 -17.610
  199    H    GLU  26           H        GLU  26  -2.999 -25.771 -12.743
  200    HA   GLU  26           HA       GLU  26  -5.498 -24.297 -12.699
  201    HB2  GLU  26           HB2      GLU  26  -4.871 -27.212 -13.360
  202    HB3  GLU  26           HB3      GLU  26  -6.452 -26.455 -13.549
  203    HG2  GLU  26           HG2      GLU  26  -5.469 -24.776 -15.105
  204    HG3  GLU  26           HG3      GLU  26  -3.908 -25.587 -14.989
  205    H    GLU  27           H        GLU  27  -4.081 -26.943 -10.740
  206    HA   GLU  27           HA       GLU  27  -6.453 -27.515  -9.214
  207    HB2  GLU  27           HB2      GLU  27  -3.534 -27.828  -8.430
  208    HB3  GLU  27           HB3      GLU  27  -4.910 -28.619  -7.660
  209    HG2  GLU  27           HG2      GLU  27  -5.356 -29.921  -9.667
  210    HG3  GLU  27           HG3      GLU  27  -4.069 -29.093 -10.548
  211    H    ARG  28           H        ARG  28  -3.686 -25.261  -8.809
  212    HA   ARG  28           HA       ARG  28  -4.466 -24.318  -6.208
  213    HB2  ARG  28           HB2      ARG  28  -2.860 -22.973  -8.416
  214    HB3  ARG  28           HB3      ARG  28  -3.012 -22.342  -6.773
  215    HG2  ARG  28           HG2      ARG  28  -1.848 -24.258  -5.832
  216    HG3  ARG  28           HG3      ARG  28  -1.861 -25.100  -7.382
  217    HD2  ARG  28           HD2      ARG  28  -0.525 -23.162  -8.347
  218    HD3  ARG  28           HD3      ARG  28  -0.317 -22.570  -6.699
  219    HE   ARG  28           HE       ARG  28   0.742 -25.081  -7.924
  220   HH11  ARG  28          HH11      ARG  28   0.800 -22.926  -5.086
  221   HH12  ARG  28          HH12      ARG  28   2.263 -23.594  -4.465
  222   HH21  ARG  28          HH21      ARG  28   2.606 -25.927  -7.142
  223   HH22  ARG  28          HH22      ARG  28   3.338 -25.363  -5.668
  224    H    ALA  29           H        ALA  29  -5.364 -23.251  -9.521
  225    HA   ALA  29           HA       ALA  29  -6.864 -20.962  -8.656
  226    HB1  ALA  29           HB1      ALA  29  -7.832 -21.003 -10.882
  227    HB2  ALA  29           HB2      ALA  29  -6.101 -21.357 -11.014
  228    HB3  ALA  29           HB3      ALA  29  -7.295 -22.670 -11.148
  229    H    MET  30           H        MET  30  -7.720 -24.441  -9.206
  230    HA   MET  30           HA       MET  30 -10.470 -24.135  -8.524
  231    HB2  MET  30           HB2      MET  30  -8.656 -26.559  -8.325
  232    HB3  MET  30           HB3      MET  30 -10.400 -26.590  -8.092
  233    HG2  MET  30           HG2      MET  30  -9.042 -25.700 -10.655
  234    HG3  MET  30           HG3      MET  30  -9.655 -27.310 -10.335
  235    HE1  MET  30           HE1      MET  30 -10.231 -23.724 -11.145
  236    HE2  MET  30           HE2      MET  30 -11.880 -23.662 -11.820
  237    HE3  MET  30           HE3      MET  30 -11.636 -23.476 -10.084
  238    H    GLY  31           H        GLY  31  -7.640 -24.863  -6.413
  239    HA2  GLY  31           HA2      GLY  31  -9.050 -25.306  -4.026
  240    HA3  GLY  31           HA3      GLY  31  -7.427 -24.600  -4.152
  241    H    TRP  32           H        TRP  32  -7.695 -22.191  -5.244
  242    HA   TRP  32           HA       TRP  32  -8.859 -20.462  -3.366
  243    HB2  TRP  32           HB2      TRP  32  -7.946 -20.158  -6.227
  244    HB3  TRP  32           HB3      TRP  32  -8.833 -18.860  -5.452
  245    HD1  TRP  32           HD1      TRP  32  -5.453 -20.620  -5.253
  246    HE1  TRP  32           HE1      TRP  32  -3.802 -19.084  -4.077
  247    HE3  TRP  32           HE3      TRP  32  -8.755 -17.109  -3.532
  248    HZ2  TRP  32           HZ2      TRP  32  -3.947 -16.747  -2.328
  249    HZ3  TRP  32           HZ3      TRP  32  -7.981 -15.281  -2.052
  250    HH2  TRP  32           HH2      TRP  32  -5.575 -15.076  -1.462
  251    H    TYR  33           H        TYR  33 -10.218 -21.535  -6.566
  252    HA   TYR  33           HA       TYR  33 -12.589 -20.058  -6.397
  253    HB2  TYR  33           HB2      TYR  33 -11.942 -21.118  -8.461
  254    HB3  TYR  33           HB3      TYR  33 -11.990 -22.716  -7.730
  255    HD1  TYR  33           HD1      TYR  33 -14.076 -19.920  -8.979
  256    HD2  TYR  33           HD2      TYR  33 -14.080 -23.903  -7.332
  257    HE1  TYR  33           HE1      TYR  33 -16.433 -20.176  -9.634
  258    HE2  TYR  33           HE2      TYR  33 -16.496 -24.108  -7.824
  259    HH   TYR  33           HH       TYR  33 -18.342 -21.534  -9.535
  260    H    TYR  34           H        TYR  34 -11.971 -23.411  -5.142
  261    HA   TYR  34           HA       TYR  34 -14.671 -23.944  -4.545
  262    HB2  TYR  34           HB2      TYR  34 -12.146 -25.024  -3.227
  263    HB3  TYR  34           HB3      TYR  34 -13.756 -25.666  -2.957
  264    HD1  TYR  34           HD2      TYR  34 -14.894 -25.761  -5.749
  265    HD2  TYR  34           HD1      TYR  34 -11.013 -26.843  -4.193
  266    HE1  TYR  34           HE2      TYR  34 -14.610 -27.366  -7.594
  267    HE2  TYR  34           HE1      TYR  34 -10.736 -28.483  -6.023
  268    HH   TYR  34           HH       TYR  34 -13.227 -28.971  -8.572
  269    H    TYR  35           H        TYR  35 -12.056 -22.693  -2.319
  270    HA   TYR  35           HA       TYR  35 -14.015 -22.502  -0.197
  271    HB2  TYR  35           HB2      TYR  35 -12.368 -21.964   1.186
  272    HB3  TYR  35           HB3      TYR  35 -11.340 -22.583  -0.089
  273    HD1  TYR  35           HD1      TYR  35 -10.194 -20.947  -1.630
  274    HD2  TYR  35           HD2      TYR  35 -12.387 -19.637   1.834
  275    HE1  TYR  35           HE1      TYR  35  -9.074 -18.749  -1.772
  276    HE2  TYR  35           HE2      TYR  35 -11.292 -17.425   1.708
  277    HH   TYR  35           HH       TYR  35  -9.745 -16.101   0.588
  278    H    LEU  36           H        LEU  36 -12.767 -20.183  -2.650
  279    HA   LEU  36           HA       LEU  36 -13.865 -17.870  -1.482
  280    HB2  LEU  36           HB2      LEU  36 -12.167 -17.817  -3.230
  281    HB3  LEU  36           HB3      LEU  36 -13.281 -18.564  -4.383
  282    HG   LEU  36           HG       LEU  36 -14.714 -16.561  -4.346
  283   HD11  LEU  36          HD11      LEU  36 -14.283 -15.690  -2.074
  284   HD12  LEU  36          HD12      LEU  36 -12.582 -15.381  -2.500
  285   HD13  LEU  36          HD13      LEU  36 -13.885 -14.465  -3.283
  286   HD21  LEU  36          HD21      LEU  36 -11.778 -15.891  -4.843
  287   HD22  LEU  36          HD22      LEU  36 -12.811 -16.826  -5.942
  288   HD23  LEU  36          HD23      LEU  36 -13.204 -15.142  -5.601
  289    H    ASP  37           H        ASP  37 -15.254 -20.007  -4.065
  290    HA   ASP  37           HA       ASP  37 -17.691 -18.578  -4.372
  291    HB2  ASP  37           HB2      ASP  37 -16.885 -20.268  -5.973
  292    HB3  ASP  37           HB3      ASP  37 -17.076 -21.536  -4.759
  293    H    ASP  38           H        ASP  38 -16.777 -21.230  -2.142
  294    HA   ASP  38           HA       ASP  38 -19.363 -21.502  -0.925
  295    HB2  ASP  38           HB2      ASP  38 -17.629 -23.230  -0.800
  296    HB3  ASP  38           HB3      ASP  38 -16.587 -22.151   0.131
  297    H    THR  39           H        THR  39 -16.822 -19.101  -0.461
  298    HA   THR  39           HA       THR  39 -17.804 -18.362   2.227
  299    HB   THR  39           HB       THR  39 -15.436 -17.397   0.570
  300    HG1  THR  39           HG1      THR  39 -15.112 -19.424   1.219
  301   HG21  THR  39          HG21      THR  39 -15.947 -15.606   2.057
  302   HG22  THR  39          HG22      THR  39 -16.333 -16.700   3.391
  303   HG23  THR  39          HG23      THR  39 -14.650 -16.516   2.843
  304    H    LEU  40           H        LEU  40 -17.676 -17.039  -1.112
  305    HA   LEU  40           HA       LEU  40 -18.507 -14.396  -0.515
  306    HB2  LEU  40           HB2      LEU  40 -18.989 -16.133  -2.958
  307    HB3  LEU  40           HB3      LEU  40 -19.441 -14.432  -2.871
  308    HG   LEU  40           HG       LEU  40 -16.614 -15.503  -2.683
  309   HD11  LEU  40          HD11      LEU  40 -16.339 -14.561  -4.940
  310   HD12  LEU  40          HD12      LEU  40 -17.616 -15.782  -4.918
  311   HD13  LEU  40          HD13      LEU  40 -18.043 -14.058  -4.950
  312   HD21  LEU  40          HD21      LEU  40 -15.964 -13.107  -3.106
  313   HD22  LEU  40          HD22      LEU  40 -17.622 -12.670  -2.648
  314   HD23  LEU  40          HD23      LEU  40 -16.533 -13.509  -1.493
  315    H    GLU  41           H        GLU  41 -20.384 -13.880   0.617
  316    HA   GLU  41           HA       GLU  41 -22.767 -15.582   0.419
  317    HB2  GLU  41           HB2      GLU  41 -22.271 -12.973   1.916
  318    HB3  GLU  41           HB3      GLU  41 -23.775 -13.912   1.939
  319    HG2  GLU  41           HG2      GLU  41 -22.286 -15.921   2.664
  320    HG3  GLU  41           HG3      GLU  41 -21.074 -14.703   3.060
  321    H    PHE  42           H        PHE  42 -22.237 -15.060  -2.042
  322    HA   PHE  42           HA       PHE  42 -23.107 -12.593  -3.138
  323    HB2  PHE  42           HB2      PHE  42 -22.953 -13.710  -5.287
  324    HB3  PHE  42           HB3      PHE  42 -21.586 -14.130  -4.291
  325    HD1  PHE  42           HD2      PHE  42 -24.861 -15.385  -5.611
  326    HD2  PHE  42           HD1      PHE  42 -21.076 -16.453  -3.828
  327    HE1  PHE  42           HE2      PHE  42 -25.316 -17.777  -6.059
  328    HE2  PHE  42           HE1      PHE  42 -21.540 -18.835  -4.277
  329    HZ   PHE  42           HZ       PHE  42 -23.660 -19.512  -5.390
  330    HA   PRO  43           HA       PRO  43 -24.221 -11.964  -5.264
  331    HB2  PRO  43           HB2      PRO  43 -26.210 -10.175  -5.743
  332    HB3  PRO  43           HB3      PRO  43 -26.131 -11.773  -6.545
  333    HG2  PRO  43           HG2      PRO  43 -27.761 -11.001  -4.106
  334    HG3  PRO  43           HG3      PRO  43 -28.306 -11.880  -5.571
  335    HD2  PRO  43           HD2      PRO  43 -27.575 -13.178  -3.275
  336    HD3  PRO  43           HD3      PRO  43 -27.235 -13.867  -4.889
  337    H    PHE  44           H        PHE  44 -23.439  -9.806  -4.976
  338    HA   PHE  44           HA       PHE  44 -24.111  -8.315  -2.537
  339    HB2  PHE  44           HB2      PHE  44 -21.897  -8.233  -1.672
  340    HB3  PHE  44           HB3      PHE  44 -22.392  -9.906  -1.757
  341    HD1  PHE  44           HD1      PHE  44 -21.429 -11.392  -3.641
  342    HD2  PHE  44           HD2      PHE  44 -19.866  -7.498  -2.670
  343    HE1  PHE  44           HE1      PHE  44 -19.291 -11.979  -4.741
  344    HE2  PHE  44           HE2      PHE  44 -17.757  -8.059  -3.835
  345    HZ   PHE  44           HZ       PHE  44 -17.452 -10.308  -4.854
  346    H    MET  45           H        MET  45 -22.106  -6.353  -2.724
  347    HA   MET  45           HA       MET  45 -22.188  -5.526  -5.571
  348    HB2  MET  45           HB2      MET  45 -23.036  -3.424  -5.179
  349    HB3  MET  45           HB3      MET  45 -24.108  -4.482  -4.291
  350    HG2  MET  45           HG2      MET  45 -23.433  -3.678  -2.228
  351    HG3  MET  45           HG3      MET  45 -21.814  -3.262  -2.763
  352    HE1  MET  45           HE1      MET  45 -21.064  -1.203  -4.059
  353    HE2  MET  45           HE2      MET  45 -22.232  -1.347  -5.382
  354    HE3  MET  45           HE3      MET  45 -22.104   0.169  -4.470
  355    H    GLY  46           H        GLY  46 -20.810  -3.692  -6.066
  356    HA2  GLY  46           HA2      GLY  46 -18.566  -3.115  -4.267
  357    HA3  GLY  46           HA3      GLY  46 -18.169  -4.214  -5.603
  358    H    LYS  47           H        LYS  47 -16.750  -2.219  -5.724
  359    HA   LYS  47           HA       LYS  47 -17.884  -0.522  -7.899
  360    HB2  LYS  47           HB2      LYS  47 -17.033   0.660  -5.739
  361    HB3  LYS  47           HB3      LYS  47 -15.430   0.121  -6.211
  362    HG2  LYS  47           HG2      LYS  47 -15.531   2.279  -7.117
  363    HG3  LYS  47           HG3      LYS  47 -15.953   1.269  -8.504
  364    HD2  LYS  47           HD2      LYS  47 -17.528   3.021  -8.550
  365    HD3  LYS  47           HD3      LYS  47 -18.405   1.650  -7.864
  366    HE2  LYS  47           HE2      LYS  47 -18.186   2.544  -5.615
  367    HE3  LYS  47           HE3      LYS  47 -17.113   3.832  -6.181
  368    HZ1  LYS  47           HZ1      LYS  47 -19.448   4.541  -5.860
  369    HZ2  LYS  47           HZ2      LYS  47 -18.928   4.804  -7.380
  370    HZ3  LYS  47           HZ3      LYS  47 -19.933   3.557  -7.080
  371    H    TRP  48           H        TRP  48 -17.142  -1.204  -9.841
  372    HA   TRP  48           HA       TRP  48 -14.746  -2.939 -10.021
  373    HB2  TRP  48           HB2      TRP  48 -16.744  -3.345 -11.477
  374    HB3  TRP  48           HB3      TRP  48 -16.491  -1.779 -12.228
  375    HD1  TRP  48           HD1      TRP  48 -13.091  -2.855 -12.021
  376    HE1  TRP  48           HE1      TRP  48 -12.252  -4.064 -14.026
  377    HE3  TRP  48           HE3      TRP  48 -17.614  -4.074 -14.113
  378    HZ2  TRP  48           HZ2      TRP  48 -13.367  -5.542 -16.267
  379    HZ3  TRP  48           HZ3      TRP  48 -17.659  -5.447 -16.178
  380    HH2  TRP  48           HH2      TRP  48 -15.546  -6.182 -17.257
  381    H    LYS  49           H        LYS  49 -12.906  -1.869  -9.708
  382    HA   LYS  49           HA       LYS  49 -12.598   1.003 -10.190
  383    HB2  LYS  49           HB2      LYS  49 -10.524  -1.078  -9.358
  384    HB3  LYS  49           HB3      LYS  49 -10.441   0.660  -9.097
  385    HG2  LYS  49           HG2      LYS  49 -12.408  -1.265  -7.760
  386    HG3  LYS  49           HG3      LYS  49 -10.903  -0.739  -7.060
  387    HD2  LYS  49           HD2      LYS  49 -13.069   1.269  -7.819
  388    HD3  LYS  49           HD3      LYS  49 -13.059   0.384  -6.290
  389    HE2  LYS  49           HE2      LYS  49 -10.621   1.186  -6.009
  390    HE3  LYS  49           HE3      LYS  49 -10.981   2.361  -7.286
  391    HZ1  LYS  49           HZ1      LYS  49 -11.344   3.196  -5.010
  392    HZ2  LYS  49           HZ2      LYS  49 -12.708   3.274  -5.905
  393    HZ3  LYS  49           HZ3      LYS  49 -12.513   2.071  -4.757
  394    H    LYS  50           H        LYS  50 -13.258   0.221 -12.625
  395    HA   LYS  50           HA       LYS  50 -11.511  -1.497 -14.047
  396    HB2  LYS  50           HB2      LYS  50 -13.822  -1.030 -14.721
  397    HB3  LYS  50           HB3      LYS  50 -13.403   0.644 -15.107
  398    HG2  LYS  50           HG2      LYS  50 -11.899  -0.060 -16.886
  399    HG3  LYS  50           HG3      LYS  50 -12.090  -1.762 -16.448
  400    HD2  LYS  50           HD2      LYS  50 -14.344   0.029 -17.465
  401    HD3  LYS  50           HD3      LYS  50 -13.366  -1.049 -18.475
  402    HE2  LYS  50           HE2      LYS  50 -14.087  -2.985 -17.031
  403    HE3  LYS  50           HE3      LYS  50 -15.183  -1.900 -16.172
  404    HZ1  LYS  50           HZ1      LYS  50 -16.329  -3.092 -17.916
  405    HZ2  LYS  50           HZ2      LYS  50 -16.312  -1.507 -18.315
  406    HZ3  LYS  50           HZ3      LYS  50 -15.306  -2.553 -19.064
  407    H    LYS  51           H        LYS  51  -9.511  -1.187 -14.865
  408    HA   LYS  51           HA       LYS  51  -8.257   1.416 -14.615
  409    HB2  LYS  51           HB2      LYS  51  -7.223  -0.888 -14.130
  410    HB3  LYS  51           HB3      LYS  51  -7.021  -1.056 -15.878
  411    HG2  LYS  51           HG2      LYS  51  -5.740   1.150 -15.832
  412    HG3  LYS  51           HG3      LYS  51  -5.894   1.133 -14.061
  413    HD2  LYS  51           HD2      LYS  51  -4.762  -1.151 -14.093
  414    HD3  LYS  51           HD3      LYS  51  -4.437  -0.910 -15.812
  415    HE2  LYS  51           HE2      LYS  51  -3.481   0.862 -13.514
  416    HE3  LYS  51           HE3      LYS  51  -2.503  -0.346 -14.348
  417    HZ1  LYS  51           HZ1      LYS  51  -3.641   2.079 -15.630
  418    HZ2  LYS  51           HZ2      LYS  51  -2.074   1.869 -15.185
  419    HZ3  LYS  51           HZ3      LYS  51  -2.719   0.977 -16.390
  420    H    SER  52           H        SER  52 -10.064   2.179 -16.077
  421    HA   SER  52           HA       SER  52 -10.996   2.754 -18.092
  422    HB2  SER  52           HB2      SER  52  -9.575   4.584 -19.005
  423    HB3  SER  52           HB3      SER  52  -9.777   4.611 -17.251
  424    HG   SER  52           HG       SER  52  -7.735   3.947 -16.944
  425    H    ARG  53           H        ARG  53  -7.860   2.866 -19.606
  426    HA   ARG  53           HA       ARG  53  -8.420   0.538 -21.345
  427    HB2  ARG  53           HB2      ARG  53  -7.784   1.825 -23.374
  428    HB3  ARG  53           HB3      ARG  53  -9.349   2.244 -22.717
  429    HG2  ARG  53           HG2      ARG  53  -6.930   3.906 -21.973
  430    HG3  ARG  53           HG3      ARG  53  -7.666   4.109 -23.552
  431    HD2  ARG  53           HD2      ARG  53  -9.523   5.131 -22.784
  432    HD3  ARG  53           HD3      ARG  53  -9.632   4.148 -21.325
  433    HE   ARG  53           HE       ARG  53  -7.502   5.570 -20.666
  434   HH11  ARG  53          HH11      ARG  53 -10.458   6.783 -22.215
  435   HH12  ARG  53          HH12      ARG  53 -10.446   8.294 -21.385
  436   HH21  ARG  53          HH21      ARG  53  -7.575   7.540 -19.425
  437   HH22  ARG  53          HH22      ARG  53  -8.716   8.754 -19.845
  438    H    LYS  54           H        LYS  54  -6.854   0.498 -19.218
  439    HA   LYS  54           HA       LYS  54  -4.914  -0.192 -18.456
  440    HB2  LYS  54           HB2      LYS  54  -4.721  -1.328 -20.725
  441    HB3  LYS  54           HB3      LYS  54  -3.624  -0.022 -21.196
  442    HG2  LYS  54           HG2      LYS  54  -2.068  -0.647 -19.399
  443    HG3  LYS  54           HG3      LYS  54  -3.211  -1.869 -18.802
  444    HD2  LYS  54           HD2      LYS  54  -3.037  -3.076 -20.962
  445    HD3  LYS  54           HD3      LYS  54  -1.883  -1.879 -21.558
  446    HE2  LYS  54           HE2      LYS  54  -1.475  -3.646 -19.097
  447    HE3  LYS  54           HE3      LYS  54  -0.863  -4.021 -20.709
  448    HZ1  LYS  54           HZ1      LYS  54  -0.068  -1.658 -19.109
  449    HZ2  LYS  54           HZ2      LYS  54   0.835  -2.987 -19.372
  450    HZ3  LYS  54           HZ3      LYS  54   0.475  -2.002 -20.616
  451    H    THR  55           H        THR  55  -5.269   2.868 -19.902
  452    HA   THR  55           HA       THR  55  -2.881   4.183 -19.181
  453    HB   THR  55           HB       THR  55  -4.687   6.132 -18.986
  454    HG1  THR  55           HG1      THR  55  -6.513   4.665 -18.859
  455   HG21  THR  55          HG21      THR  55  -3.182   5.819 -20.925
  456   HG22  THR  55          HG22      THR  55  -4.275   4.578 -21.581
  457   HG23  THR  55          HG23      THR  55  -4.818   6.265 -21.440
  458    H    SER  56           H        SER  56  -2.891   5.949 -17.372
  459    HA   SER  56           HA       SER  56  -2.993   4.691 -14.818
  460    HB2  SER  56           HB2      SER  56  -2.619   7.189 -14.148
  461    HB3  SER  56           HB3      SER  56  -1.379   6.334 -15.076
  462    HG   SER  56           HG       SER  56  -1.835   8.410 -15.935
  463    H    THR  57           H        THR  57  -5.440   6.430 -16.684
  464    HA   THR  57           HA       THR  57  -7.037   7.379 -14.574
  465    HB   THR  57           HB       THR  57  -8.235   6.398 -17.155
  466    HG1  THR  57           HG1      THR  57  -6.469   8.605 -17.038
  467   HG21  THR  57          HG21      THR  57  -9.654   7.671 -15.623
  468   HG22  THR  57          HG22      THR  57  -8.492   9.014 -15.628
  469   HG23  THR  57          HG23      THR  57  -9.370   8.580 -17.114
  470    H    ILE  58           H        ILE  58  -8.895   6.522 -13.574
  471    HA   ILE  58           HA       ILE  58  -9.552   3.668 -14.057
  472    HB   ILE  58           HB       ILE  58  -9.170   5.094 -11.410
  473   HG12  ILE  58          HG12      ILE  58  -7.891   2.708 -12.809
  474   HG13  ILE  58          HG13      ILE  58  -7.130   4.226 -12.341
  475   HG21  ILE  58          HG21      ILE  58 -10.407   2.356 -11.880
  476   HG22  ILE  58          HG22      ILE  58 -10.041   3.073 -10.293
  477   HG23  ILE  58          HG23      ILE  58 -11.284   3.786 -11.302
  478   HD11  ILE  58          HD11      ILE  58  -8.019   1.985 -10.500
  479   HD12  ILE  58          HD12      ILE  58  -6.370   2.484 -10.893
  480   HD13  ILE  58          HD13      ILE  58  -7.412   3.569  -9.937
  481    H    GLU  59           H        GLU  59 -11.652   3.210 -14.135
  482    HA   GLU  59           HA       GLU  59 -13.635   5.438 -14.047
  483    HB2  GLU  59           HB2      GLU  59 -13.516   2.924 -15.782
  484    HB3  GLU  59           HB3      GLU  59 -14.914   3.988 -15.664
  485    HG2  GLU  59           HG2      GLU  59 -12.150   4.732 -16.718
  486    HG3  GLU  59           HG3      GLU  59 -13.583   4.424 -17.688
  487    H    GLU  60           H        GLU  60 -14.371   5.217 -12.004
  488    HA   GLU  60           HA       GLU  60 -14.594   2.599 -10.698
  489    HB2  GLU  60           HB2      GLU  60 -15.290   5.437  -9.801
  490    HB3  GLU  60           HB3      GLU  60 -15.401   3.989  -8.798
  491    HG2  GLU  60           HG2      GLU  60 -12.932   3.600  -9.200
  492    HG3  GLU  60           HG3      GLU  60 -12.867   5.167 -10.017
  493    H    LYS  61           H        LYS  61 -16.266   1.361 -11.480
  494    HA   LYS  61           HA       LYS  61 -18.898   2.685 -12.074
  495    HB2  LYS  61           HB2      LYS  61 -17.765  -0.010 -12.937
  496    HB3  LYS  61           HB3      LYS  61 -19.392   0.578 -13.288
  497    HG2  LYS  61           HG2      LYS  61 -18.430   2.478 -14.580
  498    HG3  LYS  61           HG3      LYS  61 -16.801   1.910 -14.205
  499    HD2  LYS  61           HD2      LYS  61 -17.353   1.172 -16.438
  500    HD3  LYS  61           HD3      LYS  61 -17.245  -0.223 -15.362
  501    HE2  LYS  61           HE2      LYS  61 -19.125  -0.531 -16.854
  502    HE3  LYS  61           HE3      LYS  61 -19.709  -0.330 -15.204
  503    HZ1  LYS  61           HZ1      LYS  61 -19.778   1.739 -17.324
  504    HZ2  LYS  61           HZ2      LYS  61 -21.054   0.912 -16.681
  505    HZ3  LYS  61           HZ3      LYS  61 -20.245   1.980 -15.761
  506    H    THR  62           H        THR  62 -20.489   2.366 -10.529
  507    HA   THR  62           HA       THR  62 -20.125   0.466  -8.384
  508    HB   THR  62           HB       THR  62 -22.696   1.853  -9.247
  509    HG1  THR  62           HG1      THR  62 -21.978   3.651  -8.336
  510   HG21  THR  62          HG21      THR  62 -22.868   0.190  -7.387
  511   HG22  THR  62          HG22      THR  62 -21.591   1.065  -6.512
  512   HG23  THR  62          HG23      THR  62 -23.161   1.843  -6.820
  513    H    VAL  63           H        VAL  63 -20.742  -1.643  -8.320
  514    HA   VAL  63           HA       VAL  63 -22.432  -2.715 -10.538
  515    HB   VAL  63           HB       VAL  63 -20.844  -4.536 -10.779
  516   HG11  VAL  63          HG11      VAL  63 -20.833  -2.674 -12.402
  517   HG12  VAL  63          HG12      VAL  63 -19.544  -1.883 -11.484
  518   HG13  VAL  63          HG13      VAL  63 -19.256  -3.451 -12.256
  519   HG21  VAL  63          HG21      VAL  63 -18.506  -4.383 -10.072
  520   HG22  VAL  63          HG22      VAL  63 -18.839  -2.854  -9.230
  521   HG23  VAL  63          HG23      VAL  63 -19.568  -4.372  -8.662
  522    H    GLU  64           H        GLU  64 -23.352  -4.746 -10.182
  523    HA   GLU  64           HA       GLU  64 -23.534  -5.636  -7.331
  524    HB2  GLU  64           HB2      GLU  64 -25.700  -5.065  -8.390
  525    HB3  GLU  64           HB3      GLU  64 -25.367  -6.198  -9.705
  526    HG2  GLU  64           HG2      GLU  64 -25.342  -8.073  -8.075
  527    HG3  GLU  64           HG3      GLU  64 -25.599  -6.930  -6.755
  528    H    VAL  65           H        VAL  65 -22.586  -7.609  -6.933
  529    HA   VAL  65           HA       VAL  65 -21.260  -8.995  -9.218
  530    HB   VAL  65           HB       VAL  65 -20.542  -9.129  -6.265
  531   HG11  VAL  65          HG11      VAL  65 -18.397 -10.026  -7.206
  532   HG12  VAL  65          HG12      VAL  65 -19.778 -11.041  -7.642
  533   HG13  VAL  65          HG13      VAL  65 -19.090  -9.918  -8.836
  534   HG21  VAL  65          HG21      VAL  65 -18.608  -7.653  -6.861
  535   HG22  VAL  65          HG22      VAL  65 -19.345  -7.367  -8.454
  536   HG23  VAL  65          HG23      VAL  65 -20.153  -6.813  -6.971
  537    H    LEU  66           H        LEU  66 -22.331 -10.728  -9.861
  538    HA   LEU  66           HA       LEU  66 -24.666 -11.614  -8.373
  539    HB2  LEU  66           HB2      LEU  66 -23.447 -12.291 -11.069
  540    HB3  LEU  66           HB3      LEU  66 -24.775 -13.230 -10.404
  541    HG   LEU  66           HG       LEU  66 -26.205 -11.228 -10.292
  542   HD11  LEU  66          HD11      LEU  66 -23.908  -9.809 -11.717
  543   HD12  LEU  66          HD12      LEU  66 -25.569  -9.192 -11.567
  544   HD13  LEU  66          HD13      LEU  66 -24.591  -9.393 -10.126
  545   HD21  LEU  66          HD21      LEU  66 -24.955 -11.804 -13.013
  546   HD22  LEU  66          HD22      LEU  66 -26.267 -12.718 -12.244
  547   HD23  LEU  66          HD23      LEU  66 -26.542 -11.046 -12.751
  548    H    GLY  67           H        GLY  67 -21.394 -12.913  -8.955
  549    HA2  GLY  67           HA2      GLY  67 -21.151 -14.779  -7.013
  550    HA3  GLY  67           HA3      GLY  67 -22.075 -15.633  -8.271
  551    H    MET  68           H        MET  68 -19.790 -16.763  -8.035
  552    HA   MET  68           HA       MET  68 -17.572 -15.609  -9.496
  553    HB2  MET  68           HB2      MET  68 -18.244 -18.511  -8.872
  554    HB3  MET  68           HB3      MET  68 -16.752 -17.957  -9.631
  555    HG2  MET  68           HG2      MET  68 -17.700 -17.212  -6.847
  556    HG3  MET  68           HG3      MET  68 -16.450 -18.386  -7.233
  557    HE1  MET  68           HE1      MET  68 -14.634 -17.078  -9.444
  558    HE2  MET  68           HE2      MET  68 -13.458 -16.192  -8.456
  559    HE3  MET  68           HE3      MET  68 -13.981 -17.815  -7.960
  560    H    ALA  69           H        ALA  69 -16.820 -16.187 -11.537
  561    HA   ALA  69           HA       ALA  69 -18.736 -16.379 -13.693
  562    HB1  ALA  69           HB1      ALA  69 -16.589 -15.124 -13.743
  563    HB2  ALA  69           HB2      ALA  69 -15.705 -16.670 -13.601
  564    HB3  ALA  69           HB3      ALA  69 -16.655 -16.299 -15.046
  565    HA   PRO  70           HA       PRO  70 -18.796 -20.789 -14.652
  566    HB2  PRO  70           HB2      PRO  70 -17.101 -20.136 -17.072
  567    HB3  PRO  70           HB3      PRO  70 -18.499 -21.254 -16.946
  568    HG2  PRO  70           HG2      PRO  70 -18.880 -18.780 -17.944
  569    HG3  PRO  70           HG3      PRO  70 -20.034 -19.412 -16.721
  570    HD2  PRO  70           HD2      PRO  70 -17.710 -17.535 -16.337
  571    HD3  PRO  70           HD3      PRO  70 -19.363 -17.411 -15.659
  572    H    ASP  71           H        ASP  71 -17.609 -22.655 -14.485
  573    HA   ASP  71           HA       ASP  71 -15.267 -22.713 -12.961
  574    HB2  ASP  71           HB2      ASP  71 -16.905 -24.558 -13.222
  575    HB3  ASP  71           HB3      ASP  71 -16.382 -24.786 -14.894
  576    H    ASP  72           H        ASP  72 -15.696 -22.698 -16.477
  577    HA   ASP  72           HA       ASP  72 -13.029 -23.433 -17.220
  578    HB2  ASP  72           HB2      ASP  72 -14.940 -23.542 -18.765
  579    HB3  ASP  72           HB3      ASP  72 -15.092 -21.782 -18.723
  580    H    GLU  73           H        GLU  73 -14.470 -20.326 -16.278
  581    HA   GLU  73           HA       GLU  73 -12.142 -18.762 -17.169
  582    HB2  GLU  73           HB2      GLU  73 -14.581 -18.036 -15.502
  583    HB3  GLU  73           HB3      GLU  73 -13.329 -16.905 -15.993
  584    HG2  GLU  73           HG2      GLU  73 -15.075 -18.466 -17.945
  585    HG3  GLU  73           HG3      GLU  73 -15.396 -16.834 -17.388
  586    H    CYS  74           H        CYS  74 -13.587 -20.011 -14.168
  587    HA   CYS  74           HA       CYS  74 -11.634 -18.857 -12.452
  588    HB2  CYS  74           HB2      CYS  74 -13.568 -21.148 -11.948
  589    HB3  CYS  74           HB3      CYS  74 -12.678 -20.223 -10.723
  590    HG   CYS  74           HG       CYS  74 -15.021 -19.297 -12.866
  591    H    LEU  75           H        LEU  75 -11.128 -21.285 -14.584
  592    HA   LEU  75           HA       LEU  75  -9.348 -22.965 -12.982
  593    HB2  LEU  75           HB2      LEU  75 -10.429 -22.947 -15.775
  594    HB3  LEU  75           HB3      LEU  75  -8.833 -23.650 -15.594
  595    HG   LEU  75           HG       LEU  75 -11.140 -24.499 -13.808
  596   HD11  LEU  75          HD11      LEU  75 -11.850 -24.918 -16.085
  597   HD12  LEU  75          HD12      LEU  75 -10.297 -25.700 -16.476
  598   HD13  LEU  75          HD13      LEU  75 -11.425 -26.444 -15.313
  599   HD21  LEU  75          HD21      LEU  75  -8.542 -25.890 -14.600
  600   HD22  LEU  75          HD22      LEU  75  -8.832 -25.092 -13.043
  601   HD23  LEU  75          HD23      LEU  75  -9.774 -26.518 -13.485
  602    H    LYS  76           H        LYS  76  -9.011 -19.886 -14.498
  603    HA   LYS  76           HA       LYS  76  -6.058 -20.223 -14.267
  604    HB2  LYS  76           HB2      LYS  76  -5.677 -18.911 -16.249
  605    HB3  LYS  76           HB3      LYS  76  -6.490 -20.418 -16.621
  606    HG2  LYS  76           HG2      LYS  76  -8.202 -17.948 -16.285
  607    HG3  LYS  76           HG3      LYS  76  -7.153 -18.041 -17.695
  608    HD2  LYS  76           HD2      LYS  76  -8.165 -20.167 -18.389
  609    HD3  LYS  76           HD3      LYS  76  -9.231 -20.145 -16.965
  610    HE2  LYS  76           HE2      LYS  76 -10.231 -18.033 -17.706
  611    HE3  LYS  76           HE3      LYS  76  -9.137 -17.948 -19.091
  612    HZ1  LYS  76           HZ1      LYS  76 -11.034 -20.184 -18.711
  613    HZ2  LYS  76           HZ2      LYS  76 -11.445 -18.814 -19.504
  614    HZ3  LYS  76           HZ3      LYS  76 -10.232 -19.775 -20.089
  615    H    ASP  77           H        ASP  77  -8.824 -18.102 -13.769
  616    HA   ASP  77           HA       ASP  77  -7.170 -16.448 -12.024
  617    HB2  ASP  77           HB2      ASP  77  -6.758 -15.364 -14.204
  618    HB3  ASP  77           HB3      ASP  77  -8.487 -15.275 -14.496
  619    H    MET  78           H        MET  78  -8.618 -14.977 -10.726
  620    HA   MET  78           HA       MET  78 -11.174 -16.390 -10.215
  621    HB2  MET  78           HB2      MET  78  -9.762 -14.140  -8.732
  622    HB3  MET  78           HB3      MET  78 -11.316 -14.828  -8.263
  623    HG2  MET  78           HG2      MET  78  -8.675 -16.338  -8.394
  624    HG3  MET  78           HG3      MET  78  -9.486 -15.759  -6.949
  625    HE1  MET  78           HE1      MET  78 -10.179 -19.717  -9.090
  626    HE2  MET  78           HE2      MET  78  -9.859 -18.263 -10.046
  627    HE3  MET  78           HE3      MET  78  -8.673 -18.814  -8.840
  628    H    TYR  79           H        TYR  79 -12.889 -15.825 -11.412
  629    HA   TYR  79           HA       TYR  79 -13.248 -12.980 -12.238
  630    HB2  TYR  79           HB2      TYR  79 -13.717 -15.609 -13.685
  631    HB3  TYR  79           HB3      TYR  79 -14.528 -14.129 -14.155
  632    HD1  TYR  79           HD1      TYR  79 -13.179 -12.119 -14.887
  633    HD2  TYR  79           HD2      TYR  79 -11.546 -16.099 -14.583
  634    HE1  TYR  79           HE1      TYR  79 -11.443 -11.520 -16.542
  635    HE2  TYR  79           HE2      TYR  79  -9.868 -15.544 -16.305
  636    HH   TYR  79           HH       TYR  79  -8.997 -13.889 -17.706
  637    H    VAL  80           H        VAL  80 -15.397 -12.214 -12.202
  638    HA   VAL  80           HA       VAL  80 -17.461 -13.939 -10.915
  639    HB   VAL  80           HB       VAL  80 -18.120 -11.860  -9.664
  640   HG11  VAL  80          HG11      VAL  80 -16.990 -13.699  -8.534
  641   HG12  VAL  80          HG12      VAL  80 -15.400 -13.031  -8.957
  642   HG13  VAL  80          HG13      VAL  80 -16.488 -12.152  -7.859
  643   HG21  VAL  80          HG21      VAL  80 -16.484 -10.105  -9.226
  644   HG22  VAL  80          HG22      VAL  80 -15.310 -10.853 -10.320
  645   HG23  VAL  80          HG23      VAL  80 -16.820 -10.166 -10.959
  646    H    GLU  81           H        GLU  81 -19.595 -13.478 -11.472
  647    HA   GLU  81           HA       GLU  81 -20.020 -12.056 -14.046
  648    HB2  GLU  81           HB2      GLU  81 -21.883 -13.577 -12.163
  649    HB3  GLU  81           HB3      GLU  81 -22.414 -12.712 -13.618
  650    HG2  GLU  81           HG2      GLU  81 -20.821 -14.144 -14.962
  651    HG3  GLU  81           HG3      GLU  81 -20.513 -15.085 -13.501
  652    H    VAL  82           H        VAL  82 -21.002 -10.027 -14.151
  653    HA   VAL  82           HA       VAL  82 -21.597  -8.666 -11.600
  654    HB   VAL  82           HB       VAL  82 -19.165  -8.576 -12.011
  655   HG11  VAL  82          HG11      VAL  82 -19.035  -8.775 -14.440
  656   HG12  VAL  82          HG12      VAL  82 -19.826  -7.195 -14.649
  657   HG13  VAL  82          HG13      VAL  82 -18.233  -7.297 -13.910
  658   HG21  VAL  82          HG21      VAL  82 -20.457  -5.893 -12.500
  659   HG22  VAL  82          HG22      VAL  82 -20.236  -6.695 -10.917
  660   HG23  VAL  82          HG23      VAL  82 -18.826  -6.191 -11.863
  661    H    ALA  83           H        ALA  83 -23.059  -6.988 -11.831
  662    HA   ALA  83           HA       ALA  83 -24.046  -6.371 -14.591
  663    HB1  ALA  83           HB1      ALA  83 -25.639  -6.483 -12.002
  664    HB2  ALA  83           HB2      ALA  83 -26.257  -6.013 -13.601
  665    HB3  ALA  83           HB3      ALA  83 -25.698  -7.672 -13.324
  666    H    ASP  84           H        ASP  84 -24.272  -4.252 -15.113
  667    HA   ASP  84           HA       ASP  84 -22.666  -2.417 -13.498
  668    HB2  ASP  84           HB2      ASP  84 -22.233  -2.726 -15.884
  669    HB3  ASP  84           HB3      ASP  84 -23.871  -2.168 -16.260
  670    H    ILE  85           H        ILE  85 -24.517  -2.555 -11.848
  671    HA   ILE  85           HA       ILE  85 -26.924  -1.137 -12.245
  672    HB   ILE  85           HB       ILE  85 -27.111  -0.977  -9.852
  673   HG12  ILE  85          HG12      ILE  85 -24.225  -1.895  -9.672
  674   HG13  ILE  85          HG13      ILE  85 -24.806  -0.280  -9.282
  675   HG21  ILE  85          HG21      ILE  85 -25.855  -3.663 -10.568
  676   HG22  ILE  85          HG22      ILE  85 -27.125  -3.333  -9.370
  677   HG23  ILE  85          HG23      ILE  85 -27.475  -3.147 -11.086
  678   HD11  ILE  85          HD11      ILE  85 -25.504  -2.839  -7.791
  679   HD12  ILE  85          HD12      ILE  85 -24.472  -1.523  -7.235
  680   HD13  ILE  85          HD13      ILE  85 -26.210  -1.239  -7.458
  681    H    GLY  86           H        GLY  86 -23.709   0.167 -11.965
  682    HA2  GLY  86           HA2      GLY  86 -24.555   2.890 -11.333
  683    HA3  GLY  86           HA3      GLY  86 -22.932   2.305 -11.725
  684    H    GLY  87           H        GLY  87 -24.701   1.025 -14.209
  685    HA2  GLY  87           HA2      GLY  87 -24.847   3.479 -15.880
  686    HA3  GLY  87           HA3      GLY  87 -23.702   2.209 -16.321
  687    H    LYS  88           H        LYS  88 -24.494   0.198 -17.121
  688    HA   LYS  88           HA       LYS  88 -26.785   0.463 -18.762
  689    HB2  LYS  88           HB2      LYS  88 -25.495  -2.150 -17.858
  690    HB3  LYS  88           HB3      LYS  88 -26.555  -1.947 -19.240
  691    HG2  LYS  88           HG2      LYS  88 -23.779  -0.725 -18.945
  692    HG3  LYS  88           HG3      LYS  88 -24.225  -2.132 -19.905
  693    HD2  LYS  88           HD2      LYS  88 -25.725  -0.694 -21.297
  694    HD3  LYS  88           HD3      LYS  88 -25.168   0.728 -20.380
  695    HE2  LYS  88           HE2      LYS  88 -22.832   0.255 -21.058
  696    HE3  LYS  88           HE3      LYS  88 -23.372  -1.169 -21.955
  697    HZ1  LYS  88           HZ1      LYS  88 -24.148   1.625 -22.571
  698    HZ2  LYS  88           HZ2      LYS  88 -23.076   0.731 -23.409
  699    HZ3  LYS  88           HZ3      LYS  88 -24.647   0.306 -23.401
  700    H    ASP  89           H        ASP  89 -26.483  -1.019 -15.600
  701    HA   ASP  89           HA       ASP  89 -27.768  -1.918 -14.088
  702    HB2  ASP  89           HB2      ASP  89 -28.701   0.325 -14.048
  703    HB3  ASP  89           HB3      ASP  89 -29.890  -0.117 -15.277
  704    H    ASP  90           H        ASP  90 -29.112  -2.347 -17.276
  705    HA   ASP  90           HA       ASP  90 -30.766  -4.642 -16.383
  706    HB2  ASP  90           HB2      ASP  90 -31.787  -2.634 -17.484
  707    HB3  ASP  90           HB3      ASP  90 -30.797  -2.965 -18.909
  708    H    ASP  91           H        ASP  91 -27.714  -4.402 -17.292
  709    HA   ASP  91           HA       ASP  91 -27.787  -6.904 -18.868
  710    HB2  ASP  91           HB2      ASP  91 -27.443  -4.862 -20.402
  711    HB3  ASP  91           HB3      ASP  91 -25.858  -4.710 -19.624
  712    H    VAL  92           H        VAL  92 -25.664  -7.961 -18.934
  713    HA   VAL  92           HA       VAL  92 -24.196  -7.677 -16.361
  714    HB   VAL  92           HB       VAL  92 -25.319 -10.278 -17.473
  715   HG11  VAL  92          HG11      VAL  92 -24.320  -9.654 -14.667
  716   HG12  VAL  92          HG12      VAL  92 -24.883 -11.220 -15.288
  717   HG13  VAL  92          HG13      VAL  92 -23.390 -10.529 -15.906
  718   HG21  VAL  92          HG21      VAL  92 -26.554  -8.508 -15.328
  719   HG22  VAL  92          HG22      VAL  92 -27.290  -9.013 -16.864
  720   HG23  VAL  92          HG23      VAL  92 -26.998 -10.205 -15.605
  721    H    TYR  93           H        TYR  93 -22.134  -8.553 -16.383
  722    HA   TYR  93           HA       TYR  93 -20.860  -9.433 -18.907
  723    HB2  TYR  93           HB2      TYR  93 -19.901  -7.159 -17.106
  724    HB3  TYR  93           HB3      TYR  93 -19.075  -7.763 -18.530
  725    HD1  TYR  93           HD2      TYR  93 -19.956  -7.331 -20.814
  726    HD2  TYR  93           HD1      TYR  93 -21.774  -5.603 -17.300
  727    HE1  TYR  93           HE2      TYR  93 -21.116  -5.677 -22.238
  728    HE2  TYR  93           HE1      TYR  93 -22.958  -3.957 -18.716
  729    HH   TYR  93           HH       TYR  93 -22.560  -3.870 -22.302
  730    H    THR  94           H        THR  94 -18.278  -9.556 -17.967
  731    HA   THR  94           HA       THR  94 -18.332 -10.961 -15.356
  732    HB   THR  94           HB       THR  94 -16.637 -11.757 -17.756
  733    HG1  THR  94           HG1      THR  94 -18.809 -12.271 -18.096
  734   HG21  THR  94          HG21      THR  94 -17.125 -13.178 -15.100
  735   HG22  THR  94          HG22      THR  94 -16.155 -13.795 -16.454
  736   HG23  THR  94          HG23      THR  94 -15.620 -12.360 -15.572
  737    H    ALA  95           H        ALA  95 -16.529 -10.485 -14.077
  738    HA   ALA  95           HA       ALA  95 -14.529  -8.536 -15.110
  739    HB1  ALA  95           HB1      ALA  95 -16.131  -8.254 -12.529
  740    HB2  ALA  95           HB2      ALA  95 -14.649  -7.341 -12.886
  741    HB3  ALA  95           HB3      ALA  95 -16.071  -7.119 -13.902
  742    H    LYS  96           H        LYS  96 -12.565  -8.566 -13.941
  743    HA   LYS  96           HA       LYS  96 -11.886 -11.172 -12.713
  744    HB2  LYS  96           HB2      LYS  96  -9.640  -9.923 -12.394
  745    HB3  LYS  96           HB3      LYS  96 -10.069 -10.520 -13.982
  746    HG2  LYS  96           HG2      LYS  96 -10.807  -7.676 -13.331
  747    HG3  LYS  96           HG3      LYS  96  -9.104  -8.050 -13.589
  748    HD2  LYS  96           HD2      LYS  96  -9.434  -8.756 -15.809
  749    HD3  LYS  96           HD3      LYS  96 -11.186  -8.908 -15.634
  750    HE2  LYS  96           HE2      LYS  96 -11.489  -6.510 -15.496
  751    HE3  LYS  96           HE3      LYS  96  -9.744  -6.240 -15.357
  752    HZ1  LYS  96           HZ1      LYS  96 -11.098  -7.316 -17.769
  753    HZ2  LYS  96           HZ2      LYS  96 -10.521  -5.799 -17.598
  754    HZ3  LYS  96           HZ3      LYS  96  -9.492  -7.056 -17.625
  755    H    LEU  97           H        LEU  97 -11.915 -11.467 -10.528
  756    HA   LEU  97           HA       LEU  97 -13.168  -9.519  -8.845
  757    HB2  LEU  97           HB2      LEU  97 -13.162 -11.976  -8.427
  758    HB3  LEU  97           HB3      LEU  97 -11.424 -11.914  -8.115
  759    HG   LEU  97           HG       LEU  97 -11.804 -10.479  -6.135
  760   HD11  LEU  97          HD11      LEU  97 -14.179 -10.184  -5.299
  761   HD12  LEU  97          HD12      LEU  97 -13.817  -9.239  -6.735
  762   HD13  LEU  97          HD13      LEU  97 -14.759 -10.741  -6.876
  763   HD21  LEU  97          HD21      LEU  97 -12.808 -12.184  -4.722
  764   HD22  LEU  97          HD22      LEU  97 -13.593 -12.936  -6.128
  765   HD23  LEU  97          HD23      LEU  97 -11.820 -12.960  -5.960
  766    H    SER  98           H        SER  98  -9.834 -10.232  -9.675
  767    HA   SER  98           HA       SER  98  -8.255  -8.768  -8.010
  768    HB2  SER  98           HB2      SER  98  -8.035  -8.855 -11.038
  769    HB3  SER  98           HB3      SER  98  -6.722  -8.877  -9.853
  770    HG   SER  98           HG       SER  98  -7.280 -10.976 -10.772
  771    H    ASP  99           H        ASP  99 -10.648  -7.418 -10.235
  772    HA   ASP  99           HA       ASP  99  -9.365  -4.745 -10.018
  773    HB2  ASP  99           HB2      ASP  99  -9.483  -6.029 -12.258
  774    HB3  ASP  99           HB3      ASP  99 -11.215  -5.674 -12.226
  775    H    ILE 100           H        ILE 100 -11.524  -6.256  -8.396
  776    HA   ILE 100           HA       ILE 100 -13.539  -4.053  -8.357
  777    HB   ILE 100           HB       ILE 100 -13.802  -7.003  -8.404
  778   HG12  ILE 100          HG12      ILE 100 -15.746  -4.742  -9.028
  779   HG13  ILE 100          HG13      ILE 100 -14.540  -5.370 -10.172
  780   HG21  ILE 100          HG21      ILE 100 -15.836  -7.212  -7.118
  781   HG22  ILE 100          HG22      ILE 100 -14.547  -6.673  -6.065
  782   HG23  ILE 100          HG23      ILE 100 -15.767  -5.505  -6.636
  783   HD11  ILE 100          HD11      ILE 100 -16.942  -6.837  -9.042
  784   HD12  ILE 100          HD12      ILE 100 -16.648  -6.344 -10.715
  785   HD13  ILE 100          HD13      ILE 100 -15.650  -7.625  -9.990
  786    H    GLU 101           H        GLU 101 -14.343  -3.442  -6.452
  787    HA   GLU 101           HA       GLU 101 -12.849  -4.090  -3.952
  788    HB2  GLU 101           HB2      GLU 101 -12.201  -1.892  -4.801
  789    HB3  GLU 101           HB3      GLU 101 -13.897  -1.423  -4.998
  790    HG2  GLU 101           HG2      GLU 101 -14.259  -1.432  -2.603
  791    HG3  GLU 101           HG3      GLU 101 -12.686  -2.181  -2.318
  792    H    ALA 102           H        ALA 102 -14.236  -5.029  -2.517
  793    HA   ALA 102           HA       ALA 102 -17.074  -5.226  -3.218
  794    HB1  ALA 102           HB1      ALA 102 -15.757  -7.151  -2.373
  795    HB2  ALA 102           HB2      ALA 102 -15.567  -6.334  -0.806
  796    HB3  ALA 102           HB3      ALA 102 -17.183  -6.807  -1.376
  797    H    ILE 103           H        ILE 103 -18.753  -4.287  -2.173
  798    HA   ILE 103           HA       ILE 103 -18.221  -2.440   0.119
  799    HB   ILE 103           HB       ILE 103 -19.729  -2.033  -2.475
  800   HG12  ILE 103          HG12      ILE 103 -17.533  -0.375  -1.146
  801   HG13  ILE 103          HG13      ILE 103 -17.251  -1.567  -2.415
  802   HG21  ILE 103          HG21      ILE 103 -19.850  -0.207  -0.036
  803   HG22  ILE 103          HG22      ILE 103 -20.536   0.149  -1.637
  804   HG23  ILE 103          HG23      ILE 103 -21.196  -1.166  -0.701
  805   HD11  ILE 103          HD11      ILE 103 -18.823   0.995  -2.721
  806   HD12  ILE 103          HD12      ILE 103 -17.265   0.559  -3.437
  807   HD13  ILE 103          HD13      ILE 103 -18.738  -0.308  -3.939
  808    H    ASP 104           H        ASP 104 -19.744  -2.389   1.691
  809    HA   ASP 104           HA       ASP 104 -21.430  -3.031   3.010
  810    HB2  ASP 104           HB2      ASP 104 -22.542  -1.504   1.434
  811    HB3  ASP 104           HB3      ASP 104 -23.042  -2.878   0.446
  812    H    VAL 105           H        VAL 105 -19.854  -5.199   2.264
  813    HA   VAL 105           HA       VAL 105 -21.849  -7.414   2.295
  814    HB   VAL 105           HB       VAL 105 -20.275  -7.101   0.274
  815   HG11  VAL 105          HG11      VAL 105 -18.153  -6.781   1.475
  816   HG12  VAL 105          HG12      VAL 105 -18.265  -8.443   2.094
  817   HG13  VAL 105          HG13      VAL 105 -18.109  -8.151   0.354
  818   HG21  VAL 105          HG21      VAL 105 -20.244  -9.424  -0.156
  819   HG22  VAL 105          HG22      VAL 105 -20.444  -9.825   1.565
  820   HG23  VAL 105          HG23      VAL 105 -21.745  -9.017   0.676
  821    H    ASP 106           H        ASP 106 -21.003  -9.435   3.407
  822    HA   ASP 106           HA       ASP 106 -20.527  -8.798   6.164
  823    HB2  ASP 106           HB2      ASP 106 -21.847 -10.743   5.390
  824    HB3  ASP 106           HB3      ASP 106 -20.372 -11.444   4.689
  825    H    ASP 107           H        ASP 107 -18.782  -9.476   7.444
  826    HA   ASP 107           HA       ASP 107 -16.189  -8.734   6.616
  827    HB2  ASP 107           HB2      ASP 107 -16.936  -8.750   8.947
  828    HB3  ASP 107           HB3      ASP 107 -17.101 -10.507   8.909
  829    H    ASP 108           H        ASP 108 -17.654 -12.060   6.658
  830    HA   ASP 108           HA       ASP 108 -15.060 -13.235   6.171
  831    HB2  ASP 108           HB2      ASP 108 -17.161 -14.332   7.209
  832    HB3  ASP 108           HB3      ASP 108 -17.711 -14.558   5.540
  833    H    THR 109           H        THR 109 -17.661 -12.010   4.124
  834    HA   THR 109           HA       THR 109 -16.668 -13.156   1.616
  835    HB   THR 109           HB       THR 109 -18.628 -10.873   2.200
  836    HG1  THR 109           HG1      THR 109 -19.204 -13.079   2.840
  837   HG21  THR 109          HG21      THR 109 -19.397 -11.488  -0.183
  838   HG22  THR 109          HG22      THR 109 -17.893 -10.545  -0.045
  839   HG23  THR 109          HG23      THR 109 -17.835 -12.282  -0.346
  840    H    GLN 110           H        GLN 110 -16.564  -9.939   3.280
  841    HA   GLN 110           HA       GLN 110 -14.967  -8.682   1.354
  842    HB2  GLN 110           HB2      GLN 110 -16.305  -7.809   3.490
  843    HB3  GLN 110           HB3      GLN 110 -14.746  -7.957   4.291
  844    HG2  GLN 110           HG2      GLN 110 -15.384  -6.320   1.789
  845    HG3  GLN 110           HG3      GLN 110 -15.223  -5.677   3.415
  846   HE21  GLN 110          HE22      GLN 110 -13.547  -6.111   0.520
  847   HE22  GLN 110          HE21      GLN 110 -11.920  -5.986   1.136
  848    H    GLU 111           H        GLU 111 -13.968 -10.528   4.295
  849    HA   GLU 111           HA       GLU 111 -11.193 -10.127   4.114
  850    HB2  GLU 111           HB2      GLU 111 -12.984 -12.317   5.202
  851    HB3  GLU 111           HB3      GLU 111 -11.251 -12.561   5.191
  852    HG2  GLU 111           HG2      GLU 111 -12.371 -10.003   6.393
  853    HG3  GLU 111           HG3      GLU 111 -12.408 -11.512   7.297
  854    H    ALA 112           H        ALA 112 -13.249 -12.576   2.436
  855    HA   ALA 112           HA       ALA 112 -11.019 -14.064   1.416
  856    HB1  ALA 112           HB1      ALA 112 -13.324 -14.965   1.553
  857    HB2  ALA 112           HB2      ALA 112 -13.850 -13.826   0.291
  858    HB3  ALA 112           HB3      ALA 112 -12.659 -15.091  -0.084
  859    H    ILE 113           H        ILE 113 -12.981 -11.385   0.082
  860    HA   ILE 113           HA       ILE 113 -11.642 -11.296  -2.458
  861    HB   ILE 113           HB       ILE 113 -13.311  -9.237  -0.949
  862   HG12  ILE 113          HG12      ILE 113 -14.133 -11.143  -3.193
  863   HG13  ILE 113          HG13      ILE 113 -14.417 -11.474  -1.500
  864   HG21  ILE 113          HG21      ILE 113 -12.448  -9.293  -3.878
  865   HG22  ILE 113          HG22      ILE 113 -13.656  -8.178  -3.204
  866   HG23  ILE 113          HG23      ILE 113 -11.987  -8.091  -2.662
  867   HD11  ILE 113          HD11      ILE 113 -15.741  -9.346  -1.333
  868   HD12  ILE 113          HD12      ILE 113 -15.647  -9.251  -3.118
  869   HD13  ILE 113          HD13      ILE 113 -16.438 -10.626  -2.337
  870    H    ALA 114           H        ALA 114 -11.244  -9.461   0.618
  871    HA   ALA 114           HA       ALA 114  -9.236  -7.688  -0.242
  872    HB1  ALA 114           HB1      ALA 114  -8.700  -7.470   2.153
  873    HB2  ALA 114           HB2      ALA 114 -10.452  -7.454   1.899
  874    HB3  ALA 114           HB3      ALA 114  -9.657  -8.917   2.522
  875    H    ASP 115           H        ASP 115  -8.942 -11.009   1.208
  876    HA   ASP 115           HA       ASP 115  -6.071 -10.774   1.096
  877    HB2  ASP 115           HB2      ASP 115  -7.283 -12.210   2.780
  878    HB3  ASP 115           HB3      ASP 115  -7.488 -13.404   1.484
  879    H    TRP 116           H        TRP 116  -8.454 -11.857  -1.284
  880    HA   TRP 116           HA       TRP 116  -6.552 -13.216  -2.992
  881    HB2  TRP 116           HB2      TRP 116  -8.876 -13.511  -3.488
  882    HB3  TRP 116           HB3      TRP 116  -9.179 -11.783  -3.517
  883    HD1  TRP 116           HD1      TRP 116  -9.202 -10.666  -5.802
  884    HE1  TRP 116           HE1      TRP 116  -8.330 -11.201  -8.171
  885    HE3  TRP 116           HE3      TRP 116  -6.732 -15.047  -4.826
  886    HZ2  TRP 116           HZ2      TRP 116  -6.822 -13.258  -9.456
  887    HZ3  TRP 116           HZ3      TRP 116  -5.598 -16.271  -6.634
  888    HH2  TRP 116           HH2      TRP 116  -5.625 -15.386  -8.969
  889    H    LEU 117           H        LEU 117  -7.677  -9.808  -2.715
  890    HA   LEU 117           HA       LEU 117  -6.034  -8.779  -4.813
  891    HB2  LEU 117           HB2      LEU 117  -7.170  -7.457  -2.314
  892    HB3  LEU 117           HB3      LEU 117  -6.419  -6.573  -3.630
  893    HG   LEU 117           HG       LEU 117  -8.800  -8.405  -4.147
  894   HD11  LEU 117          HD11      LEU 117  -9.496  -6.880  -2.384
  895   HD12  LEU 117          HD12      LEU 117  -8.893  -5.482  -3.308
  896   HD13  LEU 117          HD13      LEU 117 -10.265  -6.441  -3.916
  897   HD21  LEU 117          HD21      LEU 117  -7.769  -5.939  -5.603
  898   HD22  LEU 117          HD22      LEU 117  -7.511  -7.620  -6.109
  899   HD23  LEU 117          HD23      LEU 117  -9.150  -6.951  -6.074
  900    H    TYR 118           H        TYR 118  -5.517  -9.056  -1.255
  901    HA   TYR 118           HA       TYR 118  -2.900  -7.979  -1.231
  902    HB2  TYR 118           HB2      TYR 118  -3.990 -10.171   0.559
  903    HB3  TYR 118           HB3      TYR 118  -2.575  -9.186   0.870
  904    HD1  TYR 118           HD2      TYR 118  -4.061  -6.475  -0.118
  905    HD2  TYR 118           HD1      TYR 118  -4.961  -9.615   2.712
  906    HE1  TYR 118           HE2      TYR 118  -5.438  -4.907   1.174
  907    HE2  TYR 118           HE1      TYR 118  -6.386  -8.055   3.984
  908    HH   TYR 118           HH       TYR 118  -6.822  -4.615   3.030
  909    H    TRP 119           H        TRP 119  -3.896 -11.464  -1.530
  910    HA   TRP 119           HA       TRP 119  -1.410 -12.629  -1.798
  911    HB2  TRP 119           HB2      TRP 119  -3.172 -14.115  -1.686
  912    HB3  TRP 119           HB3      TRP 119  -4.157 -13.220  -2.821
  913    HD1  TRP 119           HD1      TRP 119  -4.050 -13.701  -5.319
  914    HE1  TRP 119           HE1      TRP 119  -3.208 -15.660  -6.688
  915    HE3  TRP 119           HE3      TRP 119  -1.086 -15.907  -1.773
  916    HZ2  TRP 119           HZ2      TRP 119  -1.527 -18.004  -6.263
  917    HZ3  TRP 119           HZ3      TRP 119   0.037 -18.062  -2.251
  918    HH2  TRP 119           HH2      TRP 119  -0.209 -19.140  -4.469
  919    H    LEU 120           H        LEU 120  -3.264 -10.939  -4.375
  920    HA   LEU 120           HA       LEU 120  -1.593 -11.768  -6.526
  921    HB2  LEU 120           HB2      LEU 120  -3.308  -9.288  -6.071
  922    HB3  LEU 120           HB3      LEU 120  -2.400  -9.524  -7.552
  923    HG   LEU 120           HG       LEU 120  -4.526 -11.471  -6.553
  924   HD11  LEU 120          HD11      LEU 120  -5.903 -10.445  -8.296
  925   HD12  LEU 120          HD12      LEU 120  -5.427  -9.235  -7.094
  926   HD13  LEU 120          HD13      LEU 120  -4.605  -9.277  -8.668
  927   HD21  LEU 120          HD21      LEU 120  -2.901 -11.243  -9.119
  928   HD22  LEU 120          HD22      LEU 120  -2.960 -12.608  -7.983
  929   HD23  LEU 120          HD23      LEU 120  -4.372 -12.236  -8.970
  930    H    ALA 121           H        ALA 121  -1.579  -8.861  -4.440
  931    HA   ALA 121           HA       ALA 121   0.691  -7.747  -5.766
  932    HB1  ALA 121           HB1      ALA 121  -0.637  -7.185  -3.070
  933    HB2  ALA 121           HB2      ALA 121   0.554  -6.102  -3.833
  934    HB3  ALA 121           HB3      ALA 121  -1.023  -6.392  -4.607
  935    H    ARG 122           H        ARG 122   0.196  -9.670  -2.877
  936    HA   ARG 122           HA       ARG 122   2.659  -9.568  -1.533
  937    HB2  ARG 122           HB2      ARG 122   0.433 -10.353  -0.795
  938    HB3  ARG 122           HB3      ARG 122   0.673 -11.854  -1.693
  939    HG2  ARG 122           HG2      ARG 122   2.334 -12.597  -0.161
  940    HG3  ARG 122           HG3      ARG 122   2.651 -10.944   0.413
  941    HD2  ARG 122           HD2      ARG 122   1.355 -12.037   2.111
  942    HD3  ARG 122           HD3      ARG 122   0.388 -10.787   1.315
  943    HE   ARG 122           HE       ARG 122   0.156 -13.620   0.409
  944   HH11  ARG 122          HH11      ARG 122  -1.410 -11.044   2.358
  945   HH12  ARG 122          HH12      ARG 122  -2.960 -11.866   2.344
  946   HH21  ARG 122          HH21      ARG 122  -1.928 -14.663   0.551
  947   HH22  ARG 122          HH22      ARG 122  -3.254 -13.855   1.329
  948    H    GLY 123           H        GLY 123   1.619 -11.448  -4.383
  949    HA2  GLY 123           HA2      GLY 123   3.802 -12.013  -5.716
  950    HA3  GLY 123           HA3      GLY 123   4.093 -13.098  -4.346
  951    H    TYR 124           H        TYR 124   1.707 -12.308  -6.906
  952    HA   TYR 124           HA       TYR 124  -0.018 -14.484  -6.641
  953    HB2  TYR 124           HB2      TYR 124  -0.258 -12.444  -8.091
  954    HB3  TYR 124           HB3      TYR 124   0.937 -13.093  -9.183
  955    HD1  TYR 124           HD1      TYR 124  -1.363 -15.678  -7.934
  956    HD2  TYR 124           HD2      TYR 124  -0.872 -12.522 -10.843
  957    HE1  TYR 124           HE1      TYR 124  -3.279 -16.551  -9.206
  958    HE2  TYR 124           HE2      TYR 124  -2.784 -13.411 -12.130
  959    HH   TYR 124           HH       TYR 124  -4.451 -15.030 -12.237
  960    H    LYS 125           H        LYS 125   0.742 -16.614  -6.415
  961    HA   LYS 125           HA       LYS 125   3.162 -17.427  -7.817
  962    HB2  LYS 125           HB2      LYS 125   1.294 -19.157  -6.155
  963    HB3  LYS 125           HB3      LYS 125   2.928 -19.545  -6.650
  964    HG2  LYS 125           HG2      LYS 125   2.127 -17.349  -4.700
  965    HG3  LYS 125           HG3      LYS 125   2.839 -18.907  -4.299
  966    HD2  LYS 125           HD2      LYS 125   4.911 -18.307  -5.516
  967    HD3  LYS 125           HD3      LYS 125   4.216 -16.722  -5.929
  968    HE2  LYS 125           HE2      LYS 125   3.989 -16.162  -3.547
  969    HE3  LYS 125           HE3      LYS 125   4.620 -17.750  -3.088
  970    HZ1  LYS 125           HZ1      LYS 125   6.150 -15.684  -4.567
  971    HZ2  LYS 125           HZ2      LYS 125   6.334 -16.055  -2.990
  972    HZ3  LYS 125           HZ3      LYS 125   6.725 -17.151  -4.127
  973    H    PHE 126           H        PHE 126  -0.283 -18.569  -7.983
  974    HA   PHE 126           HA       PHE 126   0.459 -20.528  -9.950
  975    HB2  PHE 126           HB2      PHE 126  -1.752 -21.240 -10.006
  976    HB3  PHE 126           HB3      PHE 126  -1.336 -20.919  -8.340
  977    HD1  PHE 126           HD2      PHE 126  -3.203 -19.565 -11.286
  978    HD2  PHE 126           HD1      PHE 126  -2.864 -19.648  -6.971
  979    HE1  PHE 126           HE2      PHE 126  -5.393 -18.428 -11.079
  980    HE2  PHE 126           HE1      PHE 126  -5.012 -18.468  -6.797
  981    HZ   PHE 126           HZ       PHE 126  -6.310 -17.881  -8.832
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   4.600  -6.283  -5.090
    2    H2   MET   1           H2       MET   1   5.134  -7.676  -4.414
    3    H3   MET   1           H3       MET   1   3.530  -7.368  -4.466
    4    HA   MET   1           HA       MET   1   5.536  -5.912  -2.886
    5    HB2  MET   1           HB2      MET   1   3.828  -4.367  -3.772
    6    HB3  MET   1           HB3      MET   1   2.541  -5.376  -3.105
    7    HG2  MET   1           HG2      MET   1   3.436  -4.949  -0.809
    8    HG3  MET   1           HG3      MET   1   4.689  -3.918  -1.506
    9    HE1  MET   1           HE1      MET   1   2.198  -1.506   0.427
   10    HE2  MET   1           HE2      MET   1   2.541  -3.196   0.856
   11    HE3  MET   1           HE3      MET   1   3.863  -2.120   0.340
   12    H    ALA   2           H        ALA   2   6.177  -7.872  -1.754
   13    HA   ALA   2           HA       ALA   2   4.276  -9.635  -0.547
   14    HB1  ALA   2           HB1      ALA   2   6.621 -10.267  -0.918
   15    HB2  ALA   2           HB2      ALA   2   7.156  -9.027   0.242
   16    HB3  ALA   2           HB3      ALA   2   6.192 -10.411   0.796
   17    H    SER   3           H        SER   3   5.630  -6.543   0.492
   18    HA   SER   3           HA       SER   3   5.327  -6.567   3.189
   19    HB2  SER   3           HB2      SER   3   4.860  -4.210   1.358
   20    HB3  SER   3           HB3      SER   3   5.470  -4.178   3.026
   21    HG   SER   3           HG       SER   3   7.140  -4.058   1.442
   22    H    VAL   4           H        VAL   4   2.561  -6.709   1.091
   23    HA   VAL   4           HA       VAL   4   0.709  -5.391   2.858
   24    HB   VAL   4           HB       VAL   4  -1.017  -6.628   1.647
   25   HG11  VAL   4          HG11      VAL   4  -0.012  -4.549   0.689
   26   HG12  VAL   4          HG12      VAL   4   1.081  -5.555  -0.288
   27   HG13  VAL   4          HG13      VAL   4  -0.671  -5.643  -0.534
   28   HG21  VAL   4          HG21      VAL   4  -0.004  -8.808   1.246
   29   HG22  VAL   4          HG22      VAL   4  -0.426  -8.067  -0.293
   30   HG23  VAL   4          HG23      VAL   4   1.262  -8.090   0.227
   31    H    GLU   5           H        GLU   5   2.150  -8.673   2.783
   32    HA   GLU   5           HA       GLU   5   1.051  -9.331   5.421
   33    HB2  GLU   5           HB2      GLU   5   0.212 -10.774   2.874
   34    HB3  GLU   5           HB3      GLU   5   0.051 -11.490   4.471
   35    HG2  GLU   5           HG2      GLU   5  -1.400  -9.031   3.450
   36    HG3  GLU   5           HG3      GLU   5  -2.061 -10.636   3.677
   37    H    ARG   6           H        ARG   6   3.613  -8.941   5.199
   38    HA   ARG   6           HA       ARG   6   5.127 -11.238   4.256
   39    HB2  ARG   6           HB2      ARG   6   5.789  -8.928   6.124
   40    HB3  ARG   6           HB3      ARG   6   6.926 -10.254   5.837
   41    HG2  ARG   6           HG2      ARG   6   6.958  -9.832   3.444
   42    HG3  ARG   6           HG3      ARG   6   5.708  -8.599   3.618
   43    HD2  ARG   6           HD2      ARG   6   7.270  -7.272   5.076
   44    HD3  ARG   6           HD3      ARG   6   8.538  -8.454   4.747
   45    HE   ARG   6           HE       ARG   6   7.449  -6.387   2.953
   46   HH11  ARG   6          HH11      ARG   6   9.515  -9.282   3.100
   47   HH12  ARG   6          HH12      ARG   6  10.258  -8.973   1.576
   48   HH21  ARG   6          HH21      ARG   6   8.356  -6.008   0.998
   49   HH22  ARG   6          HH22      ARG   6   9.609  -7.020   0.341
   50    H    ASP   7           H        ASP   7   3.232 -10.651   7.135
   51    HA   ASP   7           HA       ASP   7   4.513 -12.460   8.917
   52    HB2  ASP   7           HB2      ASP   7   2.779 -10.818   9.588
   53    HB3  ASP   7           HB3      ASP   7   1.558 -11.757   8.720
   54    H    GLU   8           H        GLU   8   4.534 -14.659   9.007
   55    HA   GLU   8           HA       GLU   8   3.898 -16.046   6.613
   56    HB2  GLU   8           HB2      GLU   8   4.835 -17.056   9.333
   57    HB3  GLU   8           HB3      GLU   8   4.768 -18.036   7.862
   58    HG2  GLU   8           HG2      GLU   8   6.324 -16.446   6.736
   59    HG3  GLU   8           HG3      GLU   8   6.465 -15.532   8.240
   60    H    THR   9           H        THR   9   1.775 -15.420   9.303
   61    HA   THR   9           HA       THR   9   0.475 -17.889   9.604
   62    HB   THR   9           HB       THR   9  -0.784 -15.139   9.758
   63    HG1  THR   9           HG1      THR   9   0.948 -15.021  10.976
   64   HG21  THR   9          HG21      THR   9  -2.431 -16.937   9.985
   65   HG22  THR   9          HG22      THR   9  -1.409 -17.763  11.183
   66   HG23  THR   9          HG23      THR   9  -2.150 -16.188  11.561
   67    H    ARG  10           H        ARG  10  -0.324 -15.300   7.149
   68    HA   ARG  10           HA       ARG  10  -2.529 -16.874   6.169
   69    HB2  ARG  10           HB2      ARG  10  -0.978 -14.609   4.843
   70    HB3  ARG  10           HB3      ARG  10  -2.334 -15.427   4.078
   71    HG2  ARG  10           HG2      ARG  10  -2.431 -13.808   6.643
   72    HG3  ARG  10           HG3      ARG  10  -3.115 -13.368   5.080
   73    HD2  ARG  10           HD2      ARG  10  -4.014 -15.647   6.879
   74    HD3  ARG  10           HD3      ARG  10  -4.855 -14.120   6.634
   75    HE   ARG  10           HE       ARG  10  -5.042 -14.801   4.183
   76   HH11  ARG  10          HH11      ARG  10  -5.372 -17.104   6.896
   77   HH12  ARG  10          HH12      ARG  10  -6.204 -18.304   5.941
   78   HH21  ARG  10          HH21      ARG  10  -6.251 -16.342   3.000
   79   HH22  ARG  10          HH22      ARG  10  -6.721 -17.845   3.751
   80    H    GLU  11           H        GLU  11   0.888 -16.939   5.341
   81    HA   GLU  11           HA       GLU  11   0.537 -18.572   2.972
   82    HB2  GLU  11           HB2      GLU  11   2.937 -18.224   4.830
   83    HB3  GLU  11           HB3      GLU  11   2.970 -19.102   3.305
   84    HG2  GLU  11           HG2      GLU  11   2.329 -16.135   3.608
   85    HG3  GLU  11           HG3      GLU  11   3.880 -16.805   3.122
   86    H    HIS  12           H        HIS  12   1.249 -19.283   6.431
   87    HA   HIS  12           HA       HIS  12   1.303 -22.141   6.188
   88    HB2  HIS  12           HB2      HIS  12   2.203 -21.307   8.168
   89    HB3  HIS  12           HB3      HIS  12   0.960 -20.080   8.355
   90    HD1  HIS  12           HD1      HIS  12   0.792 -23.993   8.513
   91    HD2  HIS  12           HD2      HIS  12  -0.565 -20.441  10.323
   92    HE1  HIS  12           HE1      HIS  12  -0.720 -24.703  10.432
   93    H    ARG  13           H        ARG  13  -1.368 -19.816   6.867
   94    HA   ARG  13           HA       ARG  13  -3.245 -21.917   7.437
   95    HB2  ARG  13           HB2      ARG  13  -3.530 -18.933   6.888
   96    HB3  ARG  13           HB3      ARG  13  -4.900 -19.972   7.210
   97    HG2  ARG  13           HG2      ARG  13  -2.659 -19.339   9.147
   98    HG3  ARG  13           HG3      ARG  13  -4.346 -18.860   9.246
   99    HD2  ARG  13           HD2      ARG  13  -3.152 -21.626   9.571
  100    HD3  ARG  13           HD3      ARG  13  -3.914 -20.628  10.812
  101    HE   ARG  13           HE       ARG  13  -5.827 -21.035   8.743
  102   HH11  ARG  13          HH21      ARG  13  -4.127 -23.080  11.109
  103   HH12  ARG  13          HH22      ARG  13  -5.398 -24.248  11.184
  104   HH21  ARG  13          HH11      ARG  13  -7.379 -22.477   8.777
  105   HH22  ARG  13          HH12      ARG  13  -7.373 -23.899   9.811
  106    H    ILE  14           H        ILE  14  -2.745 -19.899   4.461
  107    HA   ILE  14           HA       ILE  14  -4.921 -21.092   3.136
  108    HB   ILE  14           HB       ILE  14  -3.725 -19.030   2.409
  109   HG12  ILE  14          HG12      ILE  14  -4.219 -21.222   0.344
  110   HG13  ILE  14          HG13      ILE  14  -5.422 -20.152   1.067
  111   HG21  ILE  14          HG21      ILE  14  -1.783 -19.076   0.997
  112   HG22  ILE  14          HG22      ILE  14  -1.378 -19.942   2.467
  113   HG23  ILE  14          HG23      ILE  14  -1.735 -20.852   0.989
  114   HD11  ILE  14          HD11      ILE  14  -4.279 -18.201   0.012
  115   HD12  ILE  14          HD12      ILE  14  -3.206 -19.342  -0.843
  116   HD13  ILE  14          HD13      ILE  14  -4.952 -19.389  -1.129
  117    H    GLU  15           H        GLU  15  -1.507 -22.148   3.427
  118    HA   GLU  15           HA       GLU  15  -1.670 -24.380   1.661
  119    HB2  GLU  15           HB2      GLU  15   0.420 -23.411   2.314
  120    HB3  GLU  15           HB3      GLU  15   0.089 -23.654   4.033
  121    HG2  GLU  15           HG2      GLU  15   0.263 -26.046   3.821
  122    HG3  GLU  15           HG3      GLU  15   0.417 -25.934   2.059
  123    H    THR  16           H        THR  16  -2.743 -23.988   5.028
  124    HA   THR  16           HA       THR  16  -3.132 -26.939   5.219
  125    HB   THR  16           HB       THR  16  -3.227 -26.497   7.681
  126    HG1  THR  16           HG1      THR  16  -2.116 -23.978   7.016
  127   HG21  THR  16          HG21      THR  16  -1.163 -27.293   6.587
  128   HG22  THR  16          HG22      THR  16  -0.651 -25.617   6.302
  129   HG23  THR  16          HG23      THR  16  -0.815 -26.235   7.962
  130    H    GLU  17           H        GLU  17  -5.005 -24.210   4.534
  131    HA   GLU  17           HA       GLU  17  -7.432 -25.629   5.517
  132    HB2  GLU  17           HB2      GLU  17  -8.234 -23.782   6.531
  133    HB3  GLU  17           HB3      GLU  17  -6.513 -23.523   6.752
  134    HG2  GLU  17           HG2      GLU  17  -6.754 -22.098   4.509
  135    HG3  GLU  17           HG3      GLU  17  -8.469 -22.114   4.944
  136    H    ILE  18           H        ILE  18  -6.023 -23.971   2.719
  137    HA   ILE  18           HA       ILE  18  -8.612 -24.407   1.282
  138    HB   ILE  18           HB       ILE  18  -6.569 -22.184   1.061
  139   HG12  ILE  18          HG12      ILE  18  -9.561 -21.828   1.416
  140   HG13  ILE  18          HG13      ILE  18  -8.602 -22.236   2.803
  141   HG21  ILE  18          HG21      ILE  18  -8.998 -22.686  -0.721
  142   HG22  ILE  18          HG22      ILE  18  -7.975 -21.231  -0.756
  143   HG23  ILE  18          HG23      ILE  18  -7.315 -22.783  -1.243
  144   HD11  ILE  18          HD11      ILE  18  -8.932 -19.804   2.600
  145   HD12  ILE  18          HD12      ILE  18  -7.220 -20.259   2.582
  146   HD13  ILE  18          HD13      ILE  18  -8.035 -19.809   1.068
  147    H    ILE  19           H        ILE  19  -5.053 -24.002   0.486
  148    HA   ILE  19           HA       ILE  19  -5.621 -25.602  -1.923
  149    HB   ILE  19           HB       ILE  19  -3.486 -24.801  -2.731
  150   HG12  ILE  19          HG12      ILE  19  -3.203 -23.379  -0.060
  151   HG13  ILE  19          HG13      ILE  19  -2.199 -24.702  -0.648
  152   HG21  ILE  19          HG21      ILE  19  -5.632 -23.465  -2.970
  153   HG22  ILE  19          HG22      ILE  19  -5.085 -22.459  -1.613
  154   HG23  ILE  19          HG23      ILE  19  -4.157 -22.518  -3.114
  155   HD11  ILE  19          HD11      ILE  19  -2.360 -21.883  -1.769
  156   HD12  ILE  19          HD12      ILE  19  -1.013 -22.627  -0.896
  157   HD13  ILE  19          HD13      ILE  19  -1.435 -23.215  -2.519
  158    H    VAL  20           H        VAL  20  -5.478 -26.871   0.759
  159    HA   VAL  20           HA       VAL  20  -3.082 -28.075   1.358
  160    HB   VAL  20           HB       VAL  20  -5.678 -29.557   1.824
  161   HG11  VAL  20          HG11      VAL  20  -4.687 -29.947   4.043
  162   HG12  VAL  20          HG12      VAL  20  -3.571 -30.453   2.769
  163   HG13  VAL  20          HG13      VAL  20  -3.298 -28.920   3.622
  164   HG21  VAL  20          HG21      VAL  20  -6.101 -28.049   3.810
  165   HG22  VAL  20          HG22      VAL  20  -4.962 -26.893   3.079
  166   HG23  VAL  20          HG23      VAL  20  -6.469 -27.342   2.243
  167    H    ASP  21           H        ASP  21  -5.551 -29.226  -0.937
  168    HA   ASP  21           HA       ASP  21  -4.081 -31.751  -1.398
  169    HB2  ASP  21           HB2      ASP  21  -6.524 -31.719  -0.899
  170    HB3  ASP  21           HB3      ASP  21  -6.795 -30.798  -2.379
  171    H    ALA  22           H        ALA  22  -3.663 -28.733  -2.575
  172    HA   ALA  22           HA       ALA  22  -3.682 -29.452  -5.475
  173    HB1  ALA  22           HB1      ALA  22  -5.131 -27.566  -4.878
  174    HB2  ALA  22           HB2      ALA  22  -3.787 -26.761  -4.037
  175    HB3  ALA  22           HB3      ALA  22  -3.725 -26.985  -5.789
  176    H    GLU  23           H        GLU  23  -1.791 -29.338  -6.627
  177    HA   GLU  23           HA       GLU  23   0.685 -28.372  -5.258
  178    HB2  GLU  23           HB2      GLU  23   0.262 -30.933  -6.849
  179    HB3  GLU  23           HB3      GLU  23   1.822 -30.339  -6.267
  180    HG2  GLU  23           HG2      GLU  23   0.961 -30.443  -3.918
  181    HG3  GLU  23           HG3      GLU  23  -0.528 -31.178  -4.520
  182    H    ASP  24           H        ASP  24  -1.307 -27.802  -7.896
  183    HA   ASP  24           HA       ASP  24   0.917 -26.708  -9.547
  184    HB2  ASP  24           HB2      ASP  24   0.275 -28.847 -10.548
  185    HB3  ASP  24           HB3      ASP  24  -1.437 -28.434 -10.428
  186    H    LYS  25           H        LYS  25   0.236 -24.840 -10.801
  187    HA   LYS  25           HA       LYS  25  -1.358 -23.107  -9.359
  188    HB2  LYS  25           HB2      LYS  25  -1.067 -21.525 -11.113
  189    HB3  LYS  25           HB3      LYS  25   0.400 -22.464 -10.947
  190    HG2  LYS  25           HG2      LYS  25   0.298 -22.512 -13.198
  191    HG3  LYS  25           HG3      LYS  25  -0.763 -23.899 -12.938
  192    HD2  LYS  25           HD2      LYS  25  -2.746 -22.370 -13.124
  193    HD3  LYS  25           HD3      LYS  25  -1.666 -21.006 -13.398
  194    HE2  LYS  25           HE2      LYS  25  -1.831 -23.491 -15.169
  195    HE3  LYS  25           HE3      LYS  25  -2.706 -21.989 -15.472
  196    HZ1  LYS  25           HZ1      LYS  25   0.247 -22.247 -15.428
  197    HZ2  LYS  25           HZ2      LYS  25  -0.680 -22.072 -16.753
  198    HZ3  LYS  25           HZ3      LYS  25  -0.572 -20.851 -15.683
  199    H    GLU  26           H        GLU  26  -2.523 -25.328 -11.920
  200    HA   GLU  26           HA       GLU  26  -5.053 -23.909 -12.242
  201    HB2  GLU  26           HB2      GLU  26  -4.220 -26.778 -12.876
  202    HB3  GLU  26           HB3      GLU  26  -5.767 -26.052 -13.311
  203    HG2  GLU  26           HG2      GLU  26  -4.520 -24.271 -14.590
  204    HG3  GLU  26           HG3      GLU  26  -3.023 -25.151 -14.289
  205    H    GLU  27           H        GLU  27  -3.810 -26.600 -10.232
  206    HA   GLU  27           HA       GLU  27  -6.363 -27.233  -9.042
  207    HB2  GLU  27           HB2      GLU  27  -3.533 -27.809  -8.068
  208    HB3  GLU  27           HB3      GLU  27  -5.010 -28.542  -7.446
  209    HG2  GLU  27           HG2      GLU  27  -3.934 -28.831 -10.284
  210    HG3  GLU  27           HG3      GLU  27  -3.792 -30.024  -9.000
  211    H    ARG  28           H        ARG  28  -3.657 -25.026  -8.205
  212    HA   ARG  28           HA       ARG  28  -4.778 -24.213  -5.659
  213    HB2  ARG  28           HB2      ARG  28  -2.765 -22.976  -7.565
  214    HB3  ARG  28           HB3      ARG  28  -3.448 -22.031  -6.248
  215    HG2  ARG  28           HG2      ARG  28  -1.458 -22.797  -5.343
  216    HG3  ARG  28           HG3      ARG  28  -2.707 -23.813  -4.635
  217    HD2  ARG  28           HD2      ARG  28  -2.113 -25.515  -6.490
  218    HD3  ARG  28           HD3      ARG  28  -0.674 -24.539  -6.778
  219    HE   ARG  28           HE       ARG  28  -1.336 -26.260  -4.480
  220   HH11  ARG  28          HH11      ARG  28   1.020 -23.783  -5.623
  221   HH12  ARG  28          HH12      ARG  28   2.210 -24.313  -4.493
  222   HH21  ARG  28          HH21      ARG  28   0.223 -26.938  -3.141
  223   HH22  ARG  28          HH22      ARG  28   1.751 -26.120  -3.006
  224    H    ALA  29           H        ALA  29  -5.332 -23.097  -9.029
  225    HA   ALA  29           HA       ALA  29  -6.938 -20.835  -8.249
  226    HB1  ALA  29           HB1      ALA  29  -7.727 -20.844 -10.555
  227    HB2  ALA  29           HB2      ALA  29  -5.975 -21.123 -10.535
  228    HB3  ALA  29           HB3      ALA  29  -7.098 -22.475 -10.812
  229    H    MET  30           H        MET  30  -7.688 -24.311  -8.939
  230    HA   MET  30           HA       MET  30 -10.497 -24.047  -8.472
  231    HB2  MET  30           HB2      MET  30  -8.680 -26.461  -8.163
  232    HB3  MET  30           HB3      MET  30 -10.440 -26.510  -8.133
  233    HG2  MET  30           HG2      MET  30  -8.794 -25.542 -10.506
  234    HG3  MET  30           HG3      MET  30  -9.417 -27.164 -10.297
  235    HE1  MET  30           HE1      MET  30 -11.474 -23.384 -10.142
  236    HE2  MET  30           HE2      MET  30  -9.994 -23.541 -11.119
  237    HE3  MET  30           HE3      MET  30 -11.594 -23.500 -11.896
  238    H    GLY  31           H        GLY  31  -7.808 -24.760  -6.179
  239    HA2  GLY  31           HA2      GLY  31  -9.409 -25.227  -3.898
  240    HA3  GLY  31           HA3      GLY  31  -7.762 -24.564  -3.895
  241    H    TRP  32           H        TRP  32  -7.927 -22.131  -5.045
  242    HA   TRP  32           HA       TRP  32  -9.098 -20.387  -3.222
  243    HB2  TRP  32           HB2      TRP  32  -8.109 -20.130  -6.061
  244    HB3  TRP  32           HB3      TRP  32  -9.053 -18.822  -5.379
  245    HD1  TRP  32           HD1      TRP  32  -5.599 -20.300  -5.204
  246    HE1  TRP  32           HE1      TRP  32  -4.098 -18.782  -3.808
  247    HE3  TRP  32           HE3      TRP  32  -9.194 -17.224  -3.250
  248    HZ2  TRP  32           HZ2      TRP  32  -4.447 -16.612  -1.899
  249    HZ3  TRP  32           HZ3      TRP  32  -8.582 -15.469  -1.610
  250    HH2  TRP  32           HH2      TRP  32  -6.216 -15.159  -0.925
  251    H    TYR  33           H        TYR  33 -10.397 -21.397  -6.458
  252    HA   TYR  33           HA       TYR  33 -12.723 -19.816  -6.381
  253    HB2  TYR  33           HB2      TYR  33 -12.030 -20.820  -8.447
  254    HB3  TYR  33           HB3      TYR  33 -12.066 -22.441  -7.763
  255    HD1  TYR  33           HD1      TYR  33 -14.151 -23.681  -7.458
  256    HD2  TYR  33           HD2      TYR  33 -14.179 -19.662  -9.026
  257    HE1  TYR  33           HE1      TYR  33 -16.545 -23.915  -7.995
  258    HE2  TYR  33           HE2      TYR  33 -16.533 -19.948  -9.718
  259    HH   TYR  33           HH       TYR  33 -18.414 -22.924  -8.993
  260    H    TYR  34           H        TYR  34 -12.221 -23.204  -5.269
  261    HA   TYR  34           HA       TYR  34 -14.890 -23.833  -4.773
  262    HB2  TYR  34           HB2      TYR  34 -13.303 -25.575  -4.885
  263    HB3  TYR  34           HB3      TYR  34 -12.224 -24.808  -3.731
  264    HD1  TYR  34           HD2      TYR  34 -15.610 -26.406  -3.959
  265    HD2  TYR  34           HD1      TYR  34 -12.257 -25.345  -1.477
  266    HE1  TYR  34           HE2      TYR  34 -16.601 -27.710  -2.091
  267    HE2  TYR  34           HE1      TYR  34 -13.230 -26.644   0.413
  268    HH   TYR  34           HH       TYR  34 -16.359 -28.401   0.123
  269    H    TYR  35           H        TYR  35 -12.420 -22.658  -2.353
  270    HA   TYR  35           HA       TYR  35 -14.488 -22.563  -0.337
  271    HB2  TYR  35           HB2      TYR  35 -12.889 -22.171   1.158
  272    HB3  TYR  35           HB3      TYR  35 -11.821 -22.736  -0.108
  273    HD1  TYR  35           HD1      TYR  35 -10.551 -21.025  -1.490
  274    HD2  TYR  35           HD2      TYR  35 -12.874 -19.904   1.962
  275    HE1  TYR  35           HE1      TYR  35  -9.381 -18.857  -1.427
  276    HE2  TYR  35           HE2      TYR  35 -11.731 -17.716   2.034
  277    HH   TYR  35           HH       TYR  35 -10.124 -16.352   1.075
  278    H    LEU  36           H        LEU  36 -13.069 -20.140  -2.573
  279    HA   LEU  36           HA       LEU  36 -14.139 -17.858  -1.297
  280    HB2  LEU  36           HB2      LEU  36 -12.356 -17.761  -2.954
  281    HB3  LEU  36           HB3      LEU  36 -13.441 -18.379  -4.209
  282    HG   LEU  36           HG       LEU  36 -14.787 -16.336  -4.119
  283   HD11  LEU  36          HD11      LEU  36 -14.548 -15.647  -1.772
  284   HD12  LEU  36          HD12      LEU  36 -12.800 -15.393  -1.999
  285   HD13  LEU  36          HD13      LEU  36 -13.976 -14.354  -2.828
  286   HD21  LEU  36          HD21      LEU  36 -13.152 -14.875  -5.132
  287   HD22  LEU  36          HD22      LEU  36 -11.807 -15.704  -4.315
  288   HD23  LEU  36          HD23      LEU  36 -12.750 -16.534  -5.567
  289    H    ASP  37           H        ASP  37 -15.475 -19.801  -4.078
  290    HA   ASP  37           HA       ASP  37 -17.860 -18.277  -4.362
  291    HB2  ASP  37           HB2      ASP  37 -17.076 -19.869  -6.062
  292    HB3  ASP  37           HB3      ASP  37 -17.322 -21.215  -4.945
  293    H    ASP  38           H        ASP  38 -17.102 -21.103  -2.288
  294    HA   ASP  38           HA       ASP  38 -19.718 -21.374  -1.159
  295    HB2  ASP  38           HB2      ASP  38 -18.010 -23.126  -1.042
  296    HB3  ASP  38           HB3      ASP  38 -16.993 -22.102  -0.028
  297    H    THR  39           H        THR  39 -17.194 -19.003  -0.532
  298    HA   THR  39           HA       THR  39 -18.288 -18.316   2.129
  299    HB   THR  39           HB       THR  39 -15.832 -17.340   0.614
  300    HG1  THR  39           HG1      THR  39 -15.567 -19.404   1.201
  301   HG21  THR  39          HG21      THR  39 -16.827 -16.755   3.429
  302   HG22  THR  39          HG22      THR  39 -15.128 -16.552   2.938
  303   HG23  THR  39          HG23      THR  39 -16.398 -15.601   2.157
  304    H    LEU  40           H        LEU  40 -18.035 -16.946  -1.177
  305    HA   LEU  40           HA       LEU  40 -18.751 -14.279  -0.569
  306    HB2  LEU  40           HB2      LEU  40 -19.299 -15.962  -3.035
  307    HB3  LEU  40           HB3      LEU  40 -19.660 -14.241  -2.936
  308    HG   LEU  40           HG       LEU  40 -16.892 -15.457  -2.723
  309   HD11  LEU  40          HD11      LEU  40 -16.528 -14.558  -4.963
  310   HD12  LEU  40          HD12      LEU  40 -17.923 -15.647  -4.971
  311   HD13  LEU  40          HD13      LEU  40 -18.175 -13.889  -4.992
  312   HD21  LEU  40          HD21      LEU  40 -17.750 -12.581  -2.674
  313   HD22  LEU  40          HD22      LEU  40 -16.734 -13.489  -1.501
  314   HD23  LEU  40          HD23      LEU  40 -16.107 -13.105  -3.099
  315    H    GLU  41           H        GLU  41 -20.609 -13.578   0.427
  316    HA   GLU  41           HA       GLU  41 -23.071 -15.137   0.422
  317    HB2  GLU  41           HB2      GLU  41 -22.268 -12.436   1.575
  318    HB3  GLU  41           HB3      GLU  41 -23.893 -13.106   1.754
  319    HG2  GLU  41           HG2      GLU  41 -21.434 -14.668   2.590
  320    HG3  GLU  41           HG3      GLU  41 -22.230 -13.520   3.666
  321    H    PHE  42           H        PHE  42 -22.531 -14.856  -2.090
  322    HA   PHE  42           HA       PHE  42 -23.385 -12.455  -3.369
  323    HB2  PHE  42           HB2      PHE  42 -23.186 -13.655  -5.444
  324    HB3  PHE  42           HB3      PHE  42 -21.844 -14.062  -4.409
  325    HD1  PHE  42           HD2      PHE  42 -25.105 -15.305  -5.765
  326    HD2  PHE  42           HD1      PHE  42 -21.386 -16.377  -3.850
  327    HE1  PHE  42           HE2      PHE  42 -25.595 -17.704  -6.141
  328    HE2  PHE  42           HE1      PHE  42 -21.884 -18.765  -4.228
  329    HZ   PHE  42           HZ       PHE  42 -23.989 -19.443  -5.369
  330    HA   PRO  43           HA       PRO  43 -24.461 -11.870  -5.460
  331    HB2  PRO  43           HB2      PRO  43 -26.456 -10.116  -6.035
  332    HB3  PRO  43           HB3      PRO  43 -26.345 -11.734  -6.793
  333    HG2  PRO  43           HG2      PRO  43 -28.042 -10.913  -4.418
  334    HG3  PRO  43           HG3      PRO  43 -28.540 -11.839  -5.870
  335    HD2  PRO  43           HD2      PRO  43 -27.850 -13.059  -3.516
  336    HD3  PRO  43           HD3      PRO  43 -27.476 -13.796  -5.100
  337    H    PHE  44           H        PHE  44 -23.660  -9.735  -5.164
  338    HA   PHE  44           HA       PHE  44 -24.427  -8.196  -2.773
  339    HB2  PHE  44           HB2      PHE  44 -22.238  -8.088  -1.858
  340    HB3  PHE  44           HB3      PHE  44 -22.727  -9.764  -1.931
  341    HD1  PHE  44           HD1      PHE  44 -21.700 -11.281  -3.747
  342    HD2  PHE  44           HD2      PHE  44 -20.177  -7.364  -2.812
  343    HE1  PHE  44           HE1      PHE  44 -19.522 -11.895  -4.742
  344    HE2  PHE  44           HE2      PHE  44 -18.016  -7.961  -3.861
  345    HZ   PHE  44           HZ       PHE  44 -17.669 -10.236  -4.802
  346    H    MET  45           H        MET  45 -22.452  -6.201  -2.922
  347    HA   MET  45           HA       MET  45 -22.488  -5.412  -5.783
  348    HB2  MET  45           HB2      MET  45 -23.363  -3.314  -5.417
  349    HB3  MET  45           HB3      MET  45 -24.440  -4.379  -4.544
  350    HG2  MET  45           HG2      MET  45 -23.813  -3.552  -2.475
  351    HG3  MET  45           HG3      MET  45 -22.185  -3.137  -2.981
  352    HE1  MET  45           HE1      MET  45 -21.413  -1.085  -4.281
  353    HE2  MET  45           HE2      MET  45 -22.557  -1.240  -5.622
  354    HE3  MET  45           HE3      MET  45 -22.447   0.283  -4.719
  355    H    GLY  46           H        GLY  46 -21.130  -3.547  -6.255
  356    HA2  GLY  46           HA2      GLY  46 -18.916  -2.958  -4.425
  357    HA3  GLY  46           HA3      GLY  46 -18.480  -4.054  -5.749
  358    H    LYS  47           H        LYS  47 -17.081  -2.021  -5.812
  359    HA   LYS  47           HA       LYS  47 -18.172  -0.386  -8.059
  360    HB2  LYS  47           HB2      LYS  47 -17.497   0.856  -5.856
  361    HB3  LYS  47           HB3      LYS  47 -15.842   0.435  -6.287
  362    HG2  LYS  47           HG2      LYS  47 -16.095   2.579  -7.217
  363    HG3  LYS  47           HG3      LYS  47 -16.404   1.529  -8.601
  364    HD2  LYS  47           HD2      LYS  47 -18.106   3.154  -8.700
  365    HD3  LYS  47           HD3      LYS  47 -18.895   1.735  -8.009
  366    HE2  LYS  47           HE2      LYS  47 -18.822   2.669  -5.781
  367    HE3  LYS  47           HE3      LYS  47 -17.783   4.000  -6.310
  368    HZ1  LYS  47           HZ1      LYS  47 -20.161   4.604  -6.084
  369    HZ2  LYS  47           HZ2      LYS  47 -19.582   4.898  -7.577
  370    HZ3  LYS  47           HZ3      LYS  47 -20.544   3.607  -7.331
  371    H    TRP  48           H        TRP  48 -17.316  -1.042  -9.936
  372    HA   TRP  48           HA       TRP  48 -14.835  -2.654 -10.007
  373    HB2  TRP  48           HB2      TRP  48 -16.799  -3.103 -11.524
  374    HB3  TRP  48           HB3      TRP  48 -16.501  -1.560 -12.305
  375    HD1  TRP  48           HD1      TRP  48 -13.124  -2.497 -11.997
  376    HE1  TRP  48           HE1      TRP  48 -12.202  -3.873 -13.873
  377    HE3  TRP  48           HE3      TRP  48 -17.550  -4.062 -14.082
  378    HZ2  TRP  48           HZ2      TRP  48 -13.196  -5.533 -16.012
  379    HZ3  TRP  48           HZ3      TRP  48 -17.488  -5.580 -16.048
  380    HH2  TRP  48           HH2      TRP  48 -15.328  -6.310 -17.017
  381    H    LYS  49           H        LYS  49 -13.046  -1.526  -9.607
  382    HA   LYS  49           HA       LYS  49 -12.756   1.330 -10.215
  383    HB2  LYS  49           HB2      LYS  49 -10.725  -0.720  -9.187
  384    HB3  LYS  49           HB3      LYS  49 -10.543   1.033  -9.166
  385    HG2  LYS  49           HG2      LYS  49 -12.470  -0.624  -7.497
  386    HG3  LYS  49           HG3      LYS  49 -10.990   0.179  -6.973
  387    HD2  LYS  49           HD2      LYS  49 -12.135   2.397  -7.727
  388    HD3  LYS  49           HD3      LYS  49 -13.638   1.431  -7.766
  389    HE2  LYS  49           HE2      LYS  49 -12.910   0.627  -5.395
  390    HE3  LYS  49           HE3      LYS  49 -11.732   1.944  -5.443
  391    HZ1  LYS  49           HZ1      LYS  49 -13.596   3.502  -5.655
  392    HZ2  LYS  49           HZ2      LYS  49 -14.665   2.267  -5.610
  393    HZ3  LYS  49           HZ3      LYS  49 -13.759   2.520  -4.294
  394    H    LYS  50           H        LYS  50 -13.291   0.484 -12.587
  395    HA   LYS  50           HA       LYS  50 -11.475  -1.249 -13.942
  396    HB2  LYS  50           HB2      LYS  50 -13.819  -0.863 -14.616
  397    HB3  LYS  50           HB3      LYS  50 -13.440   0.806 -15.063
  398    HG2  LYS  50           HG2      LYS  50 -11.958   0.081 -16.832
  399    HG3  LYS  50           HG3      LYS  50 -12.053  -1.608 -16.318
  400    HD2  LYS  50           HD2      LYS  50 -14.421   0.007 -17.369
  401    HD3  LYS  50           HD3      LYS  50 -13.393  -1.040 -18.360
  402    HE2  LYS  50           HE2      LYS  50 -13.956  -2.964 -16.829
  403    HE3  LYS  50           HE3      LYS  50 -15.117  -1.924 -16.001
  404    HZ1  LYS  50           HZ1      LYS  50 -16.194  -3.263 -17.678
  405    HZ2  LYS  50           HZ2      LYS  50 -16.290  -1.699 -18.147
  406    HZ3  LYS  50           HZ3      LYS  50 -15.221  -2.707 -18.861
  407    H    LYS  51           H        LYS  51  -9.486  -0.890 -14.678
  408    HA   LYS  51           HA       LYS  51  -8.398   1.866 -14.759
  409    HB2  LYS  51           HB2      LYS  51  -7.185  -0.912 -15.038
  410    HB3  LYS  51           HB3      LYS  51  -6.235   0.577 -15.182
  411    HG2  LYS  51           HG2      LYS  51  -6.501   1.171 -12.941
  412    HG3  LYS  51           HG3      LYS  51  -7.999   0.263 -12.775
  413    HD2  LYS  51           HD2      LYS  51  -6.646  -1.888 -12.976
  414    HD3  LYS  51           HD3      LYS  51  -5.198  -0.882 -12.822
  415    HE2  LYS  51           HE2      LYS  51  -5.811  -1.787 -10.645
  416    HE3  LYS  51           HE3      LYS  51  -6.035  -0.037 -10.630
  417    HZ1  LYS  51           HZ1      LYS  51  -8.214  -2.028 -11.024
  418    HZ2  LYS  51           HZ2      LYS  51  -7.907  -1.236  -9.614
  419    HZ3  LYS  51           HZ3      LYS  51  -8.450  -0.444 -10.958
  420    H    SER  52           H        SER  52  -9.660  -0.513 -17.001
  421    HA   SER  52           HA       SER  52  -8.250   0.168 -19.334
  422    HB2  SER  52           HB2      SER  52 -11.152  -0.714 -19.174
  423    HB3  SER  52           HB3      SER  52  -9.975  -1.063 -20.448
  424    HG   SER  52           HG       SER  52  -8.883  -2.413 -19.016
  425    H    ARG  53           H        ARG  53  -8.135   2.143 -20.254
  426    HA   ARG  53           HA       ARG  53 -10.484   3.588 -21.070
  427    HB2  ARG  53           HB2      ARG  53  -9.751   4.323 -18.555
  428    HB3  ARG  53           HB3      ARG  53  -8.577   5.285 -19.439
  429    HG2  ARG  53           HG2      ARG  53 -10.501   6.316 -20.741
  430    HG3  ARG  53           HG3      ARG  53 -11.602   5.330 -19.772
  431    HD2  ARG  53           HD2      ARG  53 -11.606   7.434 -18.755
  432    HD3  ARG  53           HD3      ARG  53 -10.602   6.421 -17.703
  433    HE   ARG  53           HE       ARG  53  -8.740   7.605 -19.330
  434   HH11  ARG  53          HH21      ARG  53 -11.243   8.829 -17.115
  435   HH12  ARG  53          HH22      ARG  53 -10.580  10.433 -17.061
  436   HH21  ARG  53          HH11      ARG  53  -7.789   9.616 -19.121
  437   HH22  ARG  53          HH12      ARG  53  -8.521  10.884 -18.194
  438    H    LYS  54           H        LYS  54  -9.366   5.813 -22.143
  439    HA   LYS  54           HA       LYS  54  -7.318   4.988 -23.995
  440    HB2  LYS  54           HB2      LYS  54  -8.181   7.794 -23.145
  441    HB3  LYS  54           HB3      LYS  54  -7.200   7.419 -24.550
  442    HG2  LYS  54           HG2      LYS  54 -10.116   6.647 -24.111
  443    HG3  LYS  54           HG3      LYS  54  -9.502   7.878 -25.204
  444    HD2  LYS  54           HD2      LYS  54  -9.067   4.870 -25.471
  445    HD3  LYS  54           HD3      LYS  54 -10.174   5.868 -26.414
  446    HE2  LYS  54           HE2      LYS  54  -8.248   7.182 -27.296
  447    HE3  LYS  54           HE3      LYS  54  -7.134   6.150 -26.391
  448    HZ1  LYS  54           HZ1      LYS  54  -7.919   4.265 -27.709
  449    HZ2  LYS  54           HZ2      LYS  54  -8.944   5.225 -28.547
  450    HZ3  LYS  54           HZ3      LYS  54  -7.336   5.433 -28.682
  451    H    THR  55           H        THR  55  -7.117   5.781 -20.689
  452    HA   THR  55           HA       THR  55  -4.187   6.072 -20.727
  453    HB   THR  55           HB       THR  55  -4.588   7.769 -18.842
  454    HG1  THR  55           HG1      THR  55  -6.553   8.068 -18.303
  455   HG21  THR  55          HG21      THR  55  -4.912   9.682 -20.290
  456   HG22  THR  55          HG22      THR  55  -3.909   8.494 -21.140
  457   HG23  THR  55          HG23      THR  55  -5.628   8.674 -21.562
  458    H    SER  56           H        SER  56  -3.453   5.615 -18.295
  459    HA   SER  56           HA       SER  56  -4.620   3.149 -17.411
  460    HB2  SER  56           HB2      SER  56  -2.689   4.969 -15.924
  461    HB3  SER  56           HB3      SER  56  -2.884   3.217 -15.741
  462    HG   SER  56           HG       SER  56  -1.071   3.767 -17.037
  463    H    THR  57           H        THR  57  -5.913   6.197 -17.005
  464    HA   THR  57           HA       THR  57  -6.251   6.627 -14.317
  465    HB   THR  57           HB       THR  57  -8.298   7.303 -16.437
  466    HG1  THR  57           HG1      THR  57  -5.809   8.606 -16.039
  467   HG21  THR  57          HG21      THR  57  -8.823   8.167 -14.209
  468   HG22  THR  57          HG22      THR  57  -7.205   8.889 -14.075
  469   HG23  THR  57          HG23      THR  57  -8.361   9.496 -15.282
  470    H    ILE  58           H        ILE  58  -7.547   5.862 -12.731
  471    HA   ILE  58           HA       ILE  58  -9.241   3.577 -13.038
  472    HB   ILE  58           HB       ILE  58  -8.896   5.679 -10.879
  473   HG12  ILE  58          HG12      ILE  58  -6.992   3.998 -11.488
  474   HG13  ILE  58          HG13      ILE  58  -7.409   4.274  -9.800
  475   HG21  ILE  58          HG21      ILE  58 -11.105   4.850 -10.480
  476   HG22  ILE  58          HG22      ILE  58 -10.607   3.167 -10.717
  477   HG23  ILE  58          HG23      ILE  58 -10.046   4.084  -9.299
  478   HD11  ILE  58          HD11      ILE  58  -8.526   2.158  -9.642
  479   HD12  ILE  58          HD12      ILE  58  -8.493   1.950 -11.410
  480   HD13  ILE  58          HD13      ILE  58  -6.984   1.887 -10.464
  481    H    GLU  59           H        GLU  59 -11.384   3.429 -13.351
  482    HA   GLU  59           HA       GLU  59 -13.136   5.820 -13.295
  483    HB2  GLU  59           HB2      GLU  59 -13.141   3.480 -15.268
  484    HB3  GLU  59           HB3      GLU  59 -14.501   4.572 -15.054
  485    HG2  GLU  59           HG2      GLU  59 -11.710   5.359 -15.991
  486    HG3  GLU  59           HG3      GLU  59 -13.127   5.169 -17.014
  487    H    GLU  60           H        GLU  60 -15.230   5.238 -12.387
  488    HA   GLU  60           HA       GLU  60 -15.070   2.793 -10.666
  489    HB2  GLU  60           HB2      GLU  60 -15.820   5.651  -9.924
  490    HB3  GLU  60           HB3      GLU  60 -16.030   4.244  -8.882
  491    HG2  GLU  60           HG2      GLU  60 -13.548   3.800  -9.087
  492    HG3  GLU  60           HG3      GLU  60 -13.393   5.339  -9.937
  493    H    LYS  61           H        LYS  61 -16.559   1.496 -11.599
  494    HA   LYS  61           HA       LYS  61 -19.236   2.655 -12.326
  495    HB2  LYS  61           HB2      LYS  61 -17.964  -0.017 -13.054
  496    HB3  LYS  61           HB3      LYS  61 -19.594   0.498 -13.482
  497    HG2  LYS  61           HG2      LYS  61 -18.643   2.396 -14.798
  498    HG3  LYS  61           HG3      LYS  61 -17.014   1.873 -14.361
  499    HD2  LYS  61           HD2      LYS  61 -17.492   1.059 -16.588
  500    HD3  LYS  61           HD3      LYS  61 -17.388  -0.304 -15.470
  501    HE2  LYS  61           HE2      LYS  61 -19.216  -0.689 -17.002
  502    HE3  LYS  61           HE3      LYS  61 -19.852  -0.453 -15.377
  503    HZ1  LYS  61           HZ1      LYS  61 -20.417   1.828 -16.018
  504    HZ2  LYS  61           HZ2      LYS  61 -19.898   1.552 -17.558
  505    HZ3  LYS  61           HZ3      LYS  61 -21.174   0.715 -16.930
  506    H    THR  62           H        THR  62 -20.838   2.347 -10.795
  507    HA   THR  62           HA       THR  62 -20.512   0.492  -8.607
  508    HB   THR  62           HB       THR  62 -23.099   1.757  -9.594
  509    HG1  THR  62           HG1      THR  62 -22.483   3.618  -8.753
  510   HG21  THR  62          HG21      THR  62 -23.639   1.799  -7.186
  511   HG22  THR  62          HG22      THR  62 -23.234   0.147  -7.678
  512   HG23  THR  62          HG23      THR  62 -22.039   1.126  -6.798
  513    H    VAL  63           H        VAL  63 -21.064  -1.620  -8.523
  514    HA   VAL  63           HA       VAL  63 -22.640  -2.790 -10.780
  515    HB   VAL  63           HB       VAL  63 -20.988  -4.584 -10.845
  516   HG11  VAL  63          HG11      VAL  63 -20.994  -2.831 -12.580
  517   HG12  VAL  63          HG12      VAL  63 -19.781  -1.921 -11.665
  518   HG13  VAL  63          HG13      VAL  63 -19.387  -3.517 -12.330
  519   HG21  VAL  63          HG21      VAL  63 -19.073  -2.751  -9.365
  520   HG22  VAL  63          HG22      VAL  63 -19.790  -4.239  -8.703
  521   HG23  VAL  63          HG23      VAL  63 -18.693  -4.329 -10.085
  522    H    GLU  64           H        GLU  64 -23.547  -4.844 -10.395
  523    HA   GLU  64           HA       GLU  64 -23.773  -5.645  -7.524
  524    HB2  GLU  64           HB2      GLU  64 -25.910  -4.984  -8.627
  525    HB3  GLU  64           HB3      GLU  64 -25.672  -6.261  -9.824
  526    HG2  GLU  64           HG2      GLU  64 -25.721  -7.955  -8.003
  527    HG3  GLU  64           HG3      GLU  64 -25.860  -6.666  -6.807
  528    H    VAL  65           H        VAL  65 -22.603  -7.440  -7.097
  529    HA   VAL  65           HA       VAL  65 -21.343  -8.921  -9.330
  530    HB   VAL  65           HB       VAL  65 -20.759  -9.049  -6.338
  531   HG11  VAL  65          HG11      VAL  65 -18.594 -10.011  -7.182
  532   HG12  VAL  65          HG12      VAL  65 -19.984 -11.002  -7.643
  533   HG13  VAL  65          HG13      VAL  65 -19.235  -9.916  -8.835
  534   HG21  VAL  65          HG21      VAL  65 -19.415  -7.353  -8.494
  535   HG22  VAL  65          HG22      VAL  65 -20.271  -6.755  -7.055
  536   HG23  VAL  65          HG23      VAL  65 -18.759  -7.637  -6.865
  537    H    LEU  66           H        LEU  66 -22.373 -10.716  -9.971
  538    HA   LEU  66           HA       LEU  66 -24.758 -11.533  -8.500
  539    HB2  LEU  66           HB2      LEU  66 -23.639 -12.623 -11.103
  540    HB3  LEU  66           HB3      LEU  66 -25.265 -12.848 -10.473
  541    HG   LEU  66           HG       LEU  66 -24.038 -10.248 -11.492
  542   HD11  LEU  66          HD11      LEU  66 -26.352 -11.940 -12.521
  543   HD12  LEU  66          HD12      LEU  66 -25.745 -10.432 -13.237
  544   HD13  LEU  66          HD13      LEU  66 -24.719 -11.877 -13.214
  545   HD21  LEU  66          HD21      LEU  66 -25.515  -9.669  -9.632
  546   HD22  LEU  66          HD22      LEU  66 -26.286  -9.240 -11.156
  547   HD23  LEU  66          HD23      LEU  66 -26.805 -10.703 -10.289
  548    H    GLY  67           H        GLY  67 -21.515 -12.885  -9.051
  549    HA2  GLY  67           HA2      GLY  67 -21.374 -14.740  -7.064
  550    HA3  GLY  67           HA3      GLY  67 -22.198 -15.597  -8.389
  551    H    MET  68           H        MET  68 -19.853 -16.662  -7.946
  552    HA   MET  68           HA       MET  68 -17.641 -15.420  -9.362
  553    HB2  MET  68           HB2      MET  68 -18.079 -18.321  -8.574
  554    HB3  MET  68           HB3      MET  68 -16.637 -17.669  -9.356
  555    HG2  MET  68           HG2      MET  68 -16.864 -15.902  -7.290
  556    HG3  MET  68           HG3      MET  68 -17.585 -17.329  -6.556
  557    HE1  MET  68           HE1      MET  68 -14.548 -16.865  -9.147
  558    HE2  MET  68           HE2      MET  68 -14.456 -15.551  -7.953
  559    HE3  MET  68           HE3      MET  68 -13.212 -16.818  -7.987
  560    H    ALA  69           H        ALA  69 -16.775 -16.029 -11.351
  561    HA   ALA  69           HA       ALA  69 -18.648 -16.317 -13.527
  562    HB1  ALA  69           HB1      ALA  69 -15.614 -16.479 -13.432
  563    HB2  ALA  69           HB2      ALA  69 -16.585 -16.125 -14.867
  564    HB3  ALA  69           HB3      ALA  69 -16.550 -14.963 -13.551
  565    HA   PRO  70           HA       PRO  70 -18.533 -20.717 -14.470
  566    HB2  PRO  70           HB2      PRO  70 -16.908 -20.011 -16.915
  567    HB3  PRO  70           HB3      PRO  70 -18.267 -21.169 -16.762
  568    HG2  PRO  70           HG2      PRO  70 -18.735 -18.705 -17.761
  569    HG3  PRO  70           HG3      PRO  70 -19.858 -19.385 -16.536
  570    HD2  PRO  70           HD2      PRO  70 -17.620 -17.406 -16.156
  571    HD3  PRO  70           HD3      PRO  70 -19.270 -17.372 -15.462
  572    H    ASP  71           H        ASP  71 -17.282 -22.516 -14.313
  573    HA   ASP  71           HA       ASP  71 -14.978 -22.491 -12.756
  574    HB2  ASP  71           HB2      ASP  71 -16.570 -24.376 -13.091
  575    HB3  ASP  71           HB3      ASP  71 -15.953 -24.598 -14.730
  576    H    ASP  72           H        ASP  72 -15.317 -22.487 -16.275
  577    HA   ASP  72           HA       ASP  72 -12.561 -23.100 -16.898
  578    HB2  ASP  72           HB2      ASP  72 -14.411 -23.539 -18.457
  579    HB3  ASP  72           HB3      ASP  72 -14.751 -21.809 -18.567
  580    H    GLU  73           H        GLU  73 -14.279 -20.091 -16.155
  581    HA   GLU  73           HA       GLU  73 -12.117 -18.351 -17.125
  582    HB2  GLU  73           HB2      GLU  73 -14.388 -17.770 -15.172
  583    HB3  GLU  73           HB3      GLU  73 -13.287 -16.592 -15.861
  584    HG2  GLU  73           HG2      GLU  73 -15.377 -18.227 -17.340
  585    HG3  GLU  73           HG3      GLU  73 -15.422 -16.503 -17.004
  586    H    CYS  74           H        CYS  74 -13.361 -19.644 -14.043
  587    HA   CYS  74           HA       CYS  74 -11.352 -18.486 -12.415
  588    HB2  CYS  74           HB2      CYS  74 -13.298 -20.737 -11.803
  589    HB3  CYS  74           HB3      CYS  74 -12.397 -19.762 -10.626
  590    HG   CYS  74           HG       CYS  74 -14.795 -18.963 -12.743
  591    H    LEU  75           H        LEU  75 -10.656 -20.758 -14.559
  592    HA   LEU  75           HA       LEU  75  -9.268 -22.780 -13.061
  593    HB2  LEU  75           HB2      LEU  75 -10.125 -22.381 -15.728
  594    HB3  LEU  75           HB3      LEU  75  -8.386 -22.304 -15.846
  595    HG   LEU  75           HG       LEU  75  -9.085 -24.505 -16.323
  596   HD11  LEU  75          HD11      LEU  75  -8.004 -24.639 -13.478
  597   HD12  LEU  75          HD12      LEU  75  -7.916 -25.900 -14.723
  598   HD13  LEU  75          HD13      LEU  75  -7.035 -24.381 -14.946
  599   HD21  LEU  75          HD21      LEU  75 -10.580 -24.596 -13.682
  600   HD22  LEU  75          HD22      LEU  75 -11.304 -24.481 -15.291
  601   HD23  LEU  75          HD23      LEU  75 -10.406 -25.933 -14.833
  602    H    LYS  76           H        LYS  76  -8.496 -19.503 -13.750
  603    HA   LYS  76           HA       LYS  76  -5.605 -19.968 -13.222
  604    HB2  LYS  76           HB2      LYS  76  -4.935 -18.786 -15.196
  605    HB3  LYS  76           HB3      LYS  76  -6.041 -20.066 -15.672
  606    HG2  LYS  76           HG2      LYS  76  -7.855 -18.052 -15.478
  607    HG3  LYS  76           HG3      LYS  76  -6.411 -17.070 -15.687
  608    HD2  LYS  76           HD2      LYS  76  -7.245 -17.361 -17.880
  609    HD3  LYS  76           HD3      LYS  76  -5.907 -18.503 -17.766
  610    HE2  LYS  76           HE2      LYS  76  -7.688 -19.687 -18.826
  611    HE3  LYS  76           HE3      LYS  76  -7.612 -20.312 -17.179
  612    HZ1  LYS  76           HZ1      LYS  76  -9.491 -18.762 -16.649
  613    HZ2  LYS  76           HZ2      LYS  76  -9.560 -18.346 -18.239
  614    HZ3  LYS  76           HZ3      LYS  76  -9.895 -19.878 -17.769
  615    H    ASP  77           H        ASP  77  -8.380 -17.807 -13.041
  616    HA   ASP  77           HA       ASP  77  -6.953 -15.995 -11.249
  617    HB2  ASP  77           HB2      ASP  77  -6.329 -15.061 -13.440
  618    HB3  ASP  77           HB3      ASP  77  -8.009 -15.108 -13.967
  619    H    MET  78           H        MET  78  -8.615 -14.571 -10.184
  620    HA   MET  78           HA       MET  78 -11.124 -16.137  -9.948
  621    HB2  MET  78           HB2      MET  78  -9.994 -13.862  -8.275
  622    HB3  MET  78           HB3      MET  78 -11.529 -14.676  -7.969
  623    HG2  MET  78           HG2      MET  78  -8.782 -15.989  -7.918
  624    HG3  MET  78           HG3      MET  78  -9.747 -15.519  -6.531
  625    HE1  MET  78           HE1      MET  78  -9.975 -19.462  -8.802
  626    HE2  MET  78           HE2      MET  78  -9.761 -17.973  -9.733
  627    HE3  MET  78           HE3      MET  78  -8.571 -18.420  -8.488
  628    H    TYR  79           H        TYR  79 -12.879 -15.573 -11.077
  629    HA   TYR  79           HA       TYR  79 -13.245 -12.746 -11.953
  630    HB2  TYR  79           HB2      TYR  79 -13.701 -15.375 -13.406
  631    HB3  TYR  79           HB3      TYR  79 -14.411 -13.860 -13.926
  632    HD1  TYR  79           HD1      TYR  79 -12.958 -11.977 -14.731
  633    HD2  TYR  79           HD2      TYR  79 -11.468 -15.964 -14.032
  634    HE1  TYR  79           HE1      TYR  79 -11.089 -11.541 -16.285
  635    HE2  TYR  79           HE2      TYR  79  -9.606 -15.550 -15.598
  636    HH   TYR  79           HH       TYR  79  -9.179 -12.416 -17.314
  637    H    VAL  80           H        VAL  80 -15.432 -12.053 -12.049
  638    HA   VAL  80           HA       VAL  80 -17.480 -13.836 -10.811
  639    HB   VAL  80           HB       VAL  80 -18.249 -11.818  -9.570
  640   HG11  VAL  80          HG11      VAL  80 -16.975 -13.576  -8.424
  641   HG12  VAL  80          HG12      VAL  80 -15.451 -12.754  -8.817
  642   HG13  VAL  80          HG13      VAL  80 -16.641 -11.989  -7.742
  643   HG21  VAL  80          HG21      VAL  80 -16.705  -9.957  -9.123
  644   HG22  VAL  80          HG22      VAL  80 -15.514 -10.625 -10.249
  645   HG23  VAL  80          HG23      VAL  80 -17.081 -10.034 -10.847
  646    H    GLU  81           H        GLU  81 -19.618 -13.457 -11.448
  647    HA   GLU  81           HA       GLU  81 -19.995 -12.099 -14.059
  648    HB2  GLU  81           HB2      GLU  81 -21.890 -13.612 -12.199
  649    HB3  GLU  81           HB3      GLU  81 -22.373 -12.820 -13.711
  650    HG2  GLU  81           HG2      GLU  81 -20.687 -14.276 -14.917
  651    HG3  GLU  81           HG3      GLU  81 -20.449 -15.150 -13.401
  652    H    VAL  82           H        VAL  82 -21.107 -10.136 -14.231
  653    HA   VAL  82           HA       VAL  82 -21.795  -8.747 -11.714
  654    HB   VAL  82           HB       VAL  82 -19.352  -8.565 -12.090
  655   HG11  VAL  82          HG11      VAL  82 -19.160  -8.751 -14.509
  656   HG12  VAL  82          HG12      VAL  82 -20.043  -7.223 -14.741
  657   HG13  VAL  82          HG13      VAL  82 -18.461  -7.223 -13.975
  658   HG21  VAL  82          HG21      VAL  82 -20.757  -5.948 -12.593
  659   HG22  VAL  82          HG22      VAL  82 -20.563  -6.762 -11.012
  660   HG23  VAL  82          HG23      VAL  82 -19.137  -6.188 -11.896
  661    H    ALA  83           H        ALA  83 -23.302  -7.134 -11.990
  662    HA   ALA  83           HA       ALA  83 -24.276  -6.605 -14.772
  663    HB1  ALA  83           HB1      ALA  83 -26.479  -6.244 -13.833
  664    HB2  ALA  83           HB2      ALA  83 -25.905  -7.859 -13.373
  665    HB3  ALA  83           HB3      ALA  83 -25.874  -6.538 -12.183
  666    H    ASP  84           H        ASP  84 -24.407  -4.487 -15.364
  667    HA   ASP  84           HA       ASP  84 -22.829  -2.621 -13.745
  668    HB2  ASP  84           HB2      ASP  84 -22.304  -2.964 -16.100
  669    HB3  ASP  84           HB3      ASP  84 -23.934  -2.432 -16.553
  670    H    ILE  85           H        ILE  85 -24.713  -2.694 -12.144
  671    HA   ILE  85           HA       ILE  85 -27.109  -1.293 -12.651
  672    HB   ILE  85           HB       ILE  85 -27.351  -1.041 -10.266
  673   HG12  ILE  85          HG12      ILE  85 -24.511  -2.053  -9.956
  674   HG13  ILE  85          HG13      ILE  85 -25.009  -0.384  -9.696
  675   HG21  ILE  85          HG21      ILE  85 -27.724  -3.240 -11.442
  676   HG22  ILE  85          HG22      ILE  85 -26.122  -3.764 -10.878
  677   HG23  ILE  85          HG23      ILE  85 -27.410  -3.384  -9.715
  678   HD11  ILE  85          HD11      ILE  85 -26.505  -1.101  -7.857
  679   HD12  ILE  85          HD12      ILE  85 -25.948  -2.777  -8.065
  680   HD13  ILE  85          HD13      ILE  85 -24.808  -1.534  -7.561
  681    H    GLY  86           H        GLY  86 -23.905   0.033 -12.316
  682    HA2  GLY  86           HA2      GLY  86 -24.775   2.767 -11.786
  683    HA3  GLY  86           HA3      GLY  86 -23.142   2.178 -12.130
  684    H    GLY  87           H        GLY  87 -24.830   0.812 -14.611
  685    HA2  GLY  87           HA2      GLY  87 -24.979   3.215 -16.354
  686    HA3  GLY  87           HA3      GLY  87 -23.809   1.948 -16.734
  687    H    LYS  88           H        LYS  88 -24.552  -0.089 -17.494
  688    HA   LYS  88           HA       LYS  88 -26.811   0.133 -19.192
  689    HB2  LYS  88           HB2      LYS  88 -25.488  -2.463 -18.287
  690    HB3  LYS  88           HB3      LYS  88 -26.486  -2.235 -19.721
  691    HG2  LYS  88           HG2      LYS  88 -23.752  -1.016 -19.255
  692    HG3  LYS  88           HG3      LYS  88 -24.153  -2.390 -20.283
  693    HD2  LYS  88           HD2      LYS  88 -25.612  -0.888 -21.689
  694    HD3  LYS  88           HD3      LYS  88 -25.120   0.476 -20.666
  695    HE2  LYS  88           HE2      LYS  88 -23.674   0.593 -22.504
  696    HE3  LYS  88           HE3      LYS  88 -22.728  -0.096 -21.172
  697    HZ1  LYS  88           HZ1      LYS  88 -22.339  -1.287 -23.234
  698    HZ2  LYS  88           HZ2      LYS  88 -23.076  -2.295 -22.178
  699    HZ3  LYS  88           HZ3      LYS  88 -23.921  -1.626 -23.415
  700    H    ASP  89           H        ASP  89 -26.558  -1.297 -16.011
  701    HA   ASP  89           HA       ASP  89 -27.874  -2.151 -14.499
  702    HB2  ASP  89           HB2      ASP  89 -28.806   0.088 -14.569
  703    HB3  ASP  89           HB3      ASP  89 -29.964  -0.398 -15.810
  704    H    ASP  90           H        ASP  90 -29.159  -2.713 -17.693
  705    HA   ASP  90           HA       ASP  90 -30.815  -4.982 -16.730
  706    HB2  ASP  90           HB2      ASP  90 -31.842  -3.028 -17.918
  707    HB3  ASP  90           HB3      ASP  90 -30.833  -3.403 -19.318
  708    H    ASP  91           H        ASP  91 -27.755  -4.743 -17.612
  709    HA   ASP  91           HA       ASP  91 -27.778  -7.295 -19.105
  710    HB2  ASP  91           HB2      ASP  91 -27.463  -5.288 -20.695
  711    HB3  ASP  91           HB3      ASP  91 -25.880  -5.096 -19.926
  712    H    VAL  92           H        VAL  92 -25.635  -8.307 -19.131
  713    HA   VAL  92           HA       VAL  92 -24.216  -7.964 -16.538
  714    HB   VAL  92           HB       VAL  92 -25.348 -10.511 -17.768
  715   HG11  VAL  92          HG11      VAL  92 -24.019 -10.158 -15.055
  716   HG12  VAL  92          HG12      VAL  92 -24.760 -11.643 -15.682
  717   HG13  VAL  92          HG13      VAL  92 -23.316 -11.003 -16.452
  718   HG21  VAL  92          HG21      VAL  92 -26.320  -8.921 -15.366
  719   HG22  VAL  92          HG22      VAL  92 -27.209  -9.240 -16.869
  720   HG23  VAL  92          HG23      VAL  92 -26.860 -10.566 -15.766
  721    H    TYR  93           H        TYR  93 -22.113  -8.652 -16.518
  722    HA   TYR  93           HA       TYR  93 -20.751  -9.609 -18.969
  723    HB2  TYR  93           HB2      TYR  93 -19.900  -7.226 -17.259
  724    HB3  TYR  93           HB3      TYR  93 -19.025  -7.872 -18.637
  725    HD1  TYR  93           HD2      TYR  93 -19.988  -7.698 -20.959
  726    HD2  TYR  93           HD1      TYR  93 -21.726  -5.662 -17.572
  727    HE1  TYR  93           HE2      TYR  93 -21.218  -6.207 -22.497
  728    HE2  TYR  93           HE1      TYR  93 -22.971  -4.172 -19.099
  729    HH   TYR  93           HH       TYR  93 -22.741  -4.505 -22.688
  730    H    THR  94           H        THR  94 -18.180  -9.574 -17.930
  731    HA   THR  94           HA       THR  94 -18.281 -10.965 -15.310
  732    HB   THR  94           HB       THR  94 -16.516 -11.679 -17.689
  733    HG1  THR  94           HG1      THR  94 -18.647 -12.362 -17.963
  734   HG21  THR  94          HG21      THR  94 -16.798 -13.017 -14.963
  735   HG22  THR  94          HG22      THR  94 -15.885 -13.668 -16.341
  736   HG23  THR  94          HG23      THR  94 -15.364 -12.165 -15.576
  737    H    ALA  95           H        ALA  95 -16.570 -10.392 -13.951
  738    HA   ALA  95           HA       ALA  95 -14.660  -8.305 -14.895
  739    HB1  ALA  95           HB1      ALA  95 -16.276  -8.247 -12.307
  740    HB2  ALA  95           HB2      ALA  95 -14.886  -7.193 -12.656
  741    HB3  ALA  95           HB3      ALA  95 -16.338  -7.072 -13.642
  742    H    LYS  96           H        LYS  96 -12.726  -8.232 -13.717
  743    HA   LYS  96           HA       LYS  96 -11.761 -10.794 -12.628
  744    HB2  LYS  96           HB2      LYS  96 -10.478  -8.027 -12.664
  745    HB3  LYS  96           HB3      LYS  96  -9.654  -9.538 -12.349
  746    HG2  LYS  96           HG2      LYS  96  -9.510 -10.124 -14.566
  747    HG3  LYS  96           HG3      LYS  96 -11.016  -9.354 -15.035
  748    HD2  LYS  96           HD2      LYS  96  -8.466  -7.845 -14.373
  749    HD3  LYS  96           HD3      LYS  96  -9.010  -8.258 -16.007
  750    HE2  LYS  96           HE2      LYS  96 -11.058  -6.892 -15.732
  751    HE3  LYS  96           HE3      LYS  96 -10.638  -6.561 -14.058
  752    HZ1  LYS  96           HZ1      LYS  96  -8.511  -5.555 -15.057
  753    HZ2  LYS  96           HZ2      LYS  96  -9.357  -5.475 -16.456
  754    HZ3  LYS  96           HZ3      LYS  96  -9.892  -4.704 -15.090
  755    H    LEU  97           H        LEU  97 -11.942 -11.229 -10.381
  756    HA   LEU  97           HA       LEU  97 -13.376  -9.409  -8.683
  757    HB2  LEU  97           HB2      LEU  97 -13.248 -11.850  -8.277
  758    HB3  LEU  97           HB3      LEU  97 -11.514 -11.712  -7.961
  759    HG   LEU  97           HG       LEU  97 -11.947 -10.314  -5.972
  760   HD11  LEU  97          HD11      LEU  97 -14.314 -10.097  -5.121
  761   HD12  LEU  97          HD12      LEU  97 -14.016  -9.147  -6.567
  762   HD13  LEU  97          HD13      LEU  97 -14.898 -10.687  -6.686
  763   HD21  LEU  97          HD21      LEU  97 -13.644 -12.832  -5.989
  764   HD22  LEU  97          HD22      LEU  97 -11.870 -12.790  -5.817
  765   HD23  LEU  97          HD23      LEU  97 -12.889 -12.064  -4.573
  766    H    SER  98           H        SER  98  -9.947  -9.973  -9.335
  767    HA   SER  98           HA       SER  98  -8.614  -8.417  -7.533
  768    HB2  SER  98           HB2      SER  98  -8.033  -8.603 -10.507
  769    HB3  SER  98           HB3      SER  98  -6.870  -8.501  -9.176
  770    HG   SER  98           HG       SER  98  -7.269 -10.664 -10.108
  771    H    ASP  99           H        ASP  99 -10.855  -7.180  -9.939
  772    HA   ASP  99           HA       ASP  99  -9.560  -4.510  -9.858
  773    HB2  ASP  99           HB2      ASP  99  -9.677  -5.935 -12.020
  774    HB3  ASP  99           HB3      ASP  99 -11.398  -5.546 -12.036
  775    H    ILE 100           H        ILE 100 -11.759  -5.941  -8.205
  776    HA   ILE 100           HA       ILE 100 -13.749  -3.719  -8.257
  777    HB   ILE 100           HB       ILE 100 -14.042  -6.680  -8.222
  778   HG12  ILE 100          HG12      ILE 100 -15.888  -4.412  -9.074
  779   HG13  ILE 100          HG13      ILE 100 -14.647  -5.141 -10.115
  780   HG21  ILE 100          HG21      ILE 100 -16.074  -5.060  -6.647
  781   HG22  ILE 100          HG22      ILE 100 -16.156  -6.786  -7.052
  782   HG23  ILE 100          HG23      ILE 100 -14.919  -6.227  -5.952
  783   HD11  ILE 100          HD11      ILE 100 -15.851  -7.347  -9.852
  784   HD12  ILE 100          HD12      ILE 100 -17.158  -6.448  -9.030
  785   HD13  ILE 100          HD13      ILE 100 -16.757  -6.079 -10.713
  786    H    GLU 101           H        GLU 101 -14.587  -3.068  -6.386
  787    HA   GLU 101           HA       GLU 101 -13.229  -3.785  -3.824
  788    HB2  GLU 101           HB2      GLU 101 -12.652  -1.503  -4.472
  789    HB3  GLU 101           HB3      GLU 101 -14.352  -1.110  -4.781
  790    HG2  GLU 101           HG2      GLU 101 -14.902  -1.336  -2.419
  791    HG3  GLU 101           HG3      GLU 101 -13.302  -1.985  -2.060
  792    H    ALA 102           H        ALA 102 -14.653  -4.900  -2.561
  793    HA   ALA 102           HA       ALA 102 -17.465  -5.106  -3.339
  794    HB1  ALA 102           HB1      ALA 102 -16.155  -7.039  -2.478
  795    HB2  ALA 102           HB2      ALA 102 -16.005  -6.229  -0.901
  796    HB3  ALA 102           HB3      ALA 102 -17.605  -6.707  -1.511
  797    H    ILE 103           H        ILE 103 -19.168  -4.167  -2.336
  798    HA   ILE 103           HA       ILE 103 -18.702  -2.324  -0.028
  799    HB   ILE 103           HB       ILE 103 -20.148  -1.915  -2.655
  800   HG12  ILE 103          HG12      ILE 103 -17.988  -0.254  -1.271
  801   HG13  ILE 103          HG13      ILE 103 -17.671  -1.446  -2.531
  802   HG21  ILE 103          HG21      ILE 103 -21.653  -1.049  -0.903
  803   HG22  ILE 103          HG22      ILE 103 -20.324  -0.073  -0.233
  804   HG23  ILE 103          HG23      ILE 103 -20.987   0.256  -1.851
  805   HD11  ILE 103          HD11      ILE 103 -19.111  -0.184  -4.100
  806   HD12  ILE 103          HD12      ILE 103 -19.234   1.118  -2.884
  807   HD13  ILE 103          HD13      ILE 103 -17.655   0.683  -3.550
  808    H    ASP 104           H        ASP 104 -20.235  -2.335   1.529
  809    HA   ASP 104           HA       ASP 104 -21.941  -2.989   2.805
  810    HB2  ASP 104           HB2      ASP 104 -23.026  -1.445   1.216
  811    HB3  ASP 104           HB3      ASP 104 -23.523  -2.816   0.224
  812    H    VAL 105           H        VAL 105 -20.350  -5.171   1.941
  813    HA   VAL 105           HA       VAL 105 -22.339  -7.379   1.819
  814    HB   VAL 105           HB       VAL 105 -20.599  -7.045  -0.010
  815   HG11  VAL 105          HG11      VAL 105 -18.691  -8.244   2.012
  816   HG12  VAL 105          HG12      VAL 105 -18.389  -7.999   0.287
  817   HG13  VAL 105          HG13      VAL 105 -18.603  -6.600   1.349
  818   HG21  VAL 105          HG21      VAL 105 -21.996  -9.053   0.326
  819   HG22  VAL 105          HG22      VAL 105 -20.428  -9.353  -0.432
  820   HG23  VAL 105          HG23      VAL 105 -20.693  -9.777   1.271
  821    H    ASP 106           H        ASP 106 -21.518  -9.452   2.958
  822    HA   ASP 106           HA       ASP 106 -21.347  -8.910   5.773
  823    HB2  ASP 106           HB2      ASP 106 -22.467 -10.905   4.820
  824    HB3  ASP 106           HB3      ASP 106 -20.898 -11.480   4.224
  825    H    ASP 107           H        ASP 107 -19.683  -9.513   7.180
  826    HA   ASP 107           HA       ASP 107 -17.113  -8.525   6.549
  827    HB2  ASP 107           HB2      ASP 107 -18.007  -8.606   8.823
  828    HB3  ASP 107           HB3      ASP 107 -18.023 -10.371   8.787
  829    H    ASP 108           H        ASP 108 -18.290 -11.962   6.545
  830    HA   ASP 108           HA       ASP 108 -15.578 -12.934   6.242
  831    HB2  ASP 108           HB2      ASP 108 -17.619 -14.175   7.228
  832    HB3  ASP 108           HB3      ASP 108 -18.085 -14.487   5.547
  833    H    THR 109           H        THR 109 -18.069 -11.819   4.050
  834    HA   THR 109           HA       THR 109 -16.921 -12.991   1.607
  835    HB   THR 109           HB       THR 109 -18.935 -10.731   2.057
  836    HG1  THR 109           HG1      THR 109 -19.467 -12.971   2.690
  837   HG21  THR 109          HG21      THR 109 -17.926 -12.125  -0.408
  838   HG22  THR 109          HG22      THR 109 -19.549 -11.434  -0.371
  839   HG23  THR 109          HG23      THR 109 -18.123 -10.396  -0.136
  840    H    GLN 110           H        GLN 110 -17.005  -9.745   3.235
  841    HA   GLN 110           HA       GLN 110 -15.323  -8.470   1.391
  842    HB2  GLN 110           HB2      GLN 110 -16.776  -7.593   3.436
  843    HB3  GLN 110           HB3      GLN 110 -15.270  -7.737   4.334
  844    HG2  GLN 110           HG2      GLN 110 -15.758  -6.098   1.801
  845    HG3  GLN 110           HG3      GLN 110 -15.660  -5.459   3.434
  846   HE21  GLN 110          HE22      GLN 110 -13.847  -6.089   0.609
  847   HE22  GLN 110          HE21      GLN 110 -12.250  -5.968   1.298
  848    H    GLU 111           H        GLU 111 -14.457 -10.224   4.441
  849    HA   GLU 111           HA       GLU 111 -11.669  -9.762   4.251
  850    HB2  GLU 111           HB2      GLU 111 -13.334 -11.918   5.598
  851    HB3  GLU 111           HB3      GLU 111 -11.581 -11.874   5.736
  852    HG2  GLU 111           HG2      GLU 111 -13.352  -9.513   6.524
  853    HG3  GLU 111           HG3      GLU 111 -12.861 -10.787   7.634
  854    H    ALA 112           H        ALA 112 -13.681 -12.378   2.772
  855    HA   ALA 112           HA       ALA 112 -11.421 -13.930   1.908
  856    HB1  ALA 112           HB1      ALA 112 -14.202 -13.739   0.658
  857    HB2  ALA 112           HB2      ALA 112 -13.002 -15.019   0.384
  858    HB3  ALA 112           HB3      ALA 112 -13.728 -14.827   1.986
  859    H    ILE 113           H        ILE 113 -13.298 -11.286   0.378
  860    HA   ILE 113           HA       ILE 113 -11.869 -11.344  -2.111
  861    HB   ILE 113           HB       ILE 113 -13.560  -9.209  -0.747
  862   HG12  ILE 113          HG12      ILE 113 -14.271 -11.104  -3.039
  863   HG13  ILE 113          HG13      ILE 113 -14.643 -11.457  -1.370
  864   HG21  ILE 113          HG21      ILE 113 -13.756  -8.160  -3.015
  865   HG22  ILE 113          HG22      ILE 113 -12.116  -8.100  -2.390
  866   HG23  ILE 113          HG23      ILE 113 -12.538  -9.303  -3.622
  867   HD11  ILE 113          HD11      ILE 113 -15.770  -9.188  -3.015
  868   HD12  ILE 113          HD12      ILE 113 -16.612 -10.573  -2.308
  869   HD13  ILE 113          HD13      ILE 113 -15.962  -9.315  -1.242
  870    H    ALA 114           H        ALA 114 -11.476  -9.401   0.912
  871    HA   ALA 114           HA       ALA 114  -9.298  -7.822   0.028
  872    HB1  ALA 114           HB1      ALA 114  -9.896  -8.854   2.835
  873    HB2  ALA 114           HB2      ALA 114  -8.845  -7.489   2.414
  874    HB3  ALA 114           HB3      ALA 114 -10.587  -7.388   2.104
  875    H    ASP 115           H        ASP 115  -9.378 -11.086   1.542
  876    HA   ASP 115           HA       ASP 115  -6.532 -11.333   1.725
  877    HB2  ASP 115           HB2      ASP 115  -8.119 -12.707   3.036
  878    HB3  ASP 115           HB3      ASP 115  -8.593 -13.555   1.558
  879    H    TRP 116           H        TRP 116  -8.842 -12.178  -0.912
  880    HA   TRP 116           HA       TRP 116  -6.889 -13.402  -2.627
  881    HB2  TRP 116           HB2      TRP 116  -9.196 -13.666  -3.205
  882    HB3  TRP 116           HB3      TRP 116  -9.484 -11.931  -3.191
  883    HD1  TRP 116           HD1      TRP 116  -9.323 -10.715  -5.425
  884    HE1  TRP 116           HE1      TRP 116  -8.278 -11.144  -7.735
  885    HE3  TRP 116           HE3      TRP 116  -7.092 -15.228  -4.495
  886    HZ2  TRP 116           HZ2      TRP 116  -6.623 -13.134  -8.971
  887    HZ3  TRP 116           HZ3      TRP 116  -5.811 -16.383  -6.261
  888    HH2  TRP 116           HH2      TRP 116  -5.542 -15.331  -8.508
  889    H    LEU 117           H        LEU 117  -7.939  -9.972  -2.233
  890    HA   LEU 117           HA       LEU 117  -6.278  -8.951  -4.308
  891    HB2  LEU 117           HB2      LEU 117  -7.433  -7.675  -1.798
  892    HB3  LEU 117           HB3      LEU 117  -6.550  -6.756  -3.004
  893    HG   LEU 117           HG       LEU 117  -8.975  -8.428  -3.781
  894   HD11  LEU 117          HD11      LEU 117 -10.335  -6.376  -3.584
  895   HD12  LEU 117          HD12      LEU 117  -9.722  -6.920  -2.017
  896   HD13  LEU 117          HD13      LEU 117  -8.958  -5.534  -2.831
  897   HD21  LEU 117          HD21      LEU 117  -7.689  -5.972  -5.046
  898   HD22  LEU 117          HD22      LEU 117  -7.516  -7.641  -5.621
  899   HD23  LEU 117          HD23      LEU 117  -9.102  -6.856  -5.657
  900    H    TYR 118           H        TYR 118  -5.671  -9.277  -0.754
  901    HA   TYR 118           HA       TYR 118  -3.014  -8.237  -0.862
  902    HB2  TYR 118           HB2      TYR 118  -4.195 -10.251   1.086
  903    HB3  TYR 118           HB3      TYR 118  -2.709  -9.343   1.320
  904    HD1  TYR 118           HD2      TYR 118  -3.656  -6.560   0.406
  905    HD2  TYR 118           HD1      TYR 118  -5.435  -9.547   2.972
  906    HE1  TYR 118           HE2      TYR 118  -4.923  -4.799   1.567
  907    HE2  TYR 118           HE1      TYR 118  -6.705  -7.781   4.147
  908    HH   TYR 118           HH       TYR 118  -6.464  -4.306   3.247
  909    H    TRP 119           H        TRP 119  -4.255 -11.608  -1.280
  910    HA   TRP 119           HA       TRP 119  -1.693 -12.855  -1.472
  911    HB2  TRP 119           HB2      TRP 119  -3.519 -14.302  -1.255
  912    HB3  TRP 119           HB3      TRP 119  -4.476 -13.463  -2.463
  913    HD1  TRP 119           HD1      TRP 119  -4.362 -14.181  -4.895
  914    HE1  TRP 119           HE1      TRP 119  -3.199 -16.036  -6.200
  915    HE3  TRP 119           HE3      TRP 119  -1.149 -15.813  -1.253
  916    HZ2  TRP 119           HZ2      TRP 119  -1.104 -17.945  -5.741
  917    HZ3  TRP 119           HZ3      TRP 119   0.435 -17.659  -1.721
  918    HH2  TRP 119           HH2      TRP 119   0.479 -18.740  -3.960
  919    H    LEU 120           H        LEU 120  -3.758 -11.283  -3.994
  920    HA   LEU 120           HA       LEU 120  -2.058 -12.042  -6.123
  921    HB2  LEU 120           HB2      LEU 120  -4.417 -11.259  -6.368
  922    HB3  LEU 120           HB3      LEU 120  -3.913  -9.630  -5.904
  923    HG   LEU 120           HG       LEU 120  -2.415  -9.540  -7.919
  924   HD11  LEU 120          HD11      LEU 120  -3.731 -12.213  -8.607
  925   HD12  LEU 120          HD12      LEU 120  -2.748 -11.234  -9.719
  926   HD13  LEU 120          HD13      LEU 120  -2.003 -11.943  -8.287
  927   HD21  LEU 120          HD21      LEU 120  -5.326 -10.208  -8.473
  928   HD22  LEU 120          HD22      LEU 120  -4.692  -8.621  -7.979
  929   HD23  LEU 120          HD23      LEU 120  -4.243  -9.299  -9.554
  930    H    ALA 121           H        ALA 121  -2.165  -9.103  -4.089
  931    HA   ALA 121           HA       ALA 121   0.018  -7.727  -5.301
  932    HB1  ALA 121           HB1      ALA 121  -1.135  -7.695  -2.477
  933    HB2  ALA 121           HB2      ALA 121   0.025  -6.498  -3.106
  934    HB3  ALA 121           HB3      ALA 121  -1.600  -6.639  -3.820
  935    H    ARG 122           H        ARG 122  -0.104 -10.134  -2.633
  936    HA   ARG 122           HA       ARG 122   2.643 -10.049  -1.949
  937    HB2  ARG 122           HB2      ARG 122   0.837 -10.962  -0.600
  938    HB3  ARG 122           HB3      ARG 122   0.699 -12.362  -1.676
  939    HG2  ARG 122           HG2      ARG 122   2.794 -13.239  -0.993
  940    HG3  ARG 122           HG3      ARG 122   3.364 -11.664  -0.420
  941    HD2  ARG 122           HD2      ARG 122   2.905 -12.900   1.520
  942    HD3  ARG 122           HD3      ARG 122   1.634 -11.695   1.362
  943    HE   ARG 122           HE       ARG 122   1.446 -14.657   1.015
  944   HH11  ARG 122          HH21      ARG 122  -0.459 -11.633   0.952
  945   HH12  ARG 122          HH22      ARG 122  -1.939 -12.462   1.299
  946   HH21  ARG 122          HH12      ARG 122  -0.354 -15.657   1.374
  947   HH22  ARG 122          HH11      ARG 122  -1.919 -14.862   1.475
  948    H    GLY 123           H        GLY 123   1.000 -11.590  -4.668
  949    HA2  GLY 123           HA2      GLY 123   2.810 -11.652  -6.472
  950    HA3  GLY 123           HA3      GLY 123   3.507 -12.966  -5.519
  951    H    TYR 124           H        TYR 124   1.845 -12.511  -8.214
  952    HA   TYR 124           HA       TYR 124  -0.129 -14.656  -8.072
  953    HB2  TYR 124           HB2      TYR 124  -0.316 -12.727  -9.624
  954    HB3  TYR 124           HB3      TYR 124   1.150 -13.227 -10.437
  955    HD1  TYR 124           HD2      TYR 124  -2.365 -14.285  -9.644
  956    HD2  TYR 124           HD1      TYR 124   1.061 -14.835 -12.212
  957    HE1  TYR 124           HE2      TYR 124  -3.733 -15.682 -11.161
  958    HE2  TYR 124           HE1      TYR 124  -0.296 -16.246 -13.727
  959    HH   TYR 124           HH       TYR 124  -3.742 -17.024 -13.059
  960    H    LYS 125           H        LYS 125   1.343 -16.211  -7.011
  961    HA   LYS 125           HA       LYS 125   3.350 -17.442  -8.872
  962    HB2  LYS 125           HB2      LYS 125   3.348 -17.215  -5.837
  963    HB3  LYS 125           HB3      LYS 125   4.517 -18.142  -6.785
  964    HG2  LYS 125           HG2      LYS 125   5.239 -16.083  -7.958
  965    HG3  LYS 125           HG3      LYS 125   4.091 -15.127  -7.001
  966    HD2  LYS 125           HD2      LYS 125   5.245 -15.794  -4.918
  967    HD3  LYS 125           HD3      LYS 125   6.393 -16.770  -5.862
  968    HE2  LYS 125           HE2      LYS 125   7.125 -14.726  -7.076
  969    HE3  LYS 125           HE3      LYS 125   5.991 -13.753  -6.132
  970    HZ1  LYS 125           HZ1      LYS 125   8.222 -13.647  -5.222
  971    HZ2  LYS 125           HZ2      LYS 125   7.238 -14.359  -4.137
  972    HZ3  LYS 125           HZ3      LYS 125   8.285 -15.260  -5.013
  973    H    PHE 126           H        PHE 126   0.601 -18.073  -6.816
  974    HA   PHE 126           HA       PHE 126  -0.332 -19.961  -5.945
  975    HB2  PHE 126           HB2      PHE 126  -0.025 -20.748  -8.850
  976    HB3  PHE 126           HB3      PHE 126  -1.013 -21.603  -7.688
  977    HD1  PHE 126           HD2      PHE 126  -2.642 -19.847  -6.233
  978    HD2  PHE 126           HD1      PHE 126  -1.304 -19.418 -10.317
  979    HE1  PHE 126           HE2      PHE 126  -4.656 -18.510  -6.762
  980    HE2  PHE 126           HE1      PHE 126  -3.357 -18.152 -10.846
  981    HZ   PHE 126           HZ       PHE 126  -5.037 -17.683  -9.077
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   7.661  -3.367  -1.921
    2    H2   MET   1           H2       MET   1   6.928  -3.352  -0.460
    3    H3   MET   1           H3       MET   1   8.515  -2.940  -0.588
    4    HA   MET   1           HA       MET   1   9.094  -5.138  -1.283
    5    HB2  MET   1           HB2      MET   1   8.894  -6.308   0.783
    6    HB3  MET   1           HB3      MET   1   9.190  -4.619   1.146
    7    HG2  MET   1           HG2      MET   1   6.480  -6.015   1.310
    8    HG3  MET   1           HG3      MET   1   7.564  -5.724   2.656
    9    HE1  MET   1           HE1      MET   1   4.523  -3.391   3.439
   10    HE2  MET   1           HE2      MET   1   4.424  -4.929   2.556
   11    HE3  MET   1           HE3      MET   1   5.496  -4.782   3.968
   12    H    ALA   2           H        ALA   2   8.500  -7.279  -1.887
   13    HA   ALA   2           HA       ALA   2   5.946  -7.577  -3.140
   14    HB1  ALA   2           HB1      ALA   2   6.652  -9.908  -3.495
   15    HB2  ALA   2           HB2      ALA   2   7.970  -8.786  -3.882
   16    HB3  ALA   2           HB3      ALA   2   7.994  -9.700  -2.352
   17    H    SER   3           H        SER   3   7.163  -8.537   0.073
   18    HA   SER   3           HA       SER   3   4.952 -10.122   0.879
   19    HB2  SER   3           HB2      SER   3   6.925  -8.595   2.614
   20    HB3  SER   3           HB3      SER   3   5.998 -10.046   3.043
   21    HG   SER   3           HG       SER   3   8.159 -10.534   2.433
   22    H    VAL   4           H        VAL   4   3.400  -8.400  -0.139
   23    HA   VAL   4           HA       VAL   4   2.643  -6.090   1.339
   24    HB   VAL   4           HB       VAL   4   0.484  -6.337   0.112
   25   HG11  VAL   4          HG11      VAL   4   2.960  -6.669  -1.643
   26   HG12  VAL   4          HG12      VAL   4   1.415  -5.930  -2.107
   27   HG13  VAL   4          HG13      VAL   4   2.427  -5.158  -0.878
   28   HG21  VAL   4          HG21      VAL   4   0.189  -8.059  -1.572
   29   HG22  VAL   4          HG22      VAL   4   1.731  -8.821  -1.159
   30   HG23  VAL   4          HG23      VAL   4   0.386  -8.838  -0.002
   31    H    GLU   5           H        GLU   5   2.166  -9.502   1.981
   32    HA   GLU   5           HA       GLU   5   0.728  -8.775   4.468
   33    HB2  GLU   5           HB2      GLU   5  -0.404 -10.847   4.462
   34    HB3  GLU   5           HB3      GLU   5  -0.742 -10.080   2.919
   35    HG2  GLU   5           HG2      GLU   5   1.294 -12.328   3.344
   36    HG3  GLU   5           HG3      GLU   5  -0.367 -12.558   2.854
   37    H    ARG   6           H        ARG   6   1.533  -9.870   6.327
   38    HA   ARG   6           HA       ARG   6   4.085 -11.383   5.987
   39    HB2  ARG   6           HB2      ARG   6   3.545  -9.116   7.952
   40    HB3  ARG   6           HB3      ARG   6   4.973 -10.158   7.956
   41    HG2  ARG   6           HG2      ARG   6   5.576  -9.359   5.674
   42    HG3  ARG   6           HG3      ARG   6   4.166  -8.292   5.681
   43    HD2  ARG   6           HD2      ARG   6   6.096  -6.989   6.222
   44    HD3  ARG   6           HD3      ARG   6   5.064  -7.085   7.642
   45    HE   ARG   6           HE       ARG   6   7.658  -8.495   7.170
   46   HH11  ARG   6          HH11      ARG   6   5.174  -7.502   9.514
   47   HH12  ARG   6          HH12      ARG   6   6.097  -7.966  10.893
   48   HH21  ARG   6          HH21      ARG   6   8.879  -9.104   9.005
   49   HH22  ARG   6          HH22      ARG   6   8.250  -8.891  10.593
   50    H    ASP   7           H        ASP   7   0.957 -11.570   7.073
   51    HA   ASP   7           HA       ASP   7   1.507 -13.203   9.463
   52    HB2  ASP   7           HB2      ASP   7  -0.532 -11.909   9.517
   53    HB3  ASP   7           HB3      ASP   7  -1.063 -12.587   7.970
   54    H    GLU   8           H        GLU   8   2.920 -14.705   8.519
   55    HA   GLU   8           HA       GLU   8   2.522 -16.147   6.157
   56    HB2  GLU   8           HB2      GLU   8   3.961 -16.959   8.715
   57    HB3  GLU   8           HB3      GLU   8   4.087 -17.819   7.174
   58    HG2  GLU   8           HG2      GLU   8   4.962 -15.761   6.089
   59    HG3  GLU   8           HG3      GLU   8   4.901 -14.920   7.640
   60    H    THR   9           H        THR   9   0.667 -16.483   9.099
   61    HA   THR   9           HA       THR   9  -0.136 -19.182   8.907
   62    HB   THR   9           HB       THR   9  -2.002 -16.930   9.645
   63    HG1  THR   9           HG1      THR   9  -0.416 -16.290  10.789
   64   HG21  THR   9          HG21      THR   9  -1.558 -19.716  10.801
   65   HG22  THR   9          HG22      THR   9  -2.757 -18.527  11.367
   66   HG23  THR   9          HG23      THR   9  -2.895 -19.213   9.743
   67    H    ARG  10           H        ARG  10  -1.095 -16.322   6.948
   68    HA   ARG  10           HA       ARG  10  -3.316 -17.648   5.640
   69    HB2  ARG  10           HB2      ARG  10  -1.506 -15.303   4.856
   70    HB3  ARG  10           HB3      ARG  10  -2.758 -15.904   3.787
   71    HG2  ARG  10           HG2      ARG  10  -3.193 -14.729   6.560
   72    HG3  ARG  10           HG3      ARG  10  -3.558 -13.962   5.014
   73    HD2  ARG  10           HD2      ARG  10  -4.901 -16.399   6.224
   74    HD3  ARG  10           HD3      ARG  10  -5.614 -14.804   5.982
   75    HE   ARG  10           HE       ARG  10  -5.125 -15.265   3.470
   76   HH11  ARG  10          HH11      ARG  10  -6.312 -17.692   5.792
   77   HH12  ARG  10          HH12      ARG  10  -7.017 -18.705   4.589
   78   HH21  ARG  10          HH21      ARG  10  -6.123 -16.560   1.880
   79   HH22  ARG  10          HH22      ARG  10  -6.926 -18.035   2.313
   80    H    GLU  11           H        GLU  11   0.128 -17.345   4.846
   81    HA   GLU  11           HA       GLU  11  -0.041 -18.676   2.316
   82    HB2  GLU  11           HB2      GLU  11   2.296 -18.268   4.238
   83    HB3  GLU  11           HB3      GLU  11   2.448 -18.911   2.597
   84    HG2  GLU  11           HG2      GLU  11   1.584 -16.846   1.635
   85    HG3  GLU  11           HG3      GLU  11   1.206 -16.198   3.230
   86    H    HIS  12           H        HIS  12   0.765 -19.826   5.614
   87    HA   HIS  12           HA       HIS  12   1.062 -22.577   5.032
   88    HB2  HIS  12           HB2      HIS  12   1.741 -22.099   7.151
   89    HB3  HIS  12           HB3      HIS  12   0.528 -20.862   7.394
   90    HD1  HIS  12           HD1      HIS  12  -0.827 -24.456   6.783
   91    HD2  HIS  12           HD2      HIS  12  -0.086 -21.560   9.751
   92    HE1  HIS  12           HE1      HIS  12  -1.935 -25.301   8.877
   93    H    ARG  13           H        ARG  13  -1.949 -20.840   6.137
   94    HA   ARG  13           HA       ARG  13  -3.428 -23.261   6.009
   95    HB2  ARG  13           HB2      ARG  13  -4.313 -20.356   6.184
   96    HB3  ARG  13           HB3      ARG  13  -5.437 -21.720   6.188
   97    HG2  ARG  13           HG2      ARG  13  -4.232 -22.700   8.164
   98    HG3  ARG  13           HG3      ARG  13  -3.185 -21.283   8.213
   99    HD2  ARG  13           HD2      ARG  13  -4.943 -21.003   9.845
  100    HD3  ARG  13           HD3      ARG  13  -5.216 -19.840   8.529
  101    HE   ARG  13           HE       ARG  13  -6.600 -22.273   7.946
  102   HH11  ARG  13          HH11      ARG  13  -6.959 -19.546  10.217
  103   HH12  ARG  13          HH12      ARG  13  -8.667 -19.753  10.349
  104   HH21  ARG  13          HH21      ARG  13  -8.660 -22.550   8.104
  105   HH22  ARG  13          HH22      ARG  13  -9.720 -21.554   9.089
  106    H    ILE  14           H        ILE  14  -3.049 -20.697   3.487
  107    HA   ILE  14           HA       ILE  14  -5.123 -21.856   1.920
  108    HB   ILE  14           HB       ILE  14  -4.167 -19.545   1.677
  109   HG12  ILE  14          HG12      ILE  14  -4.544 -21.217  -0.835
  110   HG13  ILE  14          HG13      ILE  14  -5.818 -20.563   0.193
  111   HG21  ILE  14          HG21      ILE  14  -1.759 -20.166   1.509
  112   HG22  ILE  14          HG22      ILE  14  -2.064 -20.852  -0.099
  113   HG23  ILE  14          HG23      ILE  14  -2.299 -19.118   0.206
  114   HD11  ILE  14          HD11      ILE  14  -4.985 -18.245  -0.291
  115   HD12  ILE  14          HD12      ILE  14  -3.892 -18.959  -1.504
  116   HD13  ILE  14          HD13      ILE  14  -5.650 -19.137  -1.669
  117    H    GLU  15           H        GLU  15  -1.615 -22.555   2.170
  118    HA   GLU  15           HA       GLU  15  -1.555 -24.526   0.107
  119    HB2  GLU  15           HB2      GLU  15   0.426 -23.403   1.069
  120    HB3  GLU  15           HB3      GLU  15   0.146 -24.203   2.608
  121    HG2  GLU  15           HG2      GLU  15   1.899 -25.353   1.452
  122    HG3  GLU  15           HG3      GLU  15   0.501 -26.410   1.565
  123    H    THR  16           H        THR  16  -2.157 -24.819   3.706
  124    HA   THR  16           HA       THR  16  -2.375 -27.706   3.363
  125    HB   THR  16           HB       THR  16  -2.481 -27.694   5.843
  126    HG1  THR  16           HG1      THR  16  -3.375 -25.770   6.361
  127   HG21  THR  16          HG21      THR  16  -0.202 -26.927   6.223
  128   HG22  THR  16          HG22      THR  16  -0.302 -27.771   4.669
  129   HG23  THR  16          HG23      THR  16  -0.213 -25.998   4.710
  130    H    GLU  17           H        GLU  17  -4.744 -25.254   3.112
  131    HA   GLU  17           HA       GLU  17  -6.852 -27.279   3.763
  132    HB2  GLU  17           HB2      GLU  17  -7.097 -24.300   4.287
  133    HB3  GLU  17           HB3      GLU  17  -8.196 -25.591   4.757
  134    HG2  GLU  17           HG2      GLU  17  -6.265 -26.524   6.175
  135    HG3  GLU  17           HG3      GLU  17  -5.455 -24.976   5.900
  136    H    ILE  18           H        ILE  18  -5.829 -24.807   1.410
  137    HA   ILE  18           HA       ILE  18  -8.545 -24.966   0.173
  138    HB   ILE  18           HB       ILE  18  -6.457 -22.796   0.306
  139   HG12  ILE  18          HG12      ILE  18  -9.399 -22.804   1.116
  140   HG13  ILE  18          HG13      ILE  18  -8.113 -23.224   2.234
  141   HG21  ILE  18          HG21      ILE  18  -7.377 -22.748  -2.002
  142   HG22  ILE  18          HG22      ILE  18  -9.013 -22.739  -1.334
  143   HG23  ILE  18          HG23      ILE  18  -7.902 -21.366  -1.080
  144   HD11  ILE  18          HD11      ILE  18  -8.863 -20.930   2.557
  145   HD12  ILE  18          HD12      ILE  18  -7.153 -21.001   2.115
  146   HD13  ILE  18          HD13      ILE  18  -8.365 -20.502   0.916
  147    H    ILE  19           H        ILE  19  -5.068 -25.301  -0.612
  148    HA   ILE  19           HA       ILE  19  -5.898 -26.267  -3.321
  149    HB   ILE  19           HB       ILE  19  -3.919 -25.265  -4.231
  150   HG12  ILE  19          HG12      ILE  19  -3.161 -24.871  -1.372
  151   HG13  ILE  19          HG13      ILE  19  -2.190 -25.351  -2.744
  152   HG21  ILE  19          HG21      ILE  19  -5.279 -23.130  -2.562
  153   HG22  ILE  19          HG22      ILE  19  -4.569 -22.974  -4.174
  154   HG23  ILE  19          HG23      ILE  19  -6.045 -23.914  -3.961
  155   HD11  ILE  19          HD11      ILE  19  -3.052 -22.529  -2.013
  156   HD12  ILE  19          HD12      ILE  19  -1.433 -23.217  -1.922
  157   HD13  ILE  19          HD13      ILE  19  -2.183 -22.950  -3.514
  158    H    VAL  20           H        VAL  20  -5.533 -27.794  -0.826
  159    HA   VAL  20           HA       VAL  20  -3.161 -28.973  -0.350
  160    HB   VAL  20           HB       VAL  20  -4.483 -30.910   0.549
  161   HG11  VAL  20          HG11      VAL  20  -5.601 -29.582   2.268
  162   HG12  VAL  20          HG12      VAL  20  -4.038 -28.873   1.837
  163   HG13  VAL  20          HG13      VAL  20  -5.541 -28.136   1.238
  164   HG21  VAL  20          HG21      VAL  20  -6.932 -30.796   0.604
  165   HG22  VAL  20          HG22      VAL  20  -6.936 -29.412  -0.500
  166   HG23  VAL  20          HG23      VAL  20  -6.370 -31.005  -1.052
  167    H    ASP  21           H        ASP  21  -5.289 -30.030  -2.993
  168    HA   ASP  21           HA       ASP  21  -3.390 -32.257  -3.604
  169    HB2  ASP  21           HB2      ASP  21  -5.677 -32.864  -2.843
  170    HB3  ASP  21           HB3      ASP  21  -6.352 -31.979  -4.211
  171    H    ALA  22           H        ALA  22  -3.874 -29.199  -4.608
  172    HA   ALA  22           HA       ALA  22  -4.184 -29.615  -7.496
  173    HB1  ALA  22           HB1      ALA  22  -5.132 -27.604  -6.404
  174    HB2  ALA  22           HB2      ALA  22  -3.506 -27.141  -5.838
  175    HB3  ALA  22           HB3      ALA  22  -3.865 -27.170  -7.571
  176    H    GLU  23           H        GLU  23  -2.554 -29.605  -8.969
  177    HA   GLU  23           HA       GLU  23   0.207 -28.823  -8.143
  178    HB2  GLU  23           HB2      GLU  23  -0.635 -31.143  -9.933
  179    HB3  GLU  23           HB3      GLU  23   1.018 -30.545  -9.754
  180    HG2  GLU  23           HG2      GLU  23   0.913 -31.039  -7.302
  181    HG3  GLU  23           HG3      GLU  23  -0.686 -31.752  -7.534
  182    H    ASP  24           H        ASP  24  -2.467 -28.527 -10.393
  183    HA   ASP  24           HA       ASP  24  -0.762 -26.909 -12.252
  184    HB2  ASP  24           HB2      ASP  24  -1.758 -28.898 -13.300
  185    HB3  ASP  24           HB3      ASP  24  -3.367 -28.385 -12.772
  186    H    LYS  25           H        LYS  25  -1.569 -24.947 -12.991
  187    HA   LYS  25           HA       LYS  25  -2.768 -23.151 -11.321
  188    HB2  LYS  25           HB2      LYS  25  -2.961 -21.706 -13.226
  189    HB3  LYS  25           HB3      LYS  25  -1.542 -22.724 -13.484
  190    HG2  LYS  25           HG2      LYS  25  -3.396 -24.260 -14.680
  191    HG3  LYS  25           HG3      LYS  25  -4.207 -22.720 -14.889
  192    HD2  LYS  25           HD2      LYS  25  -2.324 -21.945 -16.254
  193    HD3  LYS  25           HD3      LYS  25  -1.401 -23.425 -15.895
  194    HE2  LYS  25           HE2      LYS  25  -4.171 -23.395 -17.174
  195    HE3  LYS  25           HE3      LYS  25  -2.684 -23.458 -18.125
  196    HZ1  LYS  25           HZ1      LYS  25  -2.273 -25.623 -17.389
  197    HZ2  LYS  25           HZ2      LYS  25  -3.245 -25.531 -16.075
  198    HZ3  LYS  25           HZ3      LYS  25  -3.926 -25.619 -17.536
  199    H    GLU  26           H        GLU  26  -4.570 -25.369 -13.537
  200    HA   GLU  26           HA       GLU  26  -7.084 -24.001 -13.216
  201    HB2  GLU  26           HB2      GLU  26  -6.267 -26.781 -14.170
  202    HB3  GLU  26           HB3      GLU  26  -7.937 -26.228 -14.169
  203    HG2  GLU  26           HG2      GLU  26  -7.490 -24.477 -15.747
  204    HG3  GLU  26           HG3      GLU  26  -5.748 -24.653 -15.577
  205    H    GLU  27           H        GLU  27  -5.451 -26.700 -11.547
  206    HA   GLU  27           HA       GLU  27  -7.754 -27.474  -9.963
  207    HB2  GLU  27           HB2      GLU  27  -4.781 -27.964  -9.536
  208    HB3  GLU  27           HB3      GLU  27  -6.101 -28.804  -8.711
  209    HG2  GLU  27           HG2      GLU  27  -6.855 -29.770 -10.845
  210    HG3  GLU  27           HG3      GLU  27  -5.584 -28.905 -11.721
  211    H    ARG  28           H        ARG  28  -4.858 -25.380  -9.489
  212    HA   ARG  28           HA       ARG  28  -5.516 -24.599  -6.793
  213    HB2  ARG  28           HB2      ARG  28  -3.921 -23.184  -8.984
  214    HB3  ARG  28           HB3      ARG  28  -4.124 -22.545  -7.348
  215    HG2  ARG  28           HG2      ARG  28  -3.138 -24.636  -6.415
  216    HG3  ARG  28           HG3      ARG  28  -2.815 -25.206  -8.059
  217    HD2  ARG  28           HD2      ARG  28  -1.729 -22.590  -6.940
  218    HD3  ARG  28           HD3      ARG  28  -0.868 -24.119  -6.811
  219    HE   ARG  28           HE       ARG  28  -1.253 -22.471  -9.222
  220   HH11  ARG  28          HH11      ARG  28  -0.191 -25.662  -8.041
  221   HH12  ARG  28          HH12      ARG  28   0.596 -26.072  -9.531
  222   HH21  ARG  28          HH21      ARG  28  -0.147 -22.880 -10.970
  223   HH22  ARG  28          HH22      ARG  28   0.812 -24.337 -11.213
  224    H    ALA  29           H        ALA  29  -6.580 -23.393  -9.982
  225    HA   ALA  29           HA       ALA  29  -7.905 -21.078  -8.939
  226    HB1  ALA  29           HB1      ALA  29  -8.940 -20.912 -11.108
  227    HB2  ALA  29           HB2      ALA  29  -7.267 -21.418 -11.360
  228    HB3  ALA  29           HB3      ALA  29  -8.583 -22.606 -11.489
  229    H    MET  30           H        MET  30  -9.008 -24.471  -9.556
  230    HA   MET  30           HA       MET  30 -11.691 -23.976  -8.676
  231    HB2  MET  30           HB2      MET  30 -10.048 -26.526  -8.719
  232    HB3  MET  30           HB3      MET  30 -11.766 -26.447  -8.328
  233    HG2  MET  30           HG2      MET  30 -10.547 -25.576 -10.971
  234    HG3  MET  30           HG3      MET  30 -11.326 -27.112 -10.652
  235    HE1  MET  30           HE1      MET  30 -13.227 -23.188 -11.863
  236    HE2  MET  30           HE2      MET  30 -12.739 -23.064 -10.176
  237    HE3  MET  30           HE3      MET  30 -11.532 -23.478 -11.413
  238    H    GLY  31           H        GLY  31  -8.769 -25.030  -6.839
  239    HA2  GLY  31           HA2      GLY  31  -9.985 -25.387  -4.334
  240    HA3  GLY  31           HA3      GLY  31  -8.328 -24.811  -4.599
  241    H    TRP  32           H        TRP  32  -8.435 -22.376  -5.587
  242    HA   TRP  32           HA       TRP  32  -9.259 -20.586  -3.629
  243    HB2  TRP  32           HB2      TRP  32  -8.683 -20.303  -6.579
  244    HB3  TRP  32           HB3      TRP  32  -9.360 -18.956  -5.693
  245    HD1  TRP  32           HD1      TRP  32  -6.108 -20.848  -6.081
  246    HE1  TRP  32           HE1      TRP  32  -4.228 -19.426  -5.176
  247    HE3  TRP  32           HE3      TRP  32  -8.913 -17.333  -3.635
  248    HZ2  TRP  32           HZ2      TRP  32  -3.947 -17.078  -3.457
  249    HZ3  TRP  32           HZ3      TRP  32  -7.807 -15.584  -2.274
  250    HH2  TRP  32           HH2      TRP  32  -5.330 -15.434  -2.190
  251    H    TYR  33           H        TYR  33 -10.995 -21.368  -6.727
  252    HA   TYR  33           HA       TYR  33 -13.135 -19.624  -6.393
  253    HB2  TYR  33           HB2      TYR  33 -12.809 -20.671  -8.511
  254    HB3  TYR  33           HB3      TYR  33 -12.860 -22.285  -7.813
  255    HD1  TYR  33           HD1      TYR  33 -14.974 -19.319  -8.629
  256    HD2  TYR  33           HD2      TYR  33 -14.903 -23.471  -7.452
  257    HE1  TYR  33           HE1      TYR  33 -17.415 -19.459  -8.956
  258    HE2  TYR  33           HE2      TYR  33 -17.359 -23.586  -7.684
  259    HH   TYR  33           HH       TYR  33 -19.303 -22.445  -8.301
  260    H    TYR  34           H        TYR  34 -12.910 -23.053  -5.258
  261    HA   TYR  34           HA       TYR  34 -15.642 -23.182  -4.483
  262    HB2  TYR  34           HB2      TYR  34 -13.219 -24.793  -3.588
  263    HB3  TYR  34           HB3      TYR  34 -14.856 -25.137  -3.057
  264    HD1  TYR  34           HD1      TYR  34 -16.553 -24.952  -5.421
  265    HD2  TYR  34           HD2      TYR  34 -12.570 -26.565  -4.994
  266    HE1  TYR  34           HE1      TYR  34 -16.950 -26.435  -7.354
  267    HE2  TYR  34           HE2      TYR  34 -12.977 -28.085  -6.898
  268    HH   TYR  34           HH       TYR  34 -14.484 -28.765  -8.546
  269    H    TYR  35           H        TYR  35 -12.656 -22.501  -2.470
  270    HA   TYR  35           HA       TYR  35 -14.344 -22.213  -0.142
  271    HB2  TYR  35           HB2      TYR  35 -12.500 -22.021   1.071
  272    HB3  TYR  35           HB3      TYR  35 -11.689 -22.619  -0.360
  273    HD1  TYR  35           HD1      TYR  35 -10.453 -21.018  -1.825
  274    HD2  TYR  35           HD2      TYR  35 -12.243 -19.733   1.868
  275    HE1  TYR  35           HE1      TYR  35  -9.103 -18.947  -1.912
  276    HE2  TYR  35           HE2      TYR  35 -10.929 -17.641   1.794
  277    HH   TYR  35           HH       TYR  35  -9.354 -16.391   0.621
  278    H    LEU  36           H        LEU  36 -13.061 -19.899  -2.572
  279    HA   LEU  36           HA       LEU  36 -13.646 -17.589  -1.062
  280    HB2  LEU  36           HB2      LEU  36 -12.161 -17.933  -3.147
  281    HB3  LEU  36           HB3      LEU  36 -13.616 -17.641  -4.101
  282    HG   LEU  36           HG       LEU  36 -12.259 -15.792  -2.081
  283   HD11  LEU  36          HD11      LEU  36 -11.561 -14.491  -4.001
  284   HD12  LEU  36          HD12      LEU  36 -11.042 -16.159  -4.231
  285   HD13  LEU  36          HD13      LEU  36 -12.455 -15.552  -5.116
  286   HD21  LEU  36          HD21      LEU  36 -14.711 -15.260  -3.803
  287   HD22  LEU  36          HD22      LEU  36 -14.582 -15.185  -2.027
  288   HD23  LEU  36          HD23      LEU  36 -13.747 -13.991  -3.014
  289    H    ASP  37           H        ASP  37 -15.573 -19.133  -3.757
  290    HA   ASP  37           HA       ASP  37 -17.757 -17.311  -3.542
  291    HB2  ASP  37           HB2      ASP  37 -17.367 -18.940  -5.450
  292    HB3  ASP  37           HB3      ASP  37 -17.922 -20.226  -4.393
  293    H    ASP  38           H        ASP  38 -17.148 -20.437  -1.884
  294    HA   ASP  38           HA       ASP  38 -19.603 -20.534  -0.444
  295    HB2  ASP  38           HB2      ASP  38 -18.085 -22.441  -0.632
  296    HB3  ASP  38           HB3      ASP  38 -16.854 -21.587   0.306
  297    H    THR  39           H        THR  39 -16.741 -18.534   0.079
  298    HA   THR  39           HA       THR  39 -17.487 -17.868   2.847
  299    HB   THR  39           HB       THR  39 -15.229 -16.869   1.057
  300    HG1  THR  39           HG1      THR  39 -14.950 -18.981   1.518
  301   HG21  THR  39          HG21      THR  39 -15.567 -15.208   2.754
  302   HG22  THR  39          HG22      THR  39 -15.827 -16.431   4.006
  303   HG23  THR  39          HG23      THR  39 -14.211 -16.204   3.297
  304    H    LEU  40           H        LEU  40 -17.749 -16.476  -0.442
  305    HA   LEU  40           HA       LEU  40 -18.283 -13.800   0.280
  306    HB2  LEU  40           HB2      LEU  40 -19.366 -15.421  -2.034
  307    HB3  LEU  40           HB3      LEU  40 -19.587 -13.680  -1.857
  308    HG   LEU  40           HG       LEU  40 -16.964 -15.126  -2.215
  309   HD11  LEU  40          HD11      LEU  40 -16.952 -14.154  -4.456
  310   HD12  LEU  40          HD12      LEU  40 -18.432 -15.099  -4.218
  311   HD13  LEU  40          HD13      LEU  40 -18.488 -13.331  -4.136
  312   HD21  LEU  40          HD21      LEU  40 -16.395 -13.220  -0.969
  313   HD22  LEU  40          HD22      LEU  40 -16.010 -12.847  -2.646
  314   HD23  LEU  40          HD23      LEU  40 -17.494 -12.179  -1.940
  315    H    GLU  41           H        GLU  41 -19.932 -13.030   1.568
  316    HA   GLU  41           HA       GLU  41 -22.423 -14.497   1.976
  317    HB2  GLU  41           HB2      GLU  41 -21.347 -11.817   2.942
  318    HB3  GLU  41           HB3      GLU  41 -22.950 -12.419   3.382
  319    HG2  GLU  41           HG2      GLU  41 -20.445 -14.062   3.856
  320    HG3  GLU  41           HG3      GLU  41 -21.033 -12.878   5.023
  321    H    PHE  42           H        PHE  42 -22.240 -14.255  -0.602
  322    HA   PHE  42           HA       PHE  42 -23.093 -11.803  -1.771
  323    HB2  PHE  42           HB2      PHE  42 -23.146 -13.002  -3.851
  324    HB3  PHE  42           HB3      PHE  42 -21.753 -13.519  -2.946
  325    HD1  PHE  42           HD2      PHE  42 -25.223 -14.508  -3.975
  326    HD2  PHE  42           HD1      PHE  42 -21.408 -15.880  -2.488
  327    HE1  PHE  42           HE2      PHE  42 -25.933 -16.857  -4.294
  328    HE2  PHE  42           HE1      PHE  42 -22.123 -18.213  -2.810
  329    HZ   PHE  42           HZ       PHE  42 -24.390 -18.721  -3.707
  330    HA   PRO  43           HA       PRO  43 -24.419 -11.211  -3.864
  331    HB2  PRO  43           HB2      PRO  43 -26.864  -9.541  -3.388
  332    HB3  PRO  43           HB3      PRO  43 -26.107 -10.023  -4.935
  333    HG2  PRO  43           HG2      PRO  43 -28.395 -11.215  -4.078
  334    HG3  PRO  43           HG3      PRO  43 -27.088 -12.195  -4.823
  335    HD2  PRO  43           HD2      PRO  43 -27.667 -11.783  -1.870
  336    HD3  PRO  43           HD3      PRO  43 -27.350 -13.308  -2.752
  337    H    PHE  44           H        PHE  44 -23.489  -9.063  -3.707
  338    HA   PHE  44           HA       PHE  44 -23.837  -7.493  -1.247
  339    HB2  PHE  44           HB2      PHE  44 -21.541  -7.501  -0.626
  340    HB3  PHE  44           HB3      PHE  44 -22.128  -9.147  -0.611
  341    HD1  PHE  44           HD1      PHE  44 -21.548 -10.651  -2.699
  342    HD2  PHE  44           HD2      PHE  44 -19.504  -6.987  -1.711
  343    HE1  PHE  44           HE1      PHE  44 -19.580 -11.406  -3.978
  344    HE2  PHE  44           HE2      PHE  44 -17.547  -7.734  -3.032
  345    HZ   PHE  44           HZ       PHE  44 -17.561  -9.960  -4.139
  346    H    MET  45           H        MET  45 -21.745  -5.657  -1.692
  347    HA   MET  45           HA       MET  45 -22.110  -4.863  -4.526
  348    HB2  MET  45           HB2      MET  45 -22.760  -2.699  -4.064
  349    HB3  MET  45           HB3      MET  45 -23.799  -3.687  -3.060
  350    HG2  MET  45           HG2      MET  45 -22.831  -2.956  -1.082
  351    HG3  MET  45           HG3      MET  45 -21.273  -2.609  -1.815
  352    HE1  MET  45           HE1      MET  45 -21.881  -0.668  -4.338
  353    HE2  MET  45           HE2      MET  45 -21.598   0.843  -3.452
  354    HE3  MET  45           HE3      MET  45 -20.574  -0.568  -3.151
  355    H    GLY  46           H        GLY  46 -20.707  -3.070  -5.165
  356    HA2  GLY  46           HA2      GLY  46 -18.243  -2.644  -3.641
  357    HA3  GLY  46           HA3      GLY  46 -18.046  -3.753  -5.011
  358    H    LYS  47           H        LYS  47 -16.557  -1.789  -5.246
  359    HA   LYS  47           HA       LYS  47 -17.832  -0.043  -7.306
  360    HB2  LYS  47           HB2      LYS  47 -16.776   1.112  -5.237
  361    HB3  LYS  47           HB3      LYS  47 -15.234   0.493  -5.805
  362    HG2  LYS  47           HG2      LYS  47 -15.284   2.656  -6.711
  363    HG3  LYS  47           HG3      LYS  47 -15.848   1.670  -8.064
  364    HD2  LYS  47           HD2      LYS  47 -17.340   3.492  -8.009
  365    HD3  LYS  47           HD3      LYS  47 -18.230   2.165  -7.247
  366    HE2  LYS  47           HE2      LYS  47 -17.759   3.067  -5.023
  367    HE3  LYS  47           HE3      LYS  47 -16.721   4.322  -5.717
  368    HZ1  LYS  47           HZ1      LYS  47 -18.999   5.086  -5.179
  369    HZ2  LYS  47           HZ2      LYS  47 -18.630   5.312  -6.748
  370    HZ3  LYS  47           HZ3      LYS  47 -19.624   4.090  -6.323
  371    H    TRP  48           H        TRP  48 -17.233  -0.644  -9.311
  372    HA   TRP  48           HA       TRP  48 -15.013  -2.531  -9.758
  373    HB2  TRP  48           HB2      TRP  48 -17.177  -2.564 -11.061
  374    HB3  TRP  48           HB3      TRP  48 -16.718  -1.033 -11.788
  375    HD1  TRP  48           HD1      TRP  48 -13.513  -2.371 -11.974
  376    HE1  TRP  48           HE1      TRP  48 -13.008  -3.819 -13.953
  377    HE3  TRP  48           HE3      TRP  48 -18.327  -3.418 -13.416
  378    HZ2  TRP  48           HZ2      TRP  48 -14.482  -5.297 -15.967
  379    HZ3  TRP  48           HZ3      TRP  48 -18.724  -4.886 -15.379
  380    HH2  TRP  48           HH2      TRP  48 -16.805  -5.830 -16.650
  381    H    LYS  49           H        LYS  49 -13.076  -1.605  -9.331
  382    HA   LYS  49           HA       LYS  49 -12.517   1.215  -9.801
  383    HB2  LYS  49           HB2      LYS  49 -10.681  -1.067  -8.891
  384    HB3  LYS  49           HB3      LYS  49 -10.387   0.654  -8.672
  385    HG2  LYS  49           HG2      LYS  49 -12.600  -0.961  -7.327
  386    HG3  LYS  49           HG3      LYS  49 -11.042  -0.624  -6.619
  387    HD2  LYS  49           HD2      LYS  49 -12.930   1.616  -7.463
  388    HD3  LYS  49           HD3      LYS  49 -12.993   0.817  -5.888
  389    HE2  LYS  49           HE2      LYS  49 -10.441   1.311  -5.742
  390    HE3  LYS  49           HE3      LYS  49 -10.746   2.505  -7.016
  391    HZ1  LYS  49           HZ1      LYS  49 -10.900   3.404  -4.743
  392    HZ2  LYS  49           HZ2      LYS  49 -12.304   3.592  -5.559
  393    HZ3  LYS  49           HZ3      LYS  49 -12.146   2.390  -4.401
  394    H    LYS  50           H        LYS  50 -13.084   0.539 -12.220
  395    HA   LYS  50           HA       LYS  50 -11.447  -1.330 -13.632
  396    HB2  LYS  50           HB2      LYS  50 -13.681  -0.698 -14.386
  397    HB3  LYS  50           HB3      LYS  50 -13.169   0.974 -14.658
  398    HG2  LYS  50           HG2      LYS  50 -11.682   0.347 -16.436
  399    HG3  LYS  50           HG3      LYS  50 -11.811  -1.372 -16.049
  400    HD2  LYS  50           HD2      LYS  50 -14.108   0.351 -17.088
  401    HD3  LYS  50           HD3      LYS  50 -13.066  -0.668 -18.095
  402    HE2  LYS  50           HE2      LYS  50 -13.761  -2.669 -16.747
  403    HE3  LYS  50           HE3      LYS  50 -14.886  -1.647 -15.847
  404    HZ1  LYS  50           HZ1      LYS  50 -16.003  -2.791 -17.642
  405    HZ2  LYS  50           HZ2      LYS  50 -16.027  -1.189 -17.956
  406    HZ3  LYS  50           HZ3      LYS  50 -14.998  -2.168 -18.763
  407    H    LYS  51           H        LYS  51  -9.304  -1.119 -14.012
  408    HA   LYS  51           HA       LYS  51  -8.002   1.477 -14.047
  409    HB2  LYS  51           HB2      LYS  51  -6.947  -0.785 -13.425
  410    HB3  LYS  51           HB3      LYS  51  -6.856  -1.108 -15.166
  411    HG2  LYS  51           HG2      LYS  51  -5.507   0.959 -15.458
  412    HG3  LYS  51           HG3      LYS  51  -5.657   1.312 -13.718
  413    HD2  LYS  51           HD2      LYS  51  -4.435  -0.678 -13.113
  414    HD3  LYS  51           HD3      LYS  51  -4.392  -1.256 -14.782
  415    HE2  LYS  51           HE2      LYS  51  -3.104   1.351 -13.845
  416    HE3  LYS  51           HE3      LYS  51  -2.252  -0.197 -13.924
  417    HZ1  LYS  51           HZ1      LYS  51  -2.758  -0.263 -16.308
  418    HZ2  LYS  51           HZ2      LYS  51  -3.457   1.223 -16.237
  419    HZ3  LYS  51           HZ3      LYS  51  -1.869   1.059 -15.936
  420    H    SER  52           H        SER  52  -8.214   2.924 -15.661
  421    HA   SER  52           HA       SER  52  -9.920   2.388 -17.788
  422    HB2  SER  52           HB2      SER  52  -7.962   4.689 -17.797
  423    HB3  SER  52           HB3      SER  52  -9.656   4.653 -18.312
  424    HG   SER  52           HG       SER  52  -9.682   5.629 -16.364
  425    H    ARG  53           H        ARG  53  -6.330   2.550 -17.800
  426    HA   ARG  53           HA       ARG  53  -6.138   1.401 -20.491
  427    HB2  ARG  53           HB2      ARG  53  -5.487   4.320 -19.838
  428    HB3  ARG  53           HB3      ARG  53  -4.583   3.463 -21.065
  429    HG2  ARG  53           HG2      ARG  53  -6.061   4.310 -22.467
  430    HG3  ARG  53           HG3      ARG  53  -7.009   2.896 -22.031
  431    HD2  ARG  53           HD2      ARG  53  -8.250   4.350 -20.349
  432    HD3  ARG  53           HD3      ARG  53  -7.252   5.705 -20.850
  433    HE   ARG  53           HE       ARG  53  -8.495   5.957 -22.742
  434   HH11  ARG  53          HH11      ARG  53  -9.320   2.762 -21.368
  435   HH12  ARG  53          HH12      ARG  53 -10.652   2.515 -22.442
  436   HH21  ARG  53          HH21      ARG  53 -10.261   5.597 -24.151
  437   HH22  ARG  53          HH22      ARG  53 -11.193   4.154 -24.050
  438    H    LYS  54           H        LYS  54  -3.534   1.665 -20.986
  439    HA   LYS  54           HA       LYS  54  -2.104   0.193 -19.024
  440    HB2  LYS  54           HB2      LYS  54  -1.553   0.332 -21.451
  441    HB3  LYS  54           HB3      LYS  54  -1.023   2.007 -21.227
  442    HG2  LYS  54           HG2      LYS  54   0.761   1.247 -19.687
  443    HG3  LYS  54           HG3      LYS  54   0.184  -0.426 -19.829
  444    HD2  LYS  54           HD2      LYS  54   0.695  -0.393 -22.257
  445    HD3  LYS  54           HD3      LYS  54   1.261   1.288 -22.115
  446    HE2  LYS  54           HE2      LYS  54   3.002   0.558 -20.495
  447    HE3  LYS  54           HE3      LYS  54   2.439  -1.112 -20.637
  448    HZ1  LYS  54           HZ1      LYS  54   3.593   0.489 -22.848
  449    HZ2  LYS  54           HZ2      LYS  54   4.354  -0.703 -22.041
  450    HZ3  LYS  54           HZ3      LYS  54   3.071  -1.056 -22.979
  451    H    THR  55           H        THR  55  -2.526   3.728 -19.478
  452    HA   THR  55           HA       THR  55  -0.581   4.611 -17.598
  453    HB   THR  55           HB       THR  55  -2.247   6.642 -17.639
  454    HG1  THR  55           HG1      THR  55  -3.733   6.570 -19.272
  455   HG21  THR  55          HG21      THR  55  -1.437   7.317 -19.870
  456   HG22  THR  55          HG22      THR  55  -0.141   6.548 -18.943
  457   HG23  THR  55          HG23      THR  55  -0.965   5.641 -20.230
  458    H    SER  56           H        SER  56  -1.176   5.721 -15.509
  459    HA   SER  56           HA       SER  56  -2.166   3.803 -13.736
  460    HB2  SER  56           HB2      SER  56  -1.762   6.765 -13.190
  461    HB3  SER  56           HB3      SER  56  -1.587   5.418 -12.051
  462    HG   SER  56           HG       SER  56   0.434   6.160 -12.841
  463    H    THR  57           H        THR  57  -4.137   5.887 -15.606
  464    HA   THR  57           HA       THR  57  -5.937   6.901 -13.752
  465    HB   THR  57           HB       THR  57  -6.679   6.067 -16.564
  466    HG1  THR  57           HG1      THR  57  -5.600   7.873 -17.306
  467   HG21  THR  57          HG21      THR  57  -7.332   8.546 -14.888
  468   HG22  THR  57          HG22      THR  57  -7.912   8.224 -16.539
  469   HG23  THR  57          HG23      THR  57  -8.440   7.200 -15.200
  470    H    ILE  58           H        ILE  58  -7.915   6.261 -12.970
  471    HA   ILE  58           HA       ILE  58  -8.942   3.540 -13.528
  472    HB   ILE  58           HB       ILE  58  -8.436   4.826 -10.818
  473   HG12  ILE  58          HG12      ILE  58  -7.412   2.334 -12.223
  474   HG13  ILE  58          HG13      ILE  58  -6.492   3.738 -11.700
  475   HG21  ILE  58          HG21      ILE  58 -10.046   2.334 -11.443
  476   HG22  ILE  58          HG22      ILE  58  -9.567   2.854  -9.807
  477   HG23  ILE  58          HG23      ILE  58 -10.668   3.840 -10.742
  478   HD11  ILE  58          HD11      ILE  58  -6.913   3.067  -9.325
  479   HD12  ILE  58          HD12      ILE  58  -7.690   1.578  -9.941
  480   HD13  ILE  58          HD13      ILE  58  -5.986   1.889 -10.290
  481    H    GLU  59           H        GLU  59 -11.096   3.397 -13.492
  482    HA   GLU  59           HA       GLU  59 -12.758   5.857 -13.169
  483    HB2  GLU  59           HB2      GLU  59 -13.054   3.520 -15.118
  484    HB3  GLU  59           HB3      GLU  59 -14.400   4.570 -14.658
  485    HG2  GLU  59           HG2      GLU  59 -13.136   6.555 -15.460
  486    HG3  GLU  59           HG3      GLU  59 -11.834   5.502 -16.002
  487    H    GLU  60           H        GLU  60 -14.720   5.403 -11.989
  488    HA   GLU  60           HA       GLU  60 -14.570   2.931 -10.317
  489    HB2  GLU  60           HB2      GLU  60 -14.898   5.823  -9.407
  490    HB3  GLU  60           HB3      GLU  60 -15.072   4.394  -8.385
  491    HG2  GLU  60           HG2      GLU  60 -12.683   3.778  -8.941
  492    HG3  GLU  60           HG3      GLU  60 -12.526   5.311  -9.807
  493    H    LYS  61           H        LYS  61 -16.429   1.858 -10.675
  494    HA   LYS  61           HA       LYS  61 -18.945   3.453 -11.075
  495    HB2  LYS  61           HB2      LYS  61 -17.976   2.461 -13.174
  496    HB3  LYS  61           HB3      LYS  61 -18.157   0.850 -12.457
  497    HG2  LYS  61           HG2      LYS  61 -20.595   1.139 -12.321
  498    HG3  LYS  61           HG3      LYS  61 -20.456   2.833 -12.812
  499    HD2  LYS  61           HD2      LYS  61 -21.225   1.526 -14.675
  500    HD3  LYS  61           HD3      LYS  61 -19.604   2.139 -15.030
  501    HE2  LYS  61           HE2      LYS  61 -18.616  -0.052 -14.531
  502    HE3  LYS  61           HE3      LYS  61 -20.185  -0.656 -13.961
  503    HZ1  LYS  61           HZ1      LYS  61 -19.709  -1.365 -16.234
  504    HZ2  LYS  61           HZ2      LYS  61 -21.063  -0.443 -16.155
  505    HZ3  LYS  61           HZ3      LYS  61 -19.660   0.189 -16.750
  506    H    THR  62           H        THR  62 -20.533   2.958  -9.595
  507    HA   THR  62           HA       THR  62 -20.019   0.948  -7.619
  508    HB   THR  62           HB       THR  62 -22.652   2.387  -8.121
  509    HG1  THR  62           HG1      THR  62 -21.802   4.183  -7.326
  510   HG21  THR  62          HG21      THR  62 -22.556   0.719  -6.259
  511   HG22  THR  62          HG22      THR  62 -21.169   1.594  -5.572
  512   HG23  THR  62          HG23      THR  62 -22.768   2.371  -5.654
  513    H    VAL  63           H        VAL  63 -20.754  -1.101  -7.474
  514    HA   VAL  63           HA       VAL  63 -22.702  -2.123  -9.504
  515    HB   VAL  63           HB       VAL  63 -21.233  -3.968  -9.942
  516   HG11  VAL  63          HG11      VAL  63 -19.878  -1.366 -10.725
  517   HG12  VAL  63          HG12      VAL  63 -19.815  -2.919 -11.572
  518   HG13  VAL  63          HG13      VAL  63 -21.336  -2.019 -11.488
  519   HG21  VAL  63          HG21      VAL  63 -19.725  -3.900  -7.966
  520   HG22  VAL  63          HG22      VAL  63 -18.815  -3.906  -9.481
  521   HG23  VAL  63          HG23      VAL  63 -19.007  -2.393  -8.576
  522    H    GLU  64           H        GLU  64 -23.571  -4.228  -9.026
  523    HA   GLU  64           HA       GLU  64 -23.556  -4.944  -6.121
  524    HB2  GLU  64           HB2      GLU  64 -25.724  -4.134  -6.965
  525    HB3  GLU  64           HB3      GLU  64 -25.709  -5.369  -8.227
  526    HG2  GLU  64           HG2      GLU  64 -25.727  -7.140  -6.479
  527    HG3  GLU  64           HG3      GLU  64 -25.678  -5.898  -5.225
  528    H    VAL  65           H        VAL  65 -22.503  -6.856  -5.740
  529    HA   VAL  65           HA       VAL  65 -21.557  -8.379  -8.105
  530    HB   VAL  65           HB       VAL  65 -20.492  -8.422  -5.256
  531   HG11  VAL  65          HG11      VAL  65 -18.477  -9.372  -6.415
  532   HG12  VAL  65          HG12      VAL  65 -19.906 -10.388  -6.646
  533   HG13  VAL  65          HG13      VAL  65 -19.361  -9.311  -7.953
  534   HG21  VAL  65          HG21      VAL  65 -18.629  -6.994  -6.117
  535   HG22  VAL  65          HG22      VAL  65 -19.537  -6.752  -7.626
  536   HG23  VAL  65          HG23      VAL  65 -20.166  -6.137  -6.081
  537    H    LEU  66           H        LEU  66 -22.533 -10.262  -8.500
  538    HA   LEU  66           HA       LEU  66 -24.694 -11.074  -6.708
  539    HB2  LEU  66           HB2      LEU  66 -23.893 -12.183  -9.423
  540    HB3  LEU  66           HB3      LEU  66 -25.419 -12.440  -8.581
  541    HG   LEU  66           HG       LEU  66 -24.404  -9.822  -9.776
  542   HD11  LEU  66          HD11      LEU  66 -25.276 -11.474 -11.382
  543   HD12  LEU  66          HD12      LEU  66 -26.798 -11.570 -10.471
  544   HD13  LEU  66          HD13      LEU  66 -26.328 -10.053 -11.269
  545   HD21  LEU  66          HD21      LEU  66 -25.622  -9.244  -7.740
  546   HD22  LEU  66          HD22      LEU  66 -26.610  -8.860  -9.146
  547   HD23  LEU  66          HD23      LEU  66 -26.965 -10.321  -8.194
  548    H    GLY  67           H        GLY  67 -21.478 -12.292  -7.493
  549    HA2  GLY  67           HA2      GLY  67 -20.966 -14.018  -5.516
  550    HA3  GLY  67           HA3      GLY  67 -21.998 -14.999  -6.584
  551    H    MET  68           H        MET  68 -19.600 -16.018  -6.537
  552    HA   MET  68           HA       MET  68 -17.729 -14.914  -8.476
  553    HB2  MET  68           HB2      MET  68 -18.130 -17.761  -7.504
  554    HB3  MET  68           HB3      MET  68 -16.849 -17.240  -8.594
  555    HG2  MET  68           HG2      MET  68 -17.243 -16.247  -5.754
  556    HG3  MET  68           HG3      MET  68 -16.066 -17.445  -6.266
  557    HE1  MET  68           HE1      MET  68 -14.732 -16.486  -8.832
  558    HE2  MET  68           HE2      MET  68 -13.392 -15.527  -8.187
  559    HE3  MET  68           HE3      MET  68 -13.852 -17.048  -7.392
  560    H    ALA  69           H        ALA  69 -17.430 -15.622 -10.616
  561    HA   ALA  69           HA       ALA  69 -19.809 -16.077 -12.203
  562    HB1  ALA  69           HB1      ALA  69 -16.863 -16.325 -12.953
  563    HB2  ALA  69           HB2      ALA  69 -18.213 -16.053 -14.064
  564    HB3  ALA  69           HB3      ALA  69 -17.758 -14.787 -12.926
  565    HA   PRO  70           HA       PRO  70 -19.979 -20.530 -12.415
  566    HB2  PRO  70           HB2      PRO  70 -19.090 -20.394 -15.306
  567    HB3  PRO  70           HB3      PRO  70 -20.412 -21.366 -14.583
  568    HG2  PRO  70           HG2      PRO  70 -20.997 -19.075 -15.893
  569    HG3  PRO  70           HG3      PRO  70 -21.790 -19.417 -14.319
  570    HD2  PRO  70           HD2      PRO  70 -19.408 -17.648 -14.886
  571    HD3  PRO  70           HD3      PRO  70 -20.828 -17.311 -13.847
  572    H    ASP  71           H        ASP  71 -18.605 -22.394 -12.288
  573    HA   ASP  71           HA       ASP  71 -15.850 -21.970 -11.809
  574    HB2  ASP  71           HB2      ASP  71 -15.647 -24.260 -11.480
  575    HB3  ASP  71           HB3      ASP  71 -17.292 -23.905 -10.977
  576    H    ASP  72           H        ASP  72 -17.608 -22.728 -14.782
  577    HA   ASP  72           HA       ASP  72 -15.450 -23.515 -16.441
  578    HB2  ASP  72           HB2      ASP  72 -17.790 -23.729 -17.108
  579    HB3  ASP  72           HB3      ASP  72 -17.990 -21.974 -17.089
  580    H    GLU  73           H        GLU  73 -16.456 -20.281 -15.312
  581    HA   GLU  73           HA       GLU  73 -14.524 -18.957 -17.102
  582    HB2  GLU  73           HB2      GLU  73 -16.480 -17.938 -15.010
  583    HB3  GLU  73           HB3      GLU  73 -15.238 -16.900 -15.693
  584    HG2  GLU  73           HG2      GLU  73 -17.333 -18.363 -17.348
  585    HG3  GLU  73           HG3      GLU  73 -17.483 -16.708 -16.769
  586    H    CYS  74           H        CYS  74 -14.998 -19.761 -13.652
  587    HA   CYS  74           HA       CYS  74 -12.655 -18.348 -12.831
  588    HB2  CYS  74           HB2      CYS  74 -14.376 -20.327 -11.290
  589    HB3  CYS  74           HB3      CYS  74 -13.159 -19.238 -10.602
  590    HG   CYS  74           HG       CYS  74 -16.017 -18.623 -12.104
  591    H    LEU  75           H        LEU  75 -12.355 -20.826 -14.699
  592    HA   LEU  75           HA       LEU  75 -10.598 -22.603 -13.168
  593    HB2  LEU  75           HB2      LEU  75 -11.772 -22.493 -15.923
  594    HB3  LEU  75           HB3      LEU  75 -10.210 -23.281 -15.808
  595    HG   LEU  75           HG       LEU  75 -12.486 -24.047 -13.952
  596   HD11  LEU  75          HD11      LEU  75 -13.251 -24.356 -16.271
  597   HD12  LEU  75          HD12      LEU  75 -11.785 -25.289 -16.645
  598   HD13  LEU  75          HD13      LEU  75 -12.975 -25.912 -15.476
  599   HD21  LEU  75          HD21      LEU  75 -11.233 -26.127 -13.697
  600   HD22  LEU  75          HD22      LEU  75 -10.021 -25.574 -14.872
  601   HD23  LEU  75          HD23      LEU  75 -10.179 -24.767 -13.299
  602    H    LYS  76           H        LYS  76 -10.179 -19.561 -14.611
  603    HA   LYS  76           HA       LYS  76  -7.248 -20.023 -14.967
  604    HB2  LYS  76           HB2      LYS  76  -7.341 -18.670 -17.001
  605    HB3  LYS  76           HB3      LYS  76  -8.385 -20.088 -17.124
  606    HG2  LYS  76           HG2      LYS  76 -10.337 -18.589 -16.478
  607    HG3  LYS  76           HG3      LYS  76  -9.250 -17.202 -16.623
  608    HD2  LYS  76           HD2      LYS  76  -8.885 -17.690 -18.990
  609    HD3  LYS  76           HD3      LYS  76  -9.831 -19.179 -18.879
  610    HE2  LYS  76           HE2      LYS  76 -10.913 -16.361 -18.397
  611    HE3  LYS  76           HE3      LYS  76 -11.100 -17.277 -19.891
  612    HZ1  LYS  76           HZ1      LYS  76 -12.190 -18.123 -17.260
  613    HZ2  LYS  76           HZ2      LYS  76 -13.067 -17.452 -18.469
  614    HZ3  LYS  76           HZ3      LYS  76 -12.376 -18.919 -18.689
  615    H    ASP  77           H        ASP  77  -9.761 -17.882 -13.785
  616    HA   ASP  77           HA       ASP  77  -7.842 -16.326 -12.306
  617    HB2  ASP  77           HB2      ASP  77  -7.731 -15.157 -14.515
  618    HB3  ASP  77           HB3      ASP  77  -9.475 -14.942 -14.473
  619    H    MET  78           H        MET  78  -9.137 -14.768 -10.852
  620    HA   MET  78           HA       MET  78 -11.651 -16.109 -10.024
  621    HB2  MET  78           HB2      MET  78  -9.979 -13.864  -8.821
  622    HB3  MET  78           HB3      MET  78 -11.513 -14.397  -8.143
  623    HG2  MET  78           HG2      MET  78  -9.028 -16.123  -8.457
  624    HG3  MET  78           HG3      MET  78  -9.628 -15.390  -6.977
  625    HE1  MET  78           HE1      MET  78  -9.295 -18.639  -8.703
  626    HE2  MET  78           HE2      MET  78 -10.902 -19.382  -8.765
  627    HE3  MET  78           HE3      MET  78 -10.522 -18.020  -9.832
  628    H    TYR  79           H        TYR  79 -13.539 -15.500 -10.958
  629    HA   TYR  79           HA       TYR  79 -13.880 -12.681 -11.879
  630    HB2  TYR  79           HB2      TYR  79 -14.746 -15.342 -13.080
  631    HB3  TYR  79           HB3      TYR  79 -15.477 -13.817 -13.532
  632    HD1  TYR  79           HD1      TYR  79 -14.005 -11.957 -14.498
  633    HD2  TYR  79           HD2      TYR  79 -12.791 -16.087 -14.232
  634    HE1  TYR  79           HE1      TYR  79 -12.359 -11.581 -16.308
  635    HE2  TYR  79           HE2      TYR  79 -11.156 -15.729 -16.042
  636    HH   TYR  79           HH       TYR  79 -10.184 -14.170 -17.517
  637    H    VAL  80           H        VAL  80 -15.969 -11.793 -11.573
  638    HA   VAL  80           HA       VAL  80 -17.908 -13.400  -9.966
  639    HB   VAL  80           HB       VAL  80 -18.440 -11.219  -8.838
  640   HG11  VAL  80          HG11      VAL  80 -17.228 -12.981  -7.669
  641   HG12  VAL  80          HG12      VAL  80 -15.679 -12.364  -8.282
  642   HG13  VAL  80          HG13      VAL  80 -16.676 -11.392  -7.169
  643   HG21  VAL  80          HG21      VAL  80 -15.695 -10.314  -9.829
  644   HG22  VAL  80          HG22      VAL  80 -17.254  -9.651 -10.369
  645   HG23  VAL  80          HG23      VAL  80 -16.750  -9.467  -8.685
  646    H    GLU  81           H        GLU  81 -20.071 -13.045 -10.356
  647    HA   GLU  81           HA       GLU  81 -20.761 -11.710 -12.930
  648    HB2  GLU  81           HB2      GLU  81 -22.282 -13.453 -10.952
  649    HB3  GLU  81           HB3      GLU  81 -23.130 -12.423 -12.119
  650    HG2  GLU  81           HG2      GLU  81 -21.956 -13.482 -13.992
  651    HG3  GLU  81           HG3      GLU  81 -21.060 -14.511 -12.884
  652    H    VAL  82           H        VAL  82 -21.864  -9.737 -12.943
  653    HA   VAL  82           HA       VAL  82 -22.335  -8.401 -10.349
  654    HB   VAL  82           HB       VAL  82 -19.955  -8.212 -10.757
  655   HG11  VAL  82          HG11      VAL  82 -20.579  -7.052 -13.505
  656   HG12  VAL  82          HG12      VAL  82 -19.002  -7.052 -12.714
  657   HG13  VAL  82          HG13      VAL  82 -19.749  -8.586 -13.156
  658   HG21  VAL  82          HG21      VAL  82 -21.283  -5.596 -11.465
  659   HG22  VAL  82          HG22      VAL  82 -21.093  -6.273  -9.824
  660   HG23  VAL  82          HG23      VAL  82 -19.662  -5.825 -10.768
  661    H    ALA  83           H        ALA  83 -23.935  -6.931 -10.445
  662    HA   ALA  83           HA       ALA  83 -25.221  -6.413 -13.085
  663    HB1  ALA  83           HB1      ALA  83 -26.357  -6.228 -10.274
  664    HB2  ALA  83           HB2      ALA  83 -27.206  -5.803 -11.783
  665    HB3  ALA  83           HB3      ALA  83 -26.719  -7.482 -11.488
  666    H    ASP  84           H        ASP  84 -25.278  -4.325 -13.813
  667    HA   ASP  84           HA       ASP  84 -23.323  -2.582 -12.489
  668    HB2  ASP  84           HB2      ASP  84 -23.088  -3.164 -14.847
  669    HB3  ASP  84           HB3      ASP  84 -24.661  -2.431 -15.203
  670    H    ILE  85           H        ILE  85 -24.962  -2.232 -10.719
  671    HA   ILE  85           HA       ILE  85 -27.273  -0.652 -11.123
  672    HB   ILE  85           HB       ILE  85 -27.250  -0.173  -8.771
  673   HG12  ILE  85          HG12      ILE  85 -24.474  -1.393  -8.642
  674   HG13  ILE  85          HG13      ILE  85 -24.807   0.333  -8.512
  675   HG21  ILE  85          HG21      ILE  85 -27.900  -2.440  -9.655
  676   HG22  ILE  85          HG22      ILE  85 -26.284  -3.034  -9.218
  677   HG23  ILE  85          HG23      ILE  85 -27.397  -2.445  -7.967
  678   HD11  ILE  85          HD11      ILE  85 -24.464  -0.601  -6.301
  679   HD12  ILE  85          HD12      ILE  85 -26.157  -0.091  -6.465
  680   HD13  ILE  85          HD13      ILE  85 -25.718  -1.814  -6.553
  681    H    GLY  86           H        GLY  86 -24.049   0.365 -11.594
  682    HA2  GLY  86           HA2      GLY  86 -24.553   3.206 -11.000
  683    HA3  GLY  86           HA3      GLY  86 -23.060   2.453 -11.579
  684    H    GLY  87           H        GLY  87 -24.272   1.007 -13.816
  685    HA2  GLY  87           HA2      GLY  87 -24.555   3.318 -15.684
  686    HA3  GLY  87           HA3      GLY  87 -23.738   1.786 -15.975
  687    H    LYS  88           H        LYS  88 -26.208   0.309 -14.775
  688    HA   LYS  88           HA       LYS  88 -28.090   0.674 -17.076
  689    HB2  LYS  88           HB2      LYS  88 -26.778  -1.943 -16.204
  690    HB3  LYS  88           HB3      LYS  88 -28.112  -1.828 -17.339
  691    HG2  LYS  88           HG2      LYS  88 -25.345  -0.634 -17.800
  692    HG3  LYS  88           HG3      LYS  88 -25.918  -2.183 -18.411
  693    HD2  LYS  88           HD2      LYS  88 -27.698  -1.066 -19.706
  694    HD3  LYS  88           HD3      LYS  88 -27.146   0.517 -19.118
  695    HE2  LYS  88           HE2      LYS  88 -24.913   0.115 -20.126
  696    HE3  LYS  88           HE3      LYS  88 -25.464  -1.456 -20.720
  697    HZ1  LYS  88           HZ1      LYS  88 -27.099  -0.291 -22.087
  698    HZ2  LYS  88           HZ2      LYS  88 -26.590   1.163 -21.536
  699    HZ3  LYS  88           HZ3      LYS  88 -25.598   0.236 -22.434
  700    H    ASP  89           H        ASP  89 -27.456  -0.852 -13.945
  701    HA   ASP  89           HA       ASP  89 -28.621  -1.670 -12.287
  702    HB2  ASP  89           HB2      ASP  89 -29.545   0.562 -12.070
  703    HB3  ASP  89           HB3      ASP  89 -30.837   0.177 -13.208
  704    H    ASP  90           H        ASP  90 -30.258  -1.946 -15.368
  705    HA   ASP  90           HA       ASP  90 -31.877  -4.231 -14.447
  706    HB2  ASP  90           HB2      ASP  90 -32.842  -2.228 -15.600
  707    HB3  ASP  90           HB3      ASP  90 -31.873  -2.628 -17.021
  708    H    ASP  91           H        ASP  91 -28.793  -4.086 -15.487
  709    HA   ASP  91           HA       ASP  91 -28.993  -6.613 -17.002
  710    HB2  ASP  91           HB2      ASP  91 -28.824  -4.597 -18.597
  711    HB3  ASP  91           HB3      ASP  91 -27.175  -4.411 -17.980
  712    H    VAL  92           H        VAL  92 -26.908  -7.651 -17.259
  713    HA   VAL  92           HA       VAL  92 -25.137  -7.330 -14.909
  714    HB   VAL  92           HB       VAL  92 -26.960  -8.790 -14.298
  715   HG11  VAL  92          HG11      VAL  92 -27.787  -9.527 -16.483
  716   HG12  VAL  92          HG12      VAL  92 -26.321 -10.503 -16.732
  717   HG13  VAL  92          HG13      VAL  92 -27.469 -10.910 -15.441
  718   HG21  VAL  92          HG21      VAL  92 -24.802  -9.470 -13.401
  719   HG22  VAL  92          HG22      VAL  92 -25.826 -10.872 -13.711
  720   HG23  VAL  92          HG23      VAL  92 -24.500 -10.500 -14.821
  721    H    TYR  93           H        TYR  93 -23.128  -8.229 -15.078
  722    HA   TYR  93           HA       TYR  93 -22.086  -9.134 -17.704
  723    HB2  TYR  93           HB2      TYR  93 -20.996  -6.846 -15.997
  724    HB3  TYR  93           HB3      TYR  93 -20.274  -7.456 -17.474
  725    HD1  TYR  93           HD2      TYR  93 -21.272  -6.999 -19.688
  726    HD2  TYR  93           HD1      TYR  93 -22.939  -5.347 -16.066
  727    HE1  TYR  93           HE2      TYR  93 -22.533  -5.350 -21.030
  728    HE2  TYR  93           HE1      TYR  93 -24.218  -3.701 -17.400
  729    HH   TYR  93           HH       TYR  93 -24.001  -3.565 -20.996
  730    H    THR  94           H        THR  94 -19.457  -9.292 -17.049
  731    HA   THR  94           HA       THR  94 -19.221 -10.628 -14.416
  732    HB   THR  94           HB       THR  94 -17.855 -11.507 -16.991
  733    HG1  THR  94           HG1      THR  94 -20.050 -12.033 -16.986
  734   HG21  THR  94          HG21      THR  94 -16.506 -12.041 -14.994
  735   HG22  THR  94          HG22      THR  94 -17.916 -12.795 -14.225
  736   HG23  THR  94          HG23      THR  94 -17.201 -13.512 -15.685
  737    H    ALA  95           H        ALA  95 -17.238 -10.177 -13.388
  738    HA   ALA  95           HA       ALA  95 -15.392  -8.242 -14.692
  739    HB1  ALA  95           HB1      ALA  95 -15.304  -6.911 -12.567
  740    HB2  ALA  95           HB2      ALA  95 -16.869  -6.819 -13.381
  741    HB3  ALA  95           HB3      ALA  95 -16.672  -7.861 -11.950
  742    H    LYS  96           H        LYS  96 -13.326  -8.138 -13.655
  743    HA   LYS  96           HA       LYS  96 -12.352 -10.740 -12.692
  744    HB2  LYS  96           HB2      LYS  96 -10.935  -8.031 -12.842
  745    HB3  LYS  96           HB3      LYS  96 -10.196  -9.569 -12.478
  746    HG2  LYS  96           HG2      LYS  96  -9.590  -8.998 -14.683
  747    HG3  LYS  96           HG3      LYS  96 -10.672 -10.375 -14.765
  748    HD2  LYS  96           HD2      LYS  96 -11.008  -8.698 -16.581
  749    HD3  LYS  96           HD3      LYS  96 -12.449  -9.051 -15.665
  750    HE2  LYS  96           HE2      LYS  96 -12.473  -6.707 -16.046
  751    HE3  LYS  96           HE3      LYS  96 -12.082  -6.910 -14.342
  752    HZ1  LYS  96           HZ1      LYS  96 -10.671  -5.276 -15.204
  753    HZ2  LYS  96           HZ2      LYS  96  -9.696  -6.582 -15.031
  754    HZ3  LYS  96           HZ3      LYS  96 -10.231  -6.163 -16.519
  755    H    LEU  97           H        LEU  97 -12.173 -11.227 -10.465
  756    HA   LEU  97           HA       LEU  97 -13.327  -9.448  -8.537
  757    HB2  LEU  97           HB2      LEU  97 -13.132 -11.916  -8.232
  758    HB3  LEU  97           HB3      LEU  97 -11.374 -11.753  -8.119
  759    HG   LEU  97           HG       LEU  97 -11.601 -10.394  -6.067
  760   HD11  LEU  97          HD11      LEU  97 -14.596 -10.814  -6.464
  761   HD12  LEU  97          HD12      LEU  97 -13.872 -10.245  -4.959
  762   HD13  LEU  97          HD13      LEU  97 -13.736  -9.258  -6.401
  763   HD21  LEU  97          HD21      LEU  97 -11.432 -12.845  -5.906
  764   HD22  LEU  97          HD22      LEU  97 -12.396 -12.171  -4.585
  765   HD23  LEU  97          HD23      LEU  97 -13.205 -12.979  -5.945
  766    H    SER  98           H        SER  98 -10.018  -9.984  -9.701
  767    HA   SER  98           HA       SER  98  -8.475  -8.442  -8.036
  768    HB2  SER  98           HB2      SER  98  -8.217  -8.597 -11.055
  769    HB3  SER  98           HB3      SER  98  -6.921  -8.524  -9.851
  770    HG   SER  98           HG       SER  98  -7.392 -10.657 -10.768
  771    H    ASP  99           H        ASP  99 -10.995  -7.216 -10.118
  772    HA   ASP  99           HA       ASP  99  -9.716  -4.541 -10.289
  773    HB2  ASP  99           HB2      ASP  99 -10.012  -6.017 -12.360
  774    HB3  ASP  99           HB3      ASP  99 -11.750  -5.776 -12.176
  775    H    ILE 100           H        ILE 100 -11.680  -5.937  -8.340
  776    HA   ILE 100           HA       ILE 100 -13.632  -3.688  -8.165
  777    HB   ILE 100           HB       ILE 100 -14.028  -6.621  -8.224
  778   HG12  ILE 100          HG12      ILE 100 -15.924  -4.271  -8.628
  779   HG13  ILE 100          HG13      ILE 100 -14.868  -4.940  -9.889
  780   HG21  ILE 100          HG21      ILE 100 -14.529  -6.313  -5.819
  781   HG22  ILE 100          HG22      ILE 100 -15.752  -5.089  -6.249
  782   HG23  ILE 100          HG23      ILE 100 -15.933  -6.781  -6.752
  783   HD11  ILE 100          HD11      ILE 100 -17.218  -6.309  -8.543
  784   HD12  ILE 100          HD12      ILE 100 -17.065  -5.808 -10.232
  785   HD13  ILE 100          HD13      ILE 100 -16.062  -7.142  -9.618
  786    H    GLU 101           H        GLU 101 -14.257  -3.080  -6.177
  787    HA   GLU 101           HA       GLU 101 -12.581  -3.832  -3.825
  788    HB2  GLU 101           HB2      GLU 101 -11.935  -1.631  -4.623
  789    HB3  GLU 101           HB3      GLU 101 -13.627  -1.113  -4.722
  790    HG2  GLU 101           HG2      GLU 101 -13.860  -1.153  -2.315
  791    HG3  GLU 101           HG3      GLU 101 -12.302  -1.961  -2.124
  792    H    ALA 102           H        ALA 102 -13.863  -4.778  -2.317
  793    HA   ALA 102           HA       ALA 102 -16.761  -4.867  -2.738
  794    HB1  ALA 102           HB1      ALA 102 -16.738  -6.468  -0.908
  795    HB2  ALA 102           HB2      ALA 102 -15.433  -6.855  -2.046
  796    HB3  ALA 102           HB3      ALA 102 -15.058  -6.059  -0.500
  797    H    ILE 103           H        ILE 103 -18.282  -3.853  -1.535
  798    HA   ILE 103           HA       ILE 103 -17.460  -2.058   0.707
  799    HB   ILE 103           HB       ILE 103 -19.139  -1.508  -1.750
  800   HG12  ILE 103          HG12      ILE 103 -16.722  -0.019  -0.617
  801   HG13  ILE 103          HG13      ILE 103 -16.631  -1.224  -1.900
  802   HG21  ILE 103          HG21      ILE 103 -18.903   0.310   0.686
  803   HG22  ILE 103          HG22      ILE 103 -19.704   0.719  -0.849
  804   HG23  ILE 103          HG23      ILE 103 -20.372  -0.544   0.151
  805   HD11  ILE 103          HD11      ILE 103 -18.159   0.131  -3.294
  806   HD12  ILE 103          HD12      ILE 103 -18.034   1.441  -2.088
  807   HD13  ILE 103          HD13      ILE 103 -16.585   0.885  -2.937
  808    H    ASP 104           H        ASP 104 -18.921  -1.874   2.360
  809    HA   ASP 104           HA       ASP 104 -20.539  -2.459   3.787
  810    HB2  ASP 104           HB2      ASP 104 -21.688  -0.893   2.278
  811    HB3  ASP 104           HB3      ASP 104 -22.295  -2.248   1.325
  812    H    VAL 105           H        VAL 105 -19.092  -4.682   2.974
  813    HA   VAL 105           HA       VAL 105 -21.153  -6.832   3.079
  814    HB   VAL 105           HB       VAL 105 -19.707  -6.570   0.989
  815   HG11  VAL 105          HG11      VAL 105 -17.511  -6.185   2.013
  816   HG12  VAL 105          HG12      VAL 105 -17.549  -7.816   2.712
  817   HG13  VAL 105          HG13      VAL 105 -17.512  -7.604   0.957
  818   HG21  VAL 105          HG21      VAL 105 -21.104  -8.521   1.553
  819   HG22  VAL 105          HG22      VAL 105 -19.675  -8.895   0.586
  820   HG23  VAL 105          HG23      VAL 105 -19.706  -9.284   2.316
  821    H    ASP 106           H        ASP 106 -20.239  -8.912   4.108
  822    HA   ASP 106           HA       ASP 106 -19.620  -8.330   6.850
  823    HB2  ASP 106           HB2      ASP 106 -20.949 -10.292   6.122
  824    HB3  ASP 106           HB3      ASP 106 -19.510 -10.945   5.314
  825    H    ASP 107           H        ASP 107 -17.792  -8.968   8.002
  826    HA   ASP 107           HA       ASP 107 -15.307  -8.114   6.980
  827    HB2  ASP 107           HB2      ASP 107 -15.852  -8.136   9.363
  828    HB3  ASP 107           HB3      ASP 107 -15.949  -9.899   9.357
  829    H    ASP 108           H        ASP 108 -16.617 -11.495   7.207
  830    HA   ASP 108           HA       ASP 108 -14.029 -12.592   6.519
  831    HB2  ASP 108           HB2      ASP 108 -15.953 -13.721   7.819
  832    HB3  ASP 108           HB3      ASP 108 -16.683 -14.027   6.235
  833    H    THR 109           H        THR 109 -16.766 -11.390   4.695
  834    HA   THR 109           HA       THR 109 -16.049 -12.641   2.127
  835    HB   THR 109           HB       THR 109 -17.859 -10.277   2.835
  836    HG1  THR 109           HG1      THR 109 -18.399 -12.488   3.568
  837   HG21  THR 109          HG21      THR 109 -17.381  -9.981   0.551
  838   HG22  THR 109          HG22      THR 109 -17.239 -11.712   0.273
  839   HG23  THR 109          HG23      THR 109 -18.839 -11.002   0.513
  840    H    GLN 110           H        GLN 110 -15.749  -9.377   3.687
  841    HA   GLN 110           HA       GLN 110 -14.287  -8.201   1.606
  842    HB2  GLN 110           HB2      GLN 110 -15.383  -7.248   3.836
  843    HB3  GLN 110           HB3      GLN 110 -13.769  -7.460   4.502
  844    HG2  GLN 110           HG2      GLN 110 -14.563  -5.798   2.064
  845    HG3  GLN 110           HG3      GLN 110 -14.169  -5.171   3.657
  846   HE21  GLN 110          HE22      GLN 110 -12.873  -5.945   0.581
  847   HE22  GLN 110          HE21      GLN 110 -11.180  -5.891   1.000
  848    H    GLU 111           H        GLU 111 -13.086  -9.972   4.527
  849    HA   GLU 111           HA       GLU 111 -10.337  -9.665   3.939
  850    HB2  GLU 111           HB2      GLU 111 -11.901 -11.709   5.551
  851    HB3  GLU 111           HB3      GLU 111 -10.146 -11.764   5.435
  852    HG2  GLU 111           HG2      GLU 111 -11.645  -9.292   6.416
  853    HG3  GLU 111           HG3      GLU 111 -11.083 -10.581   7.473
  854    H    ALA 112           H        ALA 112 -12.666 -12.186   2.770
  855    HA   ALA 112           HA       ALA 112 -10.636 -13.878   1.659
  856    HB1  ALA 112           HB1      ALA 112 -12.963 -14.626   1.996
  857    HB2  ALA 112           HB2      ALA 112 -13.533 -13.473   0.765
  858    HB3  ALA 112           HB3      ALA 112 -12.472 -14.819   0.304
  859    H    ILE 113           H        ILE 113 -12.480 -11.110   0.346
  860    HA   ILE 113           HA       ILE 113 -11.370 -11.287  -2.308
  861    HB   ILE 113           HB       ILE 113 -12.802  -9.068  -0.785
  862   HG12  ILE 113          HG12      ILE 113 -13.845 -11.022  -2.899
  863   HG13  ILE 113          HG13      ILE 113 -14.051 -11.259  -1.185
  864   HG21  ILE 113          HG21      ILE 113 -13.229  -8.054  -3.044
  865   HG22  ILE 113          HG22      ILE 113 -11.531  -8.035  -2.597
  866   HG23  ILE 113          HG23      ILE 113 -12.113  -9.242  -3.753
  867   HD11  ILE 113          HD11      ILE 113 -16.071 -10.333  -1.974
  868   HD12  ILE 113          HD12      ILE 113 -15.264  -9.082  -1.020
  869   HD13  ILE 113          HD13      ILE 113 -15.249  -9.011  -2.809
  870    H    ALA 114           H        ALA 114 -10.569  -9.315   0.609
  871    HA   ALA 114           HA       ALA 114  -8.420  -7.859  -0.519
  872    HB1  ALA 114           HB1      ALA 114  -8.766  -8.839   2.347
  873    HB2  ALA 114           HB2      ALA 114  -7.701  -7.531   1.800
  874    HB3  ALA 114           HB3      ALA 114  -9.461  -7.345   1.675
  875    H    ASP 115           H        ASP 115  -8.518 -11.124   0.980
  876    HA   ASP 115           HA       ASP 115  -5.696 -11.524   0.964
  877    HB2  ASP 115           HB2      ASP 115  -7.278 -12.834   2.333
  878    HB3  ASP 115           HB3      ASP 115  -7.908 -13.604   0.871
  879    H    TRP 116           H        TRP 116  -8.208 -12.257  -1.525
  880    HA   TRP 116           HA       TRP 116  -6.415 -13.524  -3.377
  881    HB2  TRP 116           HB2      TRP 116  -8.767 -13.723  -3.778
  882    HB3  TRP 116           HB3      TRP 116  -9.004 -11.979  -3.737
  883    HD1  TRP 116           HD1      TRP 116  -8.987 -10.759  -5.972
  884    HE1  TRP 116           HE1      TRP 116  -8.168 -11.215  -8.364
  885    HE3  TRP 116           HE3      TRP 116  -6.825 -15.343  -5.243
  886    HZ2  TRP 116           HZ2      TRP 116  -6.721 -13.275  -9.755
  887    HZ3  TRP 116           HZ3      TRP 116  -5.734 -16.528  -7.108
  888    HH2  TRP 116           HH2      TRP 116  -5.668 -15.507  -9.381
  889    H    LEU 117           H        LEU 117  -7.351 -10.078  -2.890
  890    HA   LEU 117           HA       LEU 117  -5.819  -9.068  -5.067
  891    HB2  LEU 117           HB2      LEU 117  -6.754  -7.793  -2.465
  892    HB3  LEU 117           HB3      LEU 117  -5.942  -6.885  -3.727
  893    HG   LEU 117           HG       LEU 117  -8.474  -8.479  -4.308
  894   HD11  LEU 117          HD11      LEU 117  -9.019  -6.922  -2.509
  895   HD12  LEU 117          HD12      LEU 117  -8.271  -5.578  -3.401
  896   HD13  LEU 117          HD13      LEU 117  -9.734  -6.374  -4.029
  897   HD21  LEU 117          HD21      LEU 117  -8.691  -6.903  -6.180
  898   HD22  LEU 117          HD22      LEU 117  -7.192  -6.085  -5.696
  899   HD23  LEU 117          HD23      LEU 117  -7.145  -7.763  -6.271
  900    H    TYR 118           H        TYR 118  -4.969  -9.536  -1.585
  901    HA   TYR 118           HA       TYR 118  -2.327  -8.507  -1.760
  902    HB2  TYR 118           HB2      TYR 118  -3.398 -10.698   0.055
  903    HB3  TYR 118           HB3      TYR 118  -1.887  -9.836   0.274
  904    HD1  TYR 118           HD1      TYR 118  -3.162  -6.975  -0.446
  905    HD2  TYR 118           HD2      TYR 118  -4.169 -10.179   2.275
  906    HE1  TYR 118           HE1      TYR 118  -4.291  -5.362   1.033
  907    HE2  TYR 118           HE2      TYR 118  -5.302  -8.566   3.760
  908    HH   TYR 118           HH       TYR 118  -5.882  -6.332   4.109
  909    H    TRP 119           H        TRP 119  -3.530 -11.913  -2.158
  910    HA   TRP 119           HA       TRP 119  -1.031 -13.101  -2.694
  911    HB2  TRP 119           HB2      TRP 119  -2.813 -14.585  -2.409
  912    HB3  TRP 119           HB3      TRP 119  -3.886 -13.683  -3.466
  913    HD1  TRP 119           HD1      TRP 119  -4.005 -14.265  -5.944
  914    HE1  TRP 119           HE1      TRP 119  -2.988 -16.037  -7.456
  915    HE3  TRP 119           HE3      TRP 119  -0.483 -16.112  -2.718
  916    HZ2  TRP 119           HZ2      TRP 119  -0.919 -18.081  -7.268
  917    HZ3  TRP 119           HZ3      TRP 119   0.999 -17.975  -3.416
  918    HH2  TRP 119           HH2      TRP 119   0.785 -18.971  -5.684
  919    H    LEU 120           H        LEU 120  -3.291 -11.457  -4.976
  920    HA   LEU 120           HA       LEU 120  -1.796 -12.106  -7.284
  921    HB2  LEU 120           HB2      LEU 120  -4.149 -11.317  -7.285
  922    HB3  LEU 120           HB3      LEU 120  -3.620  -9.719  -6.752
  923    HG   LEU 120           HG       LEU 120  -2.345  -9.422  -8.869
  924   HD11  LEU 120          HD11      LEU 120  -1.819 -11.743  -9.457
  925   HD12  LEU 120          HD12      LEU 120  -3.549 -12.130  -9.615
  926   HD13  LEU 120          HD13      LEU 120  -2.763 -11.016 -10.756
  927   HD21  LEU 120          HD21      LEU 120  -4.671  -8.641  -8.680
  928   HD22  LEU 120          HD22      LEU 120  -4.313  -9.173 -10.331
  929   HD23  LEU 120          HD23      LEU 120  -5.257 -10.221  -9.245
  930    H    ALA 121           H        ALA 121  -1.689  -9.252  -5.131
  931    HA   ALA 121           HA       ALA 121   0.338  -7.827  -6.561
  932    HB1  ALA 121           HB1      ALA 121  -0.641  -7.760  -3.678
  933    HB2  ALA 121           HB2      ALA 121   0.439  -6.539  -4.404
  934    HB3  ALA 121           HB3      ALA 121  -1.218  -6.760  -5.017
  935    H    ARG 122           H        ARG 122   0.479 -10.217  -3.893
  936    HA   ARG 122           HA       ARG 122   3.255 -10.045  -3.330
  937    HB2  ARG 122           HB2      ARG 122   1.641 -11.098  -1.840
  938    HB3  ARG 122           HB3      ARG 122   1.209 -12.282  -3.059
  939    HG2  ARG 122           HG2      ARG 122   2.519 -13.314  -1.360
  940    HG3  ARG 122           HG3      ARG 122   3.407 -13.352  -2.877
  941    HD2  ARG 122           HD2      ARG 122   4.823 -11.481  -2.127
  942    HD3  ARG 122           HD3      ARG 122   3.880 -11.328  -0.642
  943    HE   ARG 122           HE       ARG 122   5.909 -13.326  -1.311
  944   HH11  ARG 122          HH11      ARG 122   3.285 -12.496   0.991
  945   HH12  ARG 122          HH12      ARG 122   3.680 -13.830   2.059
  946   HH21  ARG 122          HH21      ARG 122   6.325 -15.092   0.123
  947   HH22  ARG 122          HH22      ARG 122   5.240 -15.405   1.444
  948    H    GLY 123           H        GLY 123   1.515 -11.622  -5.960
  949    HA2  GLY 123           HA2      GLY 123   3.257 -11.646  -7.867
  950    HA3  GLY 123           HA3      GLY 123   3.979 -12.973  -6.941
  951    H    TYR 124           H        TYR 124   2.223 -12.559  -9.571
  952    HA   TYR 124           HA       TYR 124   0.081 -14.476  -9.184
  953    HB2  TYR 124           HB2      TYR 124  -0.024 -12.576 -10.782
  954    HB3  TYR 124           HB3      TYR 124   1.275 -13.288 -11.718
  955    HD1  TYR 124           HD2      TYR 124  -2.160 -14.084 -10.361
  956    HD2  TYR 124           HD1      TYR 124   0.717 -14.734 -13.513
  957    HE1  TYR 124           HE2      TYR 124  -3.860 -15.342 -11.645
  958    HE2  TYR 124           HE1      TYR 124  -0.970 -15.999 -14.800
  959    HH   TYR 124           HH       TYR 124  -3.163 -16.769 -14.877
  960    H    LYS 125           H        LYS 125   1.562 -16.100  -8.145
  961    HA   LYS 125           HA       LYS 125   3.157 -17.725 -10.055
  962    HB2  LYS 125           HB2      LYS 125   2.725 -18.027  -7.048
  963    HB3  LYS 125           HB3      LYS 125   3.843 -18.962  -8.037
  964    HG2  LYS 125           HG2      LYS 125   4.050 -15.985  -7.417
  965    HG3  LYS 125           HG3      LYS 125   5.028 -17.286  -6.743
  966    HD2  LYS 125           HD2      LYS 125   5.905 -17.791  -9.036
  967    HD3  LYS 125           HD3      LYS 125   4.993 -16.397  -9.663
  968    HE2  LYS 125           HE2      LYS 125   6.217 -14.896  -8.113
  969    HE3  LYS 125           HE3      LYS 125   7.122 -16.277  -7.481
  970    HZ1  LYS 125           HZ1      LYS 125   8.387 -15.083  -9.148
  971    HZ2  LYS 125           HZ2      LYS 125   8.074 -16.585  -9.691
  972    HZ3  LYS 125           HZ3      LYS 125   7.239 -15.307 -10.280
  973    H    PHE 126           H        PHE 126   0.170 -17.335 -10.052
  974    HA   PHE 126           HA       PHE 126  -1.254 -19.538  -9.008
  975    HB2  PHE 126           HB2      PHE 126  -1.976 -17.187  -9.866
  976    HB3  PHE 126           HB3      PHE 126  -1.932 -17.903 -11.466
  977    HD1  PHE 126           HD2      PHE 126  -3.420 -18.557  -8.022
  978    HD2  PHE 126           HD1      PHE 126  -3.974 -18.626 -12.317
  979    HE1  PHE 126           HE2      PHE 126  -5.835 -18.911  -7.722
  980    HE2  PHE 126           HE1      PHE 126  -6.393 -19.030 -11.986
  981    HZ   PHE 126           HZ       PHE 126  -7.339 -19.108  -9.695
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   5.329  -3.274  -5.374
    2    H2   MET   1           H2       MET   1   3.749  -2.977  -5.666
    3    H3   MET   1           H3       MET   1   4.732  -1.764  -5.160
    4    HA   MET   1           HA       MET   1   5.070  -2.845  -3.047
    5    HB2  MET   1           HB2      MET   1   3.298  -1.178  -3.177
    6    HB3  MET   1           HB3      MET   1   2.149  -2.371  -3.787
    7    HG2  MET   1           HG2      MET   1   1.823  -1.857  -1.408
    8    HG3  MET   1           HG3      MET   1   2.160  -3.560  -1.674
    9    HE1  MET   1           HE1      MET   1   2.154  -1.964   1.088
   10    HE2  MET   1           HE2      MET   1   2.501  -3.708   1.055
   11    HE3  MET   1           HE3      MET   1   3.585  -2.599   1.922
   12    H    ALA   2           H        ALA   2   5.494  -4.843  -2.280
   13    HA   ALA   2           HA       ALA   2   3.552  -7.043  -2.793
   14    HB1  ALA   2           HB1      ALA   2   5.420  -8.578  -3.211
   15    HB2  ALA   2           HB2      ALA   2   5.427  -7.263  -4.396
   16    HB3  ALA   2           HB3      ALA   2   6.585  -7.247  -3.043
   17    H    SER   3           H        SER   3   4.970  -5.175  -0.409
   18    HA   SER   3           HA       SER   3   5.790  -7.221   1.425
   19    HB2  SER   3           HB2      SER   3   5.125  -4.317   2.014
   20    HB3  SER   3           HB3      SER   3   6.243  -5.378   2.886
   21    HG   SER   3           HG       SER   3   7.346  -3.960   1.475
   22    H    VAL   4           H        VAL   4   2.868  -7.246   0.432
   23    HA   VAL   4           HA       VAL   4   1.222  -6.387   2.645
   24    HB   VAL   4           HB       VAL   4  -0.629  -7.161   1.181
   25   HG11  VAL   4          HG11      VAL   4   0.314  -4.887   0.943
   26   HG12  VAL   4          HG12      VAL   4   1.426  -5.476  -0.314
   27   HG13  VAL   4          HG13      VAL   4  -0.326  -5.519  -0.579
   28   HG21  VAL   4          HG21      VAL   4   1.549  -7.964  -0.821
   29   HG22  VAL   4          HG22      VAL   4   0.496  -9.084   0.074
   30   HG23  VAL   4          HG23      VAL   4  -0.202  -7.950  -1.076
   31    H    GLU   5           H        GLU   5   3.102  -8.475   3.399
   32    HA   GLU   5           HA       GLU   5   1.557 -10.934   3.825
   33    HB2  GLU   5           HB2      GLU   5   4.018 -10.869   3.385
   34    HB3  GLU   5           HB3      GLU   5   4.264 -10.107   4.953
   35    HG2  GLU   5           HG2      GLU   5   3.288 -12.104   6.070
   36    HG3  GLU   5           HG3      GLU   5   2.910 -12.812   4.497
   37    H    ARG   6           H        ARG   6  -0.182  -9.579   4.694
   38    HA   ARG   6           HA       ARG   6  -0.163  -7.851   6.804
   39    HB2  ARG   6           HB2      ARG   6  -2.115  -8.131   5.492
   40    HB3  ARG   6           HB3      ARG   6  -2.255  -9.849   5.885
   41    HG2  ARG   6           HG2      ARG   6  -2.940  -9.397   8.134
   42    HG3  ARG   6           HG3      ARG   6  -2.591  -7.657   7.974
   43    HD2  ARG   6           HD2      ARG   6  -4.391  -7.347   6.410
   44    HD3  ARG   6           HD3      ARG   6  -4.577  -9.098   6.190
   45    HE   ARG   6           HE       ARG   6  -5.011  -8.354   8.934
   46   HH11  ARG   6          HH11      ARG   6  -6.641  -8.085   5.779
   47   HH12  ARG   6          HH12      ARG   6  -8.128  -8.807   6.360
   48   HH21  ARG   6          HH21      ARG   6  -7.151  -8.921   9.732
   49   HH22  ARG   6          HH22      ARG   6  -8.488  -8.985   8.611
   50    H    ASP   7           H        ASP   7  -0.585 -11.427   7.186
   51    HA   ASP   7           HA       ASP   7   0.886 -11.341   9.666
   52    HB2  ASP   7           HB2      ASP   7  -1.450 -10.758  10.454
   53    HB3  ASP   7           HB3      ASP   7  -2.021 -12.280   9.766
   54    H    GLU   8           H        GLU   8   1.808 -13.403   9.987
   55    HA   GLU   8           HA       GLU   8   1.903 -15.062   7.684
   56    HB2  GLU   8           HB2      GLU   8   2.873 -15.558  10.534
   57    HB3  GLU   8           HB3      GLU   8   3.273 -16.567   9.134
   58    HG2  GLU   8           HG2      GLU   8   4.314 -14.618   8.011
   59    HG3  GLU   8           HG3      GLU   8   3.981 -13.619   9.428
   60    H    THR   9           H        THR   9  -0.365 -15.164  10.408
   61    HA   THR   9           HA       THR   9  -1.115 -17.895  10.253
   62    HB   THR   9           HB       THR   9  -2.957 -15.541  10.729
   63    HG1  THR   9           HG1      THR   9  -1.313 -15.169  12.025
   64   HG21  THR   9          HG21      THR   9  -4.101 -17.709  10.652
   65   HG22  THR   9          HG22      THR   9  -2.938 -18.395  11.808
   66   HG23  THR   9          HG23      THR   9  -4.061 -17.109  12.315
   67    H    ARG  10           H        ARG  10  -1.851 -15.139   8.072
   68    HA   ARG  10           HA       ARG  10  -3.972 -16.465   6.607
   69    HB2  ARG  10           HB2      ARG  10  -1.977 -14.383   5.596
   70    HB3  ARG  10           HB3      ARG  10  -3.544 -14.755   4.899
   71    HG2  ARG  10           HG2      ARG  10  -3.107 -13.506   7.655
   72    HG3  ARG  10           HG3      ARG  10  -3.428 -12.599   6.192
   73    HD2  ARG  10           HD2      ARG  10  -5.355 -14.696   7.269
   74    HD3  ARG  10           HD3      ARG  10  -5.382 -13.000   7.754
   75    HE   ARG  10           HE       ARG  10  -5.601 -13.805   4.871
   76   HH11  ARG  10          HH11      ARG  10  -7.078 -12.035   7.622
   77   HH12  ARG  10          HH12      ARG  10  -8.199 -11.198   6.575
   78   HH21  ARG  10          HH21      ARG  10  -7.056 -12.845   3.669
   79   HH22  ARG  10          HH22      ARG  10  -8.315 -11.788   4.276
   80    H    GLU  11           H        GLU  11  -0.445 -16.212   6.205
   81    HA   GLU  11           HA       GLU  11  -0.259 -17.668   3.767
   82    HB2  GLU  11           HB2      GLU  11   1.398 -16.034   4.610
   83    HB3  GLU  11           HB3      GLU  11   1.764 -17.074   5.973
   84    HG2  GLU  11           HG2      GLU  11   3.496 -17.229   4.320
   85    HG3  GLU  11           HG3      GLU  11   2.695 -18.783   4.522
   86    H    HIS  12           H        HIS  12   0.304 -18.664   7.202
   87    HA   HIS  12           HA       HIS  12   0.912 -21.371   6.626
   88    HB2  HIS  12           HB2      HIS  12  -0.397 -20.158   9.100
   89    HB3  HIS  12           HB3      HIS  12   0.220 -21.802   8.994
   90    HD1  HIS  12           HD1      HIS  12   3.100 -21.590   8.007
   91    HD2  HIS  12           HD2      HIS  12   1.221 -18.763  10.492
   92    HE1  HIS  12           HE1      HIS  12   4.965 -20.385   9.247
   93    H    ARG  13           H        ARG  13  -2.280 -19.836   7.444
   94    HA   ARG  13           HA       ARG  13  -3.634 -22.356   7.475
   95    HB2  ARG  13           HB2      ARG  13  -4.656 -19.502   7.189
   96    HB3  ARG  13           HB3      ARG  13  -5.714 -20.911   7.145
   97    HG2  ARG  13           HG2      ARG  13  -4.746 -21.651   9.379
   98    HG3  ARG  13           HG3      ARG  13  -3.881 -20.117   9.454
   99    HD2  ARG  13           HD2      ARG  13  -5.901 -19.906  10.740
  100    HD3  ARG  13           HD3      ARG  13  -6.092 -18.925   9.273
  101    HE   ARG  13           HE       ARG  13  -7.067 -21.602   8.845
  102   HH11  ARG  13          HH11      ARG  13  -8.024 -18.653  10.597
  103   HH12  ARG  13          HH12      ARG  13  -9.715 -18.964  10.468
  104   HH21  ARG  13          HH21      ARG  13  -9.277 -21.975   8.590
  105   HH22  ARG  13          HH22      ARG  13 -10.450 -20.926   9.329
  106    H    ILE  14           H        ILE  14  -3.339 -19.908   4.783
  107    HA   ILE  14           HA       ILE  14  -5.044 -21.424   3.127
  108    HB   ILE  14           HB       ILE  14  -4.378 -19.047   2.774
  109   HG12  ILE  14          HG12      ILE  14  -4.194 -21.010   0.438
  110   HG13  ILE  14          HG13      ILE  14  -5.656 -20.331   1.159
  111   HG21  ILE  14          HG21      ILE  14  -1.888 -20.123   1.382
  112   HG22  ILE  14          HG22      ILE  14  -2.413 -18.432   1.518
  113   HG23  ILE  14          HG23      ILE  14  -1.906 -19.300   2.955
  114   HD11  ILE  14          HD11      ILE  14  -3.598 -18.846  -0.487
  115   HD12  ILE  14          HD12      ILE  14  -5.287 -19.220  -0.877
  116   HD13  ILE  14          HD13      ILE  14  -4.923 -18.059   0.415
  117    H    GLU  15           H        GLU  15  -1.517 -21.643   3.638
  118    HA   GLU  15           HA       GLU  15  -0.971 -23.569   1.616
  119    HB2  GLU  15           HB2      GLU  15   0.743 -22.206   2.627
  120    HB3  GLU  15           HB3      GLU  15   0.390 -22.838   4.240
  121    HG2  GLU  15           HG2      GLU  15   1.206 -25.033   3.645
  122    HG3  GLU  15           HG3      GLU  15   1.401 -24.559   1.951
  123    H    THR  16           H        THR  16  -2.184 -23.949   4.959
  124    HA   THR  16           HA       THR  16  -1.783 -26.866   4.740
  125    HB   THR  16           HB       THR  16  -2.112 -26.831   7.201
  126    HG1  THR  16           HG1      THR  16  -1.877 -24.019   6.943
  127   HG21  THR  16          HG21      THR  16   0.096 -24.999   6.161
  128   HG22  THR  16          HG22      THR  16   0.072 -25.852   7.720
  129   HG23  THR  16          HG23      THR  16   0.141 -26.772   6.210
  130    H    GLU  17           H        GLU  17  -4.489 -24.687   4.499
  131    HA   GLU  17           HA       GLU  17  -6.231 -27.098   4.702
  132    HB2  GLU  17           HB2      GLU  17  -7.718 -26.140   6.131
  133    HB3  GLU  17           HB3      GLU  17  -6.189 -25.547   6.751
  134    HG2  GLU  17           HG2      GLU  17  -6.690 -23.385   5.379
  135    HG3  GLU  17           HG3      GLU  17  -8.299 -24.050   5.156
  136    H    ILE  18           H        ILE  18  -5.349 -24.531   2.583
  137    HA   ILE  18           HA       ILE  18  -7.911 -24.957   1.088
  138    HB   ILE  18           HB       ILE  18  -6.144 -22.519   1.323
  139   HG12  ILE  18          HG12      ILE  18  -9.111 -22.898   1.938
  140   HG13  ILE  18          HG13      ILE  18  -7.844 -23.007   3.152
  141   HG21  ILE  18          HG21      ILE  18  -7.633 -21.395  -0.277
  142   HG22  ILE  18          HG22      ILE  18  -6.894 -22.777  -1.051
  143   HG23  ILE  18          HG23      ILE  18  -8.569 -22.896  -0.488
  144   HD11  ILE  18          HD11      ILE  18  -8.460 -20.489   1.579
  145   HD12  ILE  18          HD12      ILE  18  -8.938 -20.845   3.242
  146   HD13  ILE  18          HD13      ILE  18  -7.224 -20.677   2.843
  147    H    ILE  19           H        ILE  19  -4.445 -23.994   0.371
  148    HA   ILE  19           HA       ILE  19  -4.740 -25.512  -2.159
  149    HB   ILE  19           HB       ILE  19  -2.705 -24.381  -2.862
  150   HG12  ILE  19          HG12      ILE  19  -2.802 -22.973  -0.169
  151   HG13  ILE  19          HG13      ILE  19  -1.569 -24.121  -0.698
  152   HG21  ILE  19          HG21      ILE  19  -4.706 -22.351  -1.798
  153   HG22  ILE  19          HG22      ILE  19  -3.707 -22.242  -3.256
  154   HG23  ILE  19          HG23      ILE  19  -5.021 -23.415  -3.189
  155   HD11  ILE  19          HD11      ILE  19  -0.964 -22.489  -2.522
  156   HD12  ILE  19          HD12      ILE  19  -2.117 -21.340  -1.783
  157   HD13  ILE  19          HD13      ILE  19  -0.709 -21.889  -0.865
  158    H    VAL  20           H        VAL  20  -4.114 -26.534   0.796
  159    HA   VAL  20           HA       VAL  20  -1.617 -27.730   0.832
  160    HB   VAL  20           HB       VAL  20  -3.304 -27.471   2.630
  161   HG11  VAL  20          HG11      VAL  20  -4.969 -29.117   3.143
  162   HG12  VAL  20          HG12      VAL  20  -5.317 -28.393   1.571
  163   HG13  VAL  20          HG13      VAL  20  -4.606 -30.023   1.668
  164   HG21  VAL  20          HG21      VAL  20  -1.267 -28.814   2.968
  165   HG22  VAL  20          HG22      VAL  20  -2.623 -29.440   3.920
  166   HG23  VAL  20          HG23      VAL  20  -2.133 -30.270   2.429
  167    H    ASP  21           H        ASP  21  -4.582 -28.890  -0.684
  168    HA   ASP  21           HA       ASP  21  -3.530 -31.481  -1.451
  169    HB2  ASP  21           HB2      ASP  21  -5.915 -31.047  -0.982
  170    HB3  ASP  21           HB3      ASP  21  -5.996 -29.952  -2.363
  171    H    ALA  22           H        ALA  22  -3.147 -28.330  -2.824
  172    HA   ALA  22           HA       ALA  22  -3.219 -29.170  -5.627
  173    HB1  ALA  22           HB1      ALA  22  -2.372 -26.533  -4.347
  174    HB2  ALA  22           HB2      ALA  22  -2.634 -26.817  -6.069
  175    HB3  ALA  22           HB3      ALA  22  -4.006 -26.917  -4.947
  176    H    GLU  23           H        GLU  23  -1.412 -28.930  -7.057
  177    HA   GLU  23           HA       GLU  23   1.300 -28.752  -5.877
  178    HB2  GLU  23           HB2      GLU  23   2.061 -30.700  -7.106
  179    HB3  GLU  23           HB3      GLU  23   0.750 -31.140  -6.016
  180    HG2  GLU  23           HG2      GLU  23  -0.849 -31.142  -7.924
  181    HG3  GLU  23           HG3      GLU  23   0.451 -30.677  -9.021
  182    H    ASP  24           H        ASP  24  -0.890 -27.741  -8.293
  183    HA   ASP  24           HA       ASP  24   1.252 -26.546  -9.958
  184    HB2  ASP  24           HB2      ASP  24   0.630 -28.643 -11.059
  185    HB3  ASP  24           HB3      ASP  24  -1.084 -28.275 -10.878
  186    H    LYS  25           H        LYS  25   0.415 -24.695 -11.189
  187    HA   LYS  25           HA       LYS  25  -1.156 -22.959  -9.694
  188    HB2  LYS  25           HB2      LYS  25  -1.135 -21.500 -11.630
  189    HB3  LYS  25           HB3      LYS  25   0.439 -22.263 -11.426
  190    HG2  LYS  25           HG2      LYS  25  -0.203 -23.928 -13.217
  191    HG3  LYS  25           HG3      LYS  25  -1.715 -23.030 -13.448
  192    HD2  LYS  25           HD2      LYS  25  -0.434 -21.013 -14.074
  193    HD3  LYS  25           HD3      LYS  25   1.087 -21.921 -13.862
  194    HE2  LYS  25           HE2      LYS  25   0.310 -23.586 -15.544
  195    HE3  LYS  25           HE3      LYS  25  -1.187 -22.678 -15.758
  196    HZ1  LYS  25           HZ1      LYS  25   0.422 -22.150 -17.484
  197    HZ2  LYS  25           HZ2      LYS  25   0.141 -20.815 -16.594
  198    HZ3  LYS  25           HZ3      LYS  25   1.528 -21.659 -16.394
  199    H    GLU  26           H        GLU  26  -2.350 -25.240 -12.248
  200    HA   GLU  26           HA       GLU  26  -4.971 -23.994 -12.329
  201    HB2  GLU  26           HB2      GLU  26  -3.955 -26.751 -13.155
  202    HB3  GLU  26           HB3      GLU  26  -5.613 -26.201 -13.393
  203    HG2  GLU  26           HG2      GLU  26  -4.812 -24.297 -14.763
  204    HG3  GLU  26           HG3      GLU  26  -3.145 -24.832 -14.551
  205    H    GLU  27           H        GLU  27  -3.448 -26.561 -10.381
  206    HA   GLU  27           HA       GLU  27  -5.920 -27.453  -9.157
  207    HB2  GLU  27           HB2      GLU  27  -3.032 -27.793  -8.247
  208    HB3  GLU  27           HB3      GLU  27  -4.426 -28.655  -7.606
  209    HG2  GLU  27           HG2      GLU  27  -3.370 -28.809 -10.461
  210    HG3  GLU  27           HG3      GLU  27  -3.130 -30.017  -9.204
  211    H    ARG  28           H        ARG  28  -3.310 -25.130  -8.312
  212    HA   ARG  28           HA       ARG  28  -4.406 -24.326  -5.780
  213    HB2  ARG  28           HB2      ARG  28  -2.706 -22.787  -7.805
  214    HB3  ARG  28           HB3      ARG  28  -3.172 -22.162  -6.221
  215    HG2  ARG  28           HG2      ARG  28  -2.084 -24.146  -5.150
  216    HG3  ARG  28           HG3      ARG  28  -1.472 -24.644  -6.728
  217    HD2  ARG  28           HD2      ARG  28  -0.900 -21.941  -5.427
  218    HD3  ARG  28           HD3      ARG  28   0.141 -23.344  -5.242
  219    HE   ARG  28           HE       ARG  28  -0.056 -21.571  -7.547
  220   HH11  ARG  28          HH11      ARG  28   1.000 -24.832  -6.554
  221   HH12  ARG  28          HH12      ARG  28   2.233 -24.916  -7.757
  222   HH21  ARG  28          HH21      ARG  28   1.445 -21.673  -9.044
  223   HH22  ARG  28          HH22      ARG  28   2.504 -23.054  -9.275
  224    H    ALA  29           H        ALA  29  -5.078 -23.255  -9.135
  225    HA   ALA  29           HA       ALA  29  -6.747 -21.077  -8.421
  226    HB1  ALA  29           HB1      ALA  29  -5.797 -21.592 -10.726
  227    HB2  ALA  29           HB2      ALA  29  -7.069 -22.819 -10.897
  228    HB3  ALA  29           HB3      ALA  29  -7.498 -21.113 -10.681
  229    H    MET  30           H        MET  30  -7.528 -24.561  -8.980
  230    HA   MET  30           HA       MET  30 -10.336 -24.199  -8.456
  231    HB2  MET  30           HB2      MET  30  -8.595 -26.680  -8.375
  232    HB3  MET  30           HB3      MET  30 -10.358 -26.678  -8.247
  233    HG2  MET  30           HG2      MET  30  -8.776 -25.627 -10.627
  234    HG3  MET  30           HG3      MET  30  -9.539 -27.199 -10.511
  235    HE1  MET  30           HE1      MET  30 -11.034 -23.212 -10.109
  236    HE2  MET  30           HE2      MET  30  -9.770 -23.566 -11.305
  237    HE3  MET  30           HE3      MET  30 -11.446 -23.285 -11.823
  238    H    GLY  31           H        GLY  31  -7.587 -25.051  -6.306
  239    HA2  GLY  31           HA2      GLY  31  -9.103 -25.583  -3.968
  240    HA3  GLY  31           HA3      GLY  31  -7.453 -24.931  -4.012
  241    H    TRP  32           H        TRP  32  -7.700 -22.474  -5.147
  242    HA   TRP  32           HA       TRP  32  -8.817 -20.754  -3.215
  243    HB2  TRP  32           HB2      TRP  32  -7.853 -20.440  -6.050
  244    HB3  TRP  32           HB3      TRP  32  -8.750 -19.141  -5.296
  245    HD1  TRP  32           HD1      TRP  32  -5.409 -20.967  -4.924
  246    HE1  TRP  32           HE1      TRP  32  -3.757 -19.306  -3.971
  247    HE3  TRP  32           HE3      TRP  32  -8.696 -17.305  -3.524
  248    HZ2  TRP  32           HZ2      TRP  32  -3.884 -16.889  -2.325
  249    HZ3  TRP  32           HZ3      TRP  32  -7.915 -15.385  -2.170
  250    HH2  TRP  32           HH2      TRP  32  -5.512 -15.166  -1.570
  251    H    TYR  33           H        TYR  33 -10.130 -21.685  -6.466
  252    HA   TYR  33           HA       TYR  33 -12.425 -20.097  -6.362
  253    HB2  TYR  33           HB2      TYR  33 -11.760 -21.169  -8.420
  254    HB3  TYR  33           HB3      TYR  33 -11.889 -22.771  -7.703
  255    HD1  TYR  33           HD2      TYR  33 -14.070 -23.829  -7.252
  256    HD2  TYR  33           HD1      TYR  33 -13.797 -19.967  -9.156
  257    HE1  TYR  33           HE2      TYR  33 -16.471 -23.920  -7.753
  258    HE2  TYR  33           HE1      TYR  33 -16.162 -20.139  -9.840
  259    HH   TYR  33           HH       TYR  33 -18.266 -22.887  -8.857
  260    H    TYR  34           H        TYR  34 -11.974 -23.466  -5.175
  261    HA   TYR  34           HA       TYR  34 -14.652 -24.014  -4.549
  262    HB2  TYR  34           HB2      TYR  34 -13.128 -25.806  -4.706
  263    HB3  TYR  34           HB3      TYR  34 -11.954 -25.040  -3.649
  264    HD1  TYR  34           HD1      TYR  34 -15.384 -26.565  -3.611
  265    HD2  TYR  34           HD2      TYR  34 -11.856 -25.507  -1.375
  266    HE1  TYR  34           HE1      TYR  34 -16.280 -27.783  -1.638
  267    HE2  TYR  34           HE2      TYR  34 -12.733 -26.717   0.608
  268    HH   TYR  34           HH       TYR  34 -14.490 -27.981   1.478
  269    H    TYR  35           H        TYR  35 -12.005 -22.866  -2.288
  270    HA   TYR  35           HA       TYR  35 -13.946 -22.674  -0.171
  271    HB2  TYR  35           HB2      TYR  35 -12.267 -22.256   1.227
  272    HB3  TYR  35           HB3      TYR  35 -11.271 -22.861  -0.080
  273    HD1  TYR  35           HD1      TYR  35 -10.021 -21.233  -1.516
  274    HD2  TYR  35           HD2      TYR  35 -12.244 -19.932   1.929
  275    HE1  TYR  35           HE1      TYR  35  -8.851 -19.046  -1.606
  276    HE2  TYR  35           HE2      TYR  35 -11.104 -17.742   1.857
  277    HH   TYR  35           HH       TYR  35  -9.541 -16.417   0.761
  278    H    LEU  36           H        LEU  36 -12.628 -20.297  -2.529
  279    HA   LEU  36           HA       LEU  36 -13.630 -18.014  -1.210
  280    HB2  LEU  36           HB2      LEU  36 -11.906 -17.926  -2.945
  281    HB3  LEU  36           HB3      LEU  36 -13.057 -18.502  -4.158
  282    HG   LEU  36           HG       LEU  36 -14.375 -16.441  -3.951
  283   HD11  LEU  36          HD11      LEU  36 -13.486 -14.496  -2.666
  284   HD12  LEU  36          HD12      LEU  36 -13.991 -15.809  -1.602
  285   HD13  LEU  36          HD13      LEU  36 -12.260 -15.553  -1.935
  286   HD21  LEU  36          HD21      LEU  36 -11.398 -15.874  -4.310
  287   HD22  LEU  36          HD22      LEU  36 -12.467 -16.587  -5.533
  288   HD23  LEU  36          HD23      LEU  36 -12.755 -14.937  -4.977
  289    H    ASP  37           H        ASP  37 -15.078 -19.972  -3.907
  290    HA   ASP  37           HA       ASP  37 -17.477 -18.457  -4.113
  291    HB2  ASP  37           HB2      ASP  37 -16.750 -20.136  -5.786
  292    HB3  ASP  37           HB3      ASP  37 -17.029 -21.427  -4.616
  293    H    ASP  38           H        ASP  38 -16.627 -21.256  -2.037
  294    HA   ASP  38           HA       ASP  38 -19.167 -21.479  -0.748
  295    HB2  ASP  38           HB2      ASP  38 -17.472 -23.250  -0.736
  296    HB3  ASP  38           HB3      ASP  38 -16.391 -22.241   0.226
  297    H    THR  39           H        THR  39 -16.629 -19.092  -0.295
  298    HA   THR  39           HA       THR  39 -17.561 -18.431   2.443
  299    HB   THR  39           HB       THR  39 -15.158 -17.448   0.852
  300    HG1  THR  39           HG1      THR  39 -14.908 -19.542   1.375
  301   HG21  THR  39          HG21      THR  39 -16.024 -16.966   3.734
  302   HG22  THR  39          HG22      THR  39 -14.356 -16.726   3.162
  303   HG23  THR  39          HG23      THR  39 -15.674 -15.755   2.493
  304    H    LEU  40           H        LEU  40 -17.442 -17.049  -0.871
  305    HA   LEU  40           HA       LEU  40 -18.203 -14.396  -0.211
  306    HB2  LEU  40           HB2      LEU  40 -18.801 -16.091  -2.659
  307    HB3  LEU  40           HB3      LEU  40 -19.199 -14.380  -2.542
  308    HG   LEU  40           HG       LEU  40 -16.382 -15.506  -2.424
  309   HD11  LEU  40          HD11      LEU  40 -16.158 -14.650  -4.717
  310   HD12  LEU  40          HD12      LEU  40 -17.460 -15.840  -4.624
  311   HD13  LEU  40          HD13      LEU  40 -17.850 -14.108  -4.699
  312   HD21  LEU  40          HD21      LEU  40 -15.706 -13.147  -2.946
  313   HD22  LEU  40          HD22      LEU  40 -17.344 -12.659  -2.461
  314   HD23  LEU  40          HD23      LEU  40 -16.240 -13.479  -1.307
  315    H    GLU  41           H        GLU  41 -20.057 -13.841   0.954
  316    HA   GLU  41           HA       GLU  41 -22.434 -15.551   0.892
  317    HB2  GLU  41           HB2      GLU  41 -21.898 -12.900   2.297
  318    HB3  GLU  41           HB3      GLU  41 -23.385 -13.864   2.419
  319    HG2  GLU  41           HG2      GLU  41 -21.944 -15.817   3.174
  320    HG3  GLU  41           HG3      GLU  41 -20.604 -14.683   3.336
  321    H    PHE  42           H        PHE  42 -22.022 -15.074  -1.599
  322    HA   PHE  42           HA       PHE  42 -22.940 -12.643  -2.717
  323    HB2  PHE  42           HB2      PHE  42 -22.897 -13.832  -4.836
  324    HB3  PHE  42           HB3      PHE  42 -21.486 -14.221  -3.893
  325    HD1  PHE  42           HD2      PHE  42 -24.842 -15.520  -4.966
  326    HD2  PHE  42           HD1      PHE  42 -20.936 -16.518  -3.421
  327    HE1  PHE  42           HE2      PHE  42 -25.324 -17.928  -5.286
  328    HE2  PHE  42           HE1      PHE  42 -21.423 -18.917  -3.749
  329    HZ   PHE  42           HZ       PHE  42 -23.618 -19.636  -4.676
  330    HA   PRO  43           HA       PRO  43 -24.131 -12.075  -4.808
  331    HB2  PRO  43           HB2      PRO  43 -26.128 -10.295  -5.283
  332    HB3  PRO  43           HB3      PRO  43 -26.077 -11.917  -6.036
  333    HG2  PRO  43           HG2      PRO  43 -27.631 -11.059  -3.577
  334    HG3  PRO  43           HG3      PRO  43 -28.221 -11.989  -4.991
  335    HD2  PRO  43           HD2      PRO  43 -27.420 -13.200  -2.669
  336    HD3  PRO  43           HD3      PRO  43 -27.139 -13.954  -4.265
  337    H    PHE  44           H        PHE  44 -23.345  -9.908  -4.624
  338    HA   PHE  44           HA       PHE  44 -23.943  -8.318  -2.231
  339    HB2  PHE  44           HB2      PHE  44 -21.710  -8.180  -1.444
  340    HB3  PHE  44           HB3      PHE  44 -22.194  -9.859  -1.431
  341    HD1  PHE  44           HD1      PHE  44 -21.295 -11.416  -3.306
  342    HD2  PHE  44           HD2      PHE  44 -19.687  -7.503  -2.485
  343    HE1  PHE  44           HE1      PHE  44 -19.177 -12.054  -4.415
  344    HE2  PHE  44           HE2      PHE  44 -17.587  -8.129  -3.633
  345    HZ   PHE  44           HZ       PHE  44 -17.316 -10.412  -4.584
  346    H    MET  45           H        MET  45 -21.955  -6.346  -2.577
  347    HA   MET  45           HA       MET  45 -22.043  -5.732  -5.470
  348    HB2  MET  45           HB2      MET  45 -22.903  -3.604  -5.235
  349    HB3  MET  45           HB3      MET  45 -23.986  -4.621  -4.306
  350    HG2  MET  45           HG2      MET  45 -23.349  -3.703  -2.276
  351    HG3  MET  45           HG3      MET  45 -21.740  -3.264  -2.819
  352    HE1  MET  45           HE1      MET  45 -21.042  -1.217  -4.181
  353    HE2  MET  45           HE2      MET  45 -22.155  -1.533  -5.522
  354    HE3  MET  45           HE3      MET  45 -22.144   0.056  -4.734
  355    H    GLY  46           H        GLY  46 -20.662  -4.007  -6.126
  356    HA2  GLY  46           HA2      GLY  46 -18.468  -3.196  -4.329
  357    HA3  GLY  46           HA3      GLY  46 -18.026  -4.354  -5.599
  358    H    LYS  47           H        LYS  47 -16.696  -2.210  -5.744
  359    HA   LYS  47           HA       LYS  47 -17.885  -0.737  -8.064
  360    HB2  LYS  47           HB2      LYS  47 -17.218   0.612  -5.931
  361    HB3  LYS  47           HB3      LYS  47 -15.559   0.208  -6.340
  362    HG2  LYS  47           HG2      LYS  47 -15.854   2.310  -7.334
  363    HG3  LYS  47           HG3      LYS  47 -16.126   1.215  -8.690
  364    HD2  LYS  47           HD2      LYS  47 -17.889   2.784  -8.842
  365    HD3  LYS  47           HD3      LYS  47 -18.633   1.363  -8.119
  366    HE2  LYS  47           HE2      LYS  47 -18.606   2.352  -5.918
  367    HE3  LYS  47           HE3      LYS  47 -17.587   3.691  -6.463
  368    HZ1  LYS  47           HZ1      LYS  47 -19.385   4.535  -7.759
  369    HZ2  LYS  47           HZ2      LYS  47 -20.320   3.224  -7.522
  370    HZ3  LYS  47           HZ3      LYS  47 -19.988   4.242  -6.275
  371    H    TRP  48           H        TRP  48 -17.022  -1.369  -9.921
  372    HA   TRP  48           HA       TRP  48 -14.546  -2.941 -10.073
  373    HB2  TRP  48           HB2      TRP  48 -16.561  -3.354 -11.499
  374    HB3  TRP  48           HB3      TRP  48 -16.350  -1.781 -12.233
  375    HD1  TRP  48           HD1      TRP  48 -12.938  -2.842 -12.141
  376    HE1  TRP  48           HE1      TRP  48 -12.183  -4.136 -14.155
  377    HE3  TRP  48           HE3      TRP  48 -17.538  -3.848 -14.181
  378    HZ2  TRP  48           HZ2      TRP  48 -13.407  -5.609 -16.346
  379    HZ3  TRP  48           HZ3      TRP  48 -17.692  -5.247 -16.229
  380    HH2  TRP  48           HH2      TRP  48 -15.630  -6.141 -17.298
  381    H    LYS  49           H        LYS  49 -12.766  -1.794  -9.636
  382    HA   LYS  49           HA       LYS  49 -12.525   1.084 -10.089
  383    HB2  LYS  49           HB2      LYS  49 -10.466  -0.924  -9.067
  384    HB3  LYS  49           HB3      LYS  49 -10.446   0.821  -8.833
  385    HG2  LYS  49           HG2      LYS  49 -12.459  -1.135  -7.624
  386    HG3  LYS  49           HG3      LYS  49 -11.044  -0.524  -6.809
  387    HD2  LYS  49           HD2      LYS  49 -13.268   1.319  -7.799
  388    HD3  LYS  49           HD3      LYS  49 -13.247   0.538  -6.215
  389    HE2  LYS  49           HE2      LYS  49 -10.847   1.536  -5.978
  390    HE3  LYS  49           HE3      LYS  49 -11.341   2.637  -7.276
  391    HZ1  LYS  49           HZ1      LYS  49 -13.141   3.401  -5.880
  392    HZ2  LYS  49           HZ2      LYS  49 -12.793   2.256  -4.712
  393    HZ3  LYS  49           HZ3      LYS  49 -11.757   3.492  -5.017
  394    H    LYS  50           H        LYS  50 -12.930   0.287 -12.508
  395    HA   LYS  50           HA       LYS  50 -11.017  -1.345 -13.864
  396    HB2  LYS  50           HB2      LYS  50 -13.372  -0.940 -14.559
  397    HB3  LYS  50           HB3      LYS  50 -12.971   0.726 -14.980
  398    HG2  LYS  50           HG2      LYS  50 -11.432  -0.040 -16.728
  399    HG3  LYS  50           HG3      LYS  50 -11.677  -1.728 -16.262
  400    HD2  LYS  50           HD2      LYS  50 -13.857   0.127 -17.332
  401    HD3  LYS  50           HD3      LYS  50 -12.928  -1.022 -18.309
  402    HE2  LYS  50           HE2      LYS  50 -13.746  -2.891 -16.861
  403    HE3  LYS  50           HE3      LYS  50 -14.751  -1.747 -15.967
  404    HZ1  LYS  50           HZ1      LYS  50 -15.942  -1.292 -18.046
  405    HZ2  LYS  50           HZ2      LYS  50 -15.015  -2.370 -18.854
  406    HZ3  LYS  50           HZ3      LYS  50 -16.013  -2.880 -17.671
  407    H    LYS  51           H        LYS  51  -9.178  -0.806 -15.126
  408    HA   LYS  51           HA       LYS  51  -8.234   2.031 -14.947
  409    HB2  LYS  51           HB2      LYS  51  -7.364   0.196 -13.284
  410    HB3  LYS  51           HB3      LYS  51  -6.442  -0.402 -14.664
  411    HG2  LYS  51           HG2      LYS  51  -5.396   1.869 -14.888
  412    HG3  LYS  51           HG3      LYS  51  -6.358   2.428 -13.507
  413    HD2  LYS  51           HD2      LYS  51  -5.271   0.507 -12.178
  414    HD3  LYS  51           HD3      LYS  51  -4.165   0.310 -13.535
  415    HE2  LYS  51           HE2      LYS  51  -4.543   2.815 -11.821
  416    HE3  LYS  51           HE3      LYS  51  -3.186   1.691 -11.734
  417    HZ1  LYS  51           HZ1      LYS  51  -3.838   3.439 -14.041
  418    HZ2  LYS  51           HZ2      LYS  51  -2.589   3.621 -13.004
  419    HZ3  LYS  51           HZ3      LYS  51  -2.606   2.342 -14.014
  420    H    SER  52           H        SER  52  -9.596   0.629 -17.198
  421    HA   SER  52           HA       SER  52  -7.426   0.643 -19.246
  422    HB2  SER  52           HB2      SER  52  -9.574  -1.485 -18.934
  423    HB3  SER  52           HB3      SER  52  -8.204  -1.505 -20.059
  424    HG   SER  52           HG       SER  52  -7.802  -2.822 -18.256
  425    H    ARG  53           H        ARG  53  -9.956   2.452 -18.628
  426    HA   ARG  53           HA       ARG  53 -11.726   1.849 -20.882
  427    HB2  ARG  53           HB2      ARG  53 -12.435   2.689 -18.579
  428    HB3  ARG  53           HB3      ARG  53 -11.812   4.275 -19.061
  429    HG2  ARG  53           HG2      ARG  53 -13.407   4.174 -21.059
  430    HG3  ARG  53           HG3      ARG  53 -14.046   2.662 -20.385
  431    HD2  ARG  53           HD2      ARG  53 -14.639   3.894 -18.288
  432    HD3  ARG  53           HD3      ARG  53 -14.032   5.390 -19.033
  433    HE   ARG  53           HE       ARG  53 -15.995   4.133 -20.705
  434   HH11  ARG  53          HH11      ARG  53 -15.708   6.123 -17.744
  435   HH12  ARG  53          HH12      ARG  53 -17.308   6.768 -17.892
  436   HH21  ARG  53          HH21      ARG  53 -18.100   5.029 -20.880
  437   HH22  ARG  53          HH22      ARG  53 -18.682   6.146 -19.707
  438    H    LYS  54           H        LYS  54  -9.546   2.074 -22.203
  439    HA   LYS  54           HA       LYS  54  -8.141   3.156 -23.596
  440    HB2  LYS  54           HB2      LYS  54 -10.446   5.091 -24.038
  441    HB3  LYS  54           HB3      LYS  54  -9.031   4.891 -25.075
  442    HG2  LYS  54           HG2      LYS  54  -9.664   2.497 -25.450
  443    HG3  LYS  54           HG3      LYS  54 -11.156   2.768 -24.541
  444    HD2  LYS  54           HD2      LYS  54 -10.347   4.227 -27.094
  445    HD3  LYS  54           HD3      LYS  54 -11.481   2.873 -26.992
  446    HE2  LYS  54           HE2      LYS  54 -12.960   4.223 -25.509
  447    HE3  LYS  54           HE3      LYS  54 -11.847   5.590 -25.649
  448    HZ1  LYS  54           HZ1      LYS  54 -12.299   5.629 -28.033
  449    HZ2  LYS  54           HZ2      LYS  54 -13.332   4.368 -27.903
  450    HZ3  LYS  54           HZ3      LYS  54 -13.684   5.790 -27.193
  451    H    THR  55           H        THR  55  -8.022   3.809 -20.771
  452    HA   THR  55           HA       THR  55  -6.066   5.879 -20.975
  453    HB   THR  55           HB       THR  55  -8.033   7.322 -20.585
  454    HG1  THR  55           HG1      THR  55  -6.290   8.072 -19.566
  455   HG21  THR  55          HG21      THR  55  -9.326   7.236 -18.505
  456   HG22  THR  55          HG22      THR  55  -9.589   5.772 -19.453
  457   HG23  THR  55          HG23      THR  55  -8.530   5.720 -18.034
  458    H    SER  56           H        SER  56  -4.698   5.772 -19.066
  459    HA   SER  56           HA       SER  56  -4.804   3.247 -17.566
  460    HB2  SER  56           HB2      SER  56  -2.869   5.592 -17.353
  461    HB3  SER  56           HB3      SER  56  -2.638   3.953 -16.721
  462    HG   SER  56           HG       SER  56  -1.545   4.300 -18.715
  463    H    THR  57           H        THR  57  -6.287   6.303 -17.261
  464    HA   THR  57           HA       THR  57  -6.059   6.725 -14.435
  465    HB   THR  57           HB       THR  57  -8.366   7.562 -16.226
  466    HG1  THR  57           HG1      THR  57  -6.691   8.246 -17.373
  467   HG21  THR  57          HG21      THR  57  -8.339   9.601 -14.808
  468   HG22  THR  57          HG22      THR  57  -8.621   8.150 -13.844
  469   HG23  THR  57          HG23      THR  57  -7.016   8.911 -13.839
  470    H    ILE  58           H        ILE  58  -7.419   6.026 -12.748
  471    HA   ILE  58           HA       ILE  58  -8.945   3.604 -13.095
  472    HB   ILE  58           HB       ILE  58  -8.570   5.599 -10.857
  473   HG12  ILE  58          HG12      ILE  58  -6.714   3.975 -11.566
  474   HG13  ILE  58          HG13      ILE  58  -7.144   4.030  -9.859
  475   HG21  ILE  58          HG21      ILE  58 -10.790   4.796 -10.426
  476   HG22  ILE  58          HG22      ILE  58 -10.328   3.116 -10.755
  477   HG23  ILE  58          HG23      ILE  58  -9.700   3.962  -9.319
  478   HD11  ILE  58          HD11      ILE  58  -6.732   1.735 -10.707
  479   HD12  ILE  58          HD12      ILE  58  -8.354   1.918 -10.039
  480   HD13  ILE  58          HD13      ILE  58  -8.119   1.902 -11.804
  481    H    GLU  59           H        GLU  59 -11.091   3.326 -13.240
  482    HA   GLU  59           HA       GLU  59 -13.002   5.594 -13.325
  483    HB2  GLU  59           HB2      GLU  59 -12.778   3.094 -15.077
  484    HB3  GLU  59           HB3      GLU  59 -14.209   4.114 -15.022
  485    HG2  GLU  59           HG2      GLU  59 -11.450   5.126 -15.866
  486    HG3  GLU  59           HG3      GLU  59 -12.641   4.463 -16.960
  487    H    GLU  60           H        GLU  60 -15.086   4.897 -12.443
  488    HA   GLU  60           HA       GLU  60 -14.864   2.525 -10.635
  489    HB2  GLU  60           HB2      GLU  60 -15.742   5.380 -10.037
  490    HB3  GLU  60           HB3      GLU  60 -15.992   4.012  -8.956
  491    HG2  GLU  60           HG2      GLU  60 -13.487   3.591  -9.029
  492    HG3  GLU  60           HG3      GLU  60 -13.323   5.127  -9.888
  493    H    LYS  61           H        LYS  61 -16.221   1.135 -11.602
  494    HA   LYS  61           HA       LYS  61 -18.920   2.062 -12.491
  495    HB2  LYS  61           HB2      LYS  61 -16.918   0.008 -13.378
  496    HB3  LYS  61           HB3      LYS  61 -18.605  -0.477 -13.494
  497    HG2  LYS  61           HG2      LYS  61 -17.568   2.144 -14.638
  498    HG3  LYS  61           HG3      LYS  61 -17.555   0.622 -15.531
  499    HD2  LYS  61           HD2      LYS  61 -20.196   0.857 -14.441
  500    HD3  LYS  61           HD3      LYS  61 -19.776   2.462 -15.070
  501    HE2  LYS  61           HE2      LYS  61 -19.183   1.457 -17.251
  502    HE3  LYS  61           HE3      LYS  61 -19.482  -0.164 -16.588
  503    HZ1  LYS  61           HZ1      LYS  61 -21.569   1.923 -16.832
  504    HZ2  LYS  61           HZ2      LYS  61 -21.370   0.669 -17.871
  505    HZ3  LYS  61           HZ3      LYS  61 -21.778   0.351 -16.336
  506    H    THR  62           H        THR  62 -20.383   1.834 -10.848
  507    HA   THR  62           HA       THR  62 -20.134  -0.042  -8.738
  508    HB   THR  62           HB       THR  62 -22.750   1.159  -9.697
  509    HG1  THR  62           HG1      THR  62 -22.116   3.090  -9.089
  510   HG21  THR  62          HG21      THR  62 -21.535   0.785  -6.915
  511   HG22  THR  62          HG22      THR  62 -23.174   1.372  -7.283
  512   HG23  THR  62          HG23      THR  62 -22.728  -0.302  -7.650
  513    H    VAL  63           H        VAL  63 -20.694  -2.114  -8.532
  514    HA   VAL  63           HA       VAL  63 -22.383  -3.399 -10.633
  515    HB   VAL  63           HB       VAL  63 -20.724  -5.306 -10.605
  516   HG11  VAL  63          HG11      VAL  63 -20.952  -3.773 -12.523
  517   HG12  VAL  63          HG12      VAL  63 -19.712  -2.710 -11.829
  518   HG13  VAL  63          HG13      VAL  63 -19.293  -4.358 -12.332
  519   HG21  VAL  63          HG21      VAL  63 -19.365  -4.648  -8.628
  520   HG22  VAL  63          HG22      VAL  63 -18.383  -4.879 -10.081
  521   HG23  VAL  63          HG23      VAL  63 -18.758  -3.239  -9.526
  522    H    GLU  64           H        GLU  64 -23.477  -5.234 -10.042
  523    HA   GLU  64           HA       GLU  64 -23.541  -5.906  -7.126
  524    HB2  GLU  64           HB2      GLU  64 -25.726  -5.283  -8.121
  525    HB3  GLU  64           HB3      GLU  64 -25.533  -6.533  -9.352
  526    HG2  GLU  64           HG2      GLU  64 -25.535  -8.275  -7.590
  527    HG3  GLU  64           HG3      GLU  64 -25.619  -7.026  -6.346
  528    H    VAL  65           H        VAL  65 -22.511  -7.826  -6.657
  529    HA   VAL  65           HA       VAL  65 -21.256  -9.273  -8.923
  530    HB   VAL  65           HB       VAL  65 -20.524  -9.420  -5.977
  531   HG11  VAL  65          HG11      VAL  65 -19.004  -9.997  -8.561
  532   HG12  VAL  65          HG12      VAL  65 -18.332 -10.154  -6.927
  533   HG13  VAL  65          HG13      VAL  65 -19.651 -11.215  -7.440
  534   HG21  VAL  65          HG21      VAL  65 -18.680  -7.822  -6.435
  535   HG22  VAL  65          HG22      VAL  65 -19.379  -7.472  -8.026
  536   HG23  VAL  65          HG23      VAL  65 -20.260  -7.056  -6.542
  537    H    LEU  66           H        LEU  66 -22.273 -11.114  -9.503
  538    HA   LEU  66           HA       LEU  66 -24.468 -12.078  -7.836
  539    HB2  LEU  66           HB2      LEU  66 -23.456 -13.134 -10.513
  540    HB3  LEU  66           HB3      LEU  66 -24.912 -13.629  -9.689
  541    HG   LEU  66           HG       LEU  66 -25.698 -12.268 -11.346
  542   HD11  LEU  66          HD11      LEU  66 -25.493 -10.314  -9.020
  543   HD12  LEU  66          HD12      LEU  66 -26.703 -10.322 -10.314
  544   HD13  LEU  66          HD13      LEU  66 -26.665 -11.648  -9.140
  545   HD21  LEU  66          HD21      LEU  66 -23.658 -10.101 -10.749
  546   HD22  LEU  66          HD22      LEU  66 -23.540 -11.299 -12.058
  547   HD23  LEU  66          HD23      LEU  66 -24.863 -10.130 -12.044
  548    H    GLY  67           H        GLY  67 -21.163 -13.155  -8.562
  549    HA2  GLY  67           HA2      GLY  67 -20.716 -14.913  -6.542
  550    HA3  GLY  67           HA3      GLY  67 -21.582 -15.886  -7.755
  551    H    MET  68           H        MET  68 -19.272 -16.859  -7.595
  552    HA   MET  68           HA       MET  68 -17.134 -15.608  -9.101
  553    HB2  MET  68           HB2      MET  68 -17.704 -18.537  -8.473
  554    HB3  MET  68           HB3      MET  68 -16.245 -17.942  -9.262
  555    HG2  MET  68           HG2      MET  68 -17.145 -17.215  -6.458
  556    HG3  MET  68           HG3      MET  68 -15.892 -18.378  -6.870
  557    HE1  MET  68           HE1      MET  68 -13.498 -17.846  -7.666
  558    HE2  MET  68           HE2      MET  68 -14.151 -17.071  -9.130
  559    HE3  MET  68           HE3      MET  68 -12.940 -16.230  -8.149
  560    H    ALA  69           H        ALA  69 -16.422 -16.162 -11.179
  561    HA   ALA  69           HA       ALA  69 -18.428 -16.535 -13.251
  562    HB1  ALA  69           HB1      ALA  69 -16.488 -16.322 -14.725
  563    HB2  ALA  69           HB2      ALA  69 -16.346 -15.137 -13.431
  564    HB3  ALA  69           HB3      ALA  69 -15.391 -16.640 -13.372
  565    HA   PRO  70           HA       PRO  70 -18.198 -20.996 -13.880
  566    HB2  PRO  70           HB2      PRO  70 -16.796 -20.444 -16.504
  567    HB3  PRO  70           HB3      PRO  70 -18.121 -21.602 -16.159
  568    HG2  PRO  70           HG2      PRO  70 -18.689 -19.229 -17.320
  569    HG3  PRO  70           HG3      PRO  70 -19.721 -19.820 -15.976
  570    HD2  PRO  70           HD2      PRO  70 -17.478 -17.803 -15.885
  571    HD3  PRO  70           HD3      PRO  70 -19.093 -17.715 -15.113
  572    H    ASP  71           H        ASP  71 -16.730 -22.725 -13.608
  573    HA   ASP  71           HA       ASP  71 -14.223 -22.141 -12.475
  574    HB2  ASP  71           HB2      ASP  71 -13.899 -24.418 -12.215
  575    HB3  ASP  71           HB3      ASP  71 -15.645 -24.236 -12.143
  576    H    ASP  72           H        ASP  72 -15.127 -22.717 -15.828
  577    HA   ASP  72           HA       ASP  72 -12.544 -23.302 -16.887
  578    HB2  ASP  72           HB2      ASP  72 -14.634 -23.693 -18.118
  579    HB3  ASP  72           HB3      ASP  72 -14.938 -21.954 -18.186
  580    H    GLU  73           H        GLU  73 -14.117 -20.225 -16.021
  581    HA   GLU  73           HA       GLU  73 -11.996 -18.570 -17.234
  582    HB2  GLU  73           HB2      GLU  73 -14.187 -17.858 -15.225
  583    HB3  GLU  73           HB3      GLU  73 -13.129 -16.723 -16.042
  584    HG2  GLU  73           HG2      GLU  73 -15.272 -18.469 -17.318
  585    HG3  GLU  73           HG3      GLU  73 -15.342 -16.733 -17.055
  586    H    CYS  74           H        CYS  74 -13.044 -19.822 -14.062
  587    HA   CYS  74           HA       CYS  74 -11.119 -18.321 -12.573
  588    HB2  CYS  74           HB2      CYS  74 -12.892 -20.658 -11.770
  589    HB3  CYS  74           HB3      CYS  74 -11.987 -19.630 -10.660
  590    HG   CYS  74           HG       CYS  74 -14.464 -18.932 -12.717
  591    H    LEU  75           H        LEU  75 -10.264 -20.665 -14.583
  592    HA   LEU  75           HA       LEU  75  -8.750 -22.413 -12.809
  593    HB2  LEU  75           HB2      LEU  75  -9.572 -22.360 -15.649
  594    HB3  LEU  75           HB3      LEU  75  -7.932 -22.943 -15.448
  595    HG   LEU  75           HG       LEU  75 -10.261 -24.046 -13.827
  596   HD11  LEU  75          HD11      LEU  75 -10.288 -25.934 -15.402
  597   HD12  LEU  75          HD12      LEU  75 -10.684 -24.413 -16.213
  598   HD13  LEU  75          HD13      LEU  75  -9.067 -25.124 -16.414
  599   HD21  LEU  75          HD21      LEU  75  -8.755 -25.957 -13.448
  600   HD22  LEU  75          HD22      LEU  75  -7.489 -25.167 -14.412
  601   HD23  LEU  75          HD23      LEU  75  -7.999 -24.473 -12.863
  602    H    LYS  76           H        LYS  76  -8.114 -19.323 -13.906
  603    HA   LYS  76           HA       LYS  76  -5.185 -19.725 -13.580
  604    HB2  LYS  76           HB2      LYS  76  -4.726 -18.388 -15.577
  605    HB3  LYS  76           HB3      LYS  76  -5.579 -19.885 -15.958
  606    HG2  LYS  76           HG2      LYS  76  -7.717 -18.598 -16.169
  607    HG3  LYS  76           HG3      LYS  76  -6.830 -17.099 -15.828
  608    HD2  LYS  76           HD2      LYS  76  -5.434 -17.461 -17.839
  609    HD3  LYS  76           HD3      LYS  76  -6.290 -18.986 -18.164
  610    HE2  LYS  76           HE2      LYS  76  -8.433 -17.733 -18.360
  611    HE3  LYS  76           HE3      LYS  76  -7.572 -16.217 -18.061
  612    HZ1  LYS  76           HZ1      LYS  76  -7.115 -18.005 -20.382
  613    HZ2  LYS  76           HZ2      LYS  76  -7.915 -16.588 -20.420
  614    HZ3  LYS  76           HZ3      LYS  76  -6.318 -16.604 -20.106
  615    H    ASP  77           H        ASP  77  -7.977 -17.681 -13.152
  616    HA   ASP  77           HA       ASP  77  -6.510 -15.836 -11.436
  617    HB2  ASP  77           HB2      ASP  77  -6.055 -14.918 -13.683
  618    HB3  ASP  77           HB3      ASP  77  -7.760 -14.951 -14.076
  619    H    MET  78           H        MET  78  -8.185 -14.685 -10.051
  620    HA   MET  78           HA       MET  78 -10.684 -16.217  -9.984
  621    HB2  MET  78           HB2      MET  78  -9.638 -13.963  -8.248
  622    HB3  MET  78           HB3      MET  78 -11.164 -14.793  -7.975
  623    HG2  MET  78           HG2      MET  78  -8.448 -16.164  -7.987
  624    HG3  MET  78           HG3      MET  78  -9.266 -15.561  -6.563
  625    HE1  MET  78           HE1      MET  78 -10.007 -19.548  -8.668
  626    HE2  MET  78           HE2      MET  78 -10.793 -18.234  -9.555
  627    HE3  MET  78           HE3      MET  78  -9.041 -18.198  -9.292
  628    H    TYR  79           H        TYR  79 -12.500 -15.706 -11.005
  629    HA   TYR  79           HA       TYR  79 -12.945 -12.895 -11.914
  630    HB2  TYR  79           HB2      TYR  79 -13.415 -15.557 -13.304
  631    HB3  TYR  79           HB3      TYR  79 -14.209 -14.074 -13.799
  632    HD1  TYR  79           HD2      TYR  79 -12.861 -12.118 -14.630
  633    HD2  TYR  79           HD1      TYR  79 -11.191 -16.054 -14.072
  634    HE1  TYR  79           HE2      TYR  79 -11.025 -11.550 -16.187
  635    HE2  TYR  79           HE1      TYR  79  -9.387 -15.525 -15.662
  636    HH   TYR  79           HH       TYR  79  -8.427 -13.885 -17.040
  637    H    VAL  80           H        VAL  80 -15.117 -12.195 -11.896
  638    HA   VAL  80           HA       VAL  80 -17.107 -13.930 -10.511
  639    HB   VAL  80           HB       VAL  80 -17.791 -11.834  -9.289
  640   HG11  VAL  80          HG11      VAL  80 -15.077 -12.999  -8.559
  641   HG12  VAL  80          HG12      VAL  80 -16.176 -12.117  -7.473
  642   HG13  VAL  80          HG13      VAL  80 -16.669 -13.668  -8.142
  643   HG21  VAL  80          HG21      VAL  80 -14.976 -10.833  -9.925
  644   HG22  VAL  80          HG22      VAL  80 -16.470 -10.166 -10.614
  645   HG23  VAL  80          HG23      VAL  80 -16.179 -10.064  -8.873
  646    H    GLU  81           H        GLU  81 -19.261 -13.478 -10.991
  647    HA   GLU  81           HA       GLU  81 -19.719 -12.172 -13.618
  648    HB2  GLU  81           HB2      GLU  81 -21.559 -13.665 -11.694
  649    HB3  GLU  81           HB3      GLU  81 -22.074 -12.968 -13.234
  650    HG2  GLU  81           HG2      GLU  81 -20.014 -15.175 -12.885
  651    HG3  GLU  81           HG3      GLU  81 -21.689 -15.408 -13.347
  652    H    VAL  82           H        VAL  82 -20.751 -10.188 -13.790
  653    HA   VAL  82           HA       VAL  82 -21.609  -8.830 -11.307
  654    HB   VAL  82           HB       VAL  82 -20.309  -6.816 -12.198
  655   HG11  VAL  82          HG11      VAL  82 -18.314  -7.435 -10.977
  656   HG12  VAL  82          HG12      VAL  82 -19.746  -8.073 -10.163
  657   HG13  VAL  82          HG13      VAL  82 -18.706  -9.162 -11.109
  658   HG21  VAL  82          HG21      VAL  82 -19.664  -7.751 -14.432
  659   HG22  VAL  82          HG22      VAL  82 -18.304  -7.161 -13.479
  660   HG23  VAL  82          HG23      VAL  82 -18.599  -8.908 -13.604
  661    H    ALA  83           H        ALA  83 -23.295  -7.529 -11.538
  662    HA   ALA  83           HA       ALA  83 -24.427  -7.143 -14.279
  663    HB1  ALA  83           HB1      ALA  83 -25.754  -7.007 -11.549
  664    HB2  ALA  83           HB2      ALA  83 -26.529  -6.590 -13.096
  665    HB3  ALA  83           HB3      ALA  83 -25.998  -8.253 -12.799
  666    H    ASP  84           H        ASP  84 -24.590  -5.082 -15.044
  667    HA   ASP  84           HA       ASP  84 -22.839  -3.128 -13.757
  668    HB2  ASP  84           HB2      ASP  84 -22.646  -3.680 -16.129
  669    HB3  ASP  84           HB3      ASP  84 -24.322  -3.170 -16.400
  670    H    ILE  85           H        ILE  85 -24.556  -3.104 -11.936
  671    HA   ILE  85           HA       ILE  85 -26.933  -1.575 -12.277
  672    HB   ILE  85           HB       ILE  85 -26.921  -1.257  -9.880
  673   HG12  ILE  85          HG12      ILE  85 -24.185  -2.547  -9.816
  674   HG13  ILE  85          HG13      ILE  85 -24.475  -0.827  -9.567
  675   HG21  ILE  85          HG21      ILE  85 -27.149  -3.582  -9.285
  676   HG22  ILE  85          HG22      ILE  85 -27.599  -3.432 -10.980
  677   HG23  ILE  85          HG23      ILE  85 -26.008  -4.092 -10.547
  678   HD11  ILE  85          HD11      ILE  85 -25.819  -1.306  -7.562
  679   HD12  ILE  85          HD12      ILE  85 -25.552  -3.049  -7.778
  680   HD13  ILE  85          HD13      ILE  85 -24.189  -1.997  -7.423
  681    H    GLY  86           H        GLY  86 -23.648  -0.519 -12.378
  682    HA2  GLY  86           HA2      GLY  86 -24.229   2.314 -11.941
  683    HA3  GLY  86           HA3      GLY  86 -22.701   1.570 -12.436
  684    H    GLY  87           H        GLY  87 -24.979   0.250 -14.523
  685    HA2  GLY  87           HA2      GLY  87 -25.226   2.532 -16.377
  686    HA3  GLY  87           HA3      GLY  87 -24.173   1.205 -16.878
  687    H    LYS  88           H        LYS  88 -25.081  -0.846 -17.385
  688    HA   LYS  88           HA       LYS  88 -27.553  -0.640 -18.751
  689    HB2  LYS  88           HB2      LYS  88 -26.221  -3.229 -17.828
  690    HB3  LYS  88           HB3      LYS  88 -27.428  -3.067 -19.093
  691    HG2  LYS  88           HG2      LYS  88 -24.556  -2.111 -19.172
  692    HG3  LYS  88           HG3      LYS  88 -25.323  -3.386 -20.122
  693    HD2  LYS  88           HD2      LYS  88 -26.841  -1.571 -21.113
  694    HD3  LYS  88           HD3      LYS  88 -25.769  -0.381 -20.364
  695    HE2  LYS  88           HE2      LYS  88 -25.037  -2.485 -22.445
  696    HE3  LYS  88           HE3      LYS  88 -25.176  -0.744 -22.710
  697    HZ1  LYS  88           HZ1      LYS  88 -23.128  -2.126 -21.085
  698    HZ2  LYS  88           HZ2      LYS  88 -22.891  -1.316 -22.479
  699    HZ3  LYS  88           HZ3      LYS  88 -23.289  -0.483 -21.134
  700    H    ASP  89           H        ASP  89 -26.895  -1.843 -15.528
  701    HA   ASP  89           HA       ASP  89 -28.010  -2.609 -13.813
  702    HB2  ASP  89           HB2      ASP  89 -29.084  -0.424 -13.914
  703    HB3  ASP  89           HB3      ASP  89 -30.337  -1.061 -14.982
  704    H    ASP  90           H        ASP  90 -29.519  -3.409 -16.837
  705    HA   ASP  90           HA       ASP  90 -30.892  -5.772 -15.668
  706    HB2  ASP  90           HB2      ASP  90 -32.199  -3.924 -16.750
  707    HB3  ASP  90           HB3      ASP  90 -31.317  -4.242 -18.248
  708    H    ASP  91           H        ASP  91 -27.977  -5.324 -16.817
  709    HA   ASP  91           HA       ASP  91 -27.928  -7.868 -18.320
  710    HB2  ASP  91           HB2      ASP  91 -27.855  -5.886 -19.949
  711    HB3  ASP  91           HB3      ASP  91 -26.267  -5.527 -19.246
  712    H    VAL  92           H        VAL  92 -25.736  -8.734 -18.464
  713    HA   VAL  92           HA       VAL  92 -24.136  -8.200 -16.030
  714    HB   VAL  92           HB       VAL  92 -25.884  -9.788 -15.492
  715   HG11  VAL  92          HG11      VAL  92 -26.433 -10.706 -17.698
  716   HG12  VAL  92          HG12      VAL  92 -24.869 -11.551 -17.756
  717   HG13  VAL  92          HG13      VAL  92 -26.091 -11.997 -16.549
  718   HG21  VAL  92          HG21      VAL  92 -23.742 -10.190 -14.397
  719   HG22  VAL  92          HG22      VAL  92 -24.624 -11.690 -14.659
  720   HG23  VAL  92          HG23      VAL  92 -23.250 -11.289 -15.706
  721    H    TYR  93           H        TYR  93 -22.058  -8.946 -16.043
  722    HA   TYR  93           HA       TYR  93 -20.776  -9.871 -18.553
  723    HB2  TYR  93           HB2      TYR  93 -19.912  -7.484 -16.853
  724    HB3  TYR  93           HB3      TYR  93 -19.092  -8.088 -18.278
  725    HD1  TYR  93           HD1      TYR  93 -20.032  -7.742 -20.551
  726    HD2  TYR  93           HD2      TYR  93 -21.869  -6.034 -17.038
  727    HE1  TYR  93           HE1      TYR  93 -21.256  -6.138 -21.980
  728    HE2  TYR  93           HE2      TYR  93 -23.115  -4.438 -18.462
  729    HH   TYR  93           HH       TYR  93 -22.754  -4.390 -22.046
  730    H    THR  94           H        THR  94 -18.200  -9.896 -17.714
  731    HA   THR  94           HA       THR  94 -18.100 -11.194 -15.039
  732    HB   THR  94           HB       THR  94 -16.401 -11.867 -17.468
  733    HG1  THR  94           HG1      THR  94 -18.489 -13.433 -16.359
  734   HG21  THR  94          HG21      THR  94 -16.651 -13.209 -14.748
  735   HG22  THR  94          HG22      THR  94 -15.794 -13.907 -16.143
  736   HG23  THR  94          HG23      THR  94 -15.224 -12.400 -15.419
  737    H    ALA  95           H        ALA  95 -16.263 -10.593 -13.813
  738    HA   ALA  95           HA       ALA  95 -14.374  -8.622 -14.969
  739    HB1  ALA  95           HB1      ALA  95 -16.028  -7.229 -13.835
  740    HB2  ALA  95           HB2      ALA  95 -15.929  -8.241 -12.372
  741    HB3  ALA  95           HB3      ALA  95 -14.541  -7.252 -12.876
  742    H    LYS  96           H        LYS  96 -12.379  -8.542 -13.849
  743    HA   LYS  96           HA       LYS  96 -11.559 -11.055 -12.549
  744    HB2  LYS  96           HB2      LYS  96  -9.395  -9.580 -12.270
  745    HB3  LYS  96           HB3      LYS  96  -9.760 -10.360 -13.791
  746    HG2  LYS  96           HG2      LYS  96 -10.733  -7.534 -13.426
  747    HG3  LYS  96           HG3      LYS  96  -9.001  -7.798 -13.636
  748    HD2  LYS  96           HD2      LYS  96  -9.252  -8.729 -15.790
  749    HD3  LYS  96           HD3      LYS  96 -10.967  -9.034 -15.578
  750    HE2  LYS  96           HE2      LYS  96 -10.578  -7.198 -17.131
  751    HE3  LYS  96           HE3      LYS  96 -11.515  -6.672 -15.737
  752    HZ1  LYS  96           HZ1      LYS  96  -8.596  -6.233 -15.825
  753    HZ2  LYS  96           HZ2      LYS  96  -9.627  -5.210 -16.561
  754    HZ3  LYS  96           HZ3      LYS  96  -9.745  -5.397 -14.961
  755    H    LEU  97           H        LEU  97 -11.546 -11.313 -10.359
  756    HA   LEU  97           HA       LEU  97 -12.884  -9.420  -8.690
  757    HB2  LEU  97           HB2      LEU  97 -12.767 -11.867  -8.262
  758    HB3  LEU  97           HB3      LEU  97 -11.033 -11.729  -7.956
  759    HG   LEU  97           HG       LEU  97 -11.464 -10.316  -5.971
  760   HD11  LEU  97          HD11      LEU  97 -14.409 -10.706  -6.692
  761   HD12  LEU  97          HD12      LEU  97 -13.839 -10.119  -5.121
  762   HD13  LEU  97          HD13      LEU  97 -13.533  -9.164  -6.566
  763   HD21  LEU  97          HD21      LEU  97 -11.362 -12.784  -5.784
  764   HD22  LEU  97          HD22      LEU  97 -12.416 -12.068  -4.562
  765   HD23  LEU  97          HD23      LEU  97 -13.128 -12.862  -5.985
  766    H    SER  98           H        SER  98  -9.485  -9.950  -9.496
  767    HA   SER  98           HA       SER  98  -8.048  -8.394  -7.761
  768    HB2  SER  98           HB2      SER  98  -7.692  -8.345 -10.772
  769    HB3  SER  98           HB3      SER  98  -6.446  -8.390  -9.516
  770    HG   SER  98           HG       SER  98  -6.876 -10.427 -10.645
  771    H    ASP  99           H        ASP  99 -10.412  -7.270 -10.149
  772    HA   ASP  99           HA       ASP  99  -9.301  -4.524 -10.077
  773    HB2  ASP  99           HB2      ASP  99  -9.479  -6.023 -12.171
  774    HB3  ASP  99           HB3      ASP  99 -11.222  -5.735 -12.083
  775    H    ILE 100           H        ILE 100 -11.343  -6.062  -8.293
  776    HA   ILE 100           HA       ILE 100 -13.436  -3.939  -8.264
  777    HB   ILE 100           HB       ILE 100 -13.610  -6.907  -8.263
  778   HG12  ILE 100          HG12      ILE 100 -15.556  -4.686  -9.019
  779   HG13  ILE 100          HG13      ILE 100 -14.321  -5.355 -10.104
  780   HG21  ILE 100          HG21      ILE 100 -14.439  -6.523  -5.960
  781   HG22  ILE 100          HG22      ILE 100 -15.653  -5.385  -6.601
  782   HG23  ILE 100          HG23      ILE 100 -15.690  -7.105  -7.039
  783   HD11  ILE 100          HD11      ILE 100 -16.393  -6.335 -10.684
  784   HD12  ILE 100          HD12      ILE 100 -15.453  -7.603  -9.865
  785   HD13  ILE 100          HD13      ILE 100 -16.777  -6.761  -9.010
  786    H    GLU 101           H        GLU 101 -14.287  -3.367  -6.361
  787    HA   GLU 101           HA       GLU 101 -12.764  -3.927  -3.858
  788    HB2  GLU 101           HB2      GLU 101 -12.191  -1.706  -4.694
  789    HB3  GLU 101           HB3      GLU 101 -13.901  -1.307  -4.933
  790    HG2  GLU 101           HG2      GLU 101 -14.318  -1.324  -2.547
  791    HG3  GLU 101           HG3      GLU 101 -12.724  -2.005  -2.222
  792    H    ALA 102           H        ALA 102 -14.115  -4.931  -2.470
  793    HA   ALA 102           HA       ALA 102 -16.955  -5.220  -3.118
  794    HB1  ALA 102           HB1      ALA 102 -15.581  -7.066  -2.163
  795    HB2  ALA 102           HB2      ALA 102 -15.416  -6.147  -0.649
  796    HB3  ALA 102           HB3      ALA 102 -17.018  -6.697  -1.193
  797    H    ILE 103           H        ILE 103 -18.650  -4.243  -2.132
  798    HA   ILE 103           HA       ILE 103 -18.141  -2.232   0.023
  799    HB   ILE 103           HB       ILE 103 -19.721  -2.055  -2.552
  800   HG12  ILE 103          HG12      ILE 103 -17.578  -0.228  -1.364
  801   HG13  ILE 103          HG13      ILE 103 -17.255  -1.491  -2.551
  802   HG21  ILE 103          HG21      ILE 103 -21.183  -1.135  -0.788
  803   HG22  ILE 103          HG22      ILE 103 -19.864  -0.077  -0.233
  804   HG23  ILE 103          HG23      ILE 103 -20.607   0.136  -1.835
  805   HD11  ILE 103          HD11      ILE 103 -17.363   0.589  -3.685
  806   HD12  ILE 103          HD12      ILE 103 -18.770  -0.397  -4.161
  807   HD13  ILE 103          HD13      ILE 103 -18.958   0.967  -3.025
  808    H    ASP 104           H        ASP 104 -19.509  -2.245   1.684
  809    HA   ASP 104           HA       ASP 104 -21.089  -2.874   3.128
  810    HB2  ASP 104           HB2      ASP 104 -22.310  -1.368   1.600
  811    HB3  ASP 104           HB3      ASP 104 -22.891  -2.763   0.691
  812    H    VAL 105           H        VAL 105 -19.576  -5.073   2.202
  813    HA   VAL 105           HA       VAL 105 -21.565  -7.279   2.252
  814    HB   VAL 105           HB       VAL 105 -19.887  -6.997   0.335
  815   HG11  VAL 105          HG11      VAL 105 -17.710  -8.048   0.566
  816   HG12  VAL 105          HG12      VAL 105 -17.819  -6.619   1.606
  817   HG13  VAL 105          HG13      VAL 105 -17.954  -8.247   2.303
  818   HG21  VAL 105          HG21      VAL 105 -19.820  -9.319  -0.044
  819   HG22  VAL 105          HG22      VAL 105 -20.048  -9.695   1.679
  820   HG23  VAL 105          HG23      VAL 105 -21.348  -8.939   0.756
  821    H    ASP 106           H        ASP 106 -20.752  -9.308   3.437
  822    HA   ASP 106           HA       ASP 106 -20.385  -8.576   6.199
  823    HB2  ASP 106           HB2      ASP 106 -21.295 -10.524   6.593
  824    HB3  ASP 106           HB3      ASP 106 -21.479 -10.775   4.860
  825    H    ASP 107           H        ASP 107 -18.728  -9.486   7.584
  826    HA   ASP 107           HA       ASP 107 -16.184  -8.612   6.811
  827    HB2  ASP 107           HB2      ASP 107 -16.955  -8.705   9.132
  828    HB3  ASP 107           HB3      ASP 107 -17.035 -10.467   9.065
  829    H    ASP 108           H        ASP 108 -17.517 -11.983   6.776
  830    HA   ASP 108           HA       ASP 108 -14.888 -13.123   6.414
  831    HB2  ASP 108           HB2      ASP 108 -17.057 -14.243   7.323
  832    HB3  ASP 108           HB3      ASP 108 -17.466 -14.498   5.619
  833    H    THR 109           H        THR 109 -17.598 -12.273   4.216
  834    HA   THR 109           HA       THR 109 -16.414 -13.096   1.780
  835    HB   THR 109           HB       THR 109 -18.310 -10.753   2.336
  836    HG1  THR 109           HG1      THR 109 -19.191 -12.591   3.121
  837   HG21  THR 109          HG21      THR 109 -17.586 -12.294  -0.158
  838   HG22  THR 109          HG22      THR 109 -19.121 -11.443  -0.025
  839   HG23  THR 109          HG23      THR 109 -17.587 -10.544   0.075
  840    H    GLN 110           H        GLN 110 -16.306  -9.868   3.455
  841    HA   GLN 110           HA       GLN 110 -14.682  -8.629   1.528
  842    HB2  GLN 110           HB2      GLN 110 -15.994  -7.693   3.621
  843    HB3  GLN 110           HB3      GLN 110 -14.479  -7.940   4.481
  844    HG2  GLN 110           HG2      GLN 110 -14.943  -6.226   1.995
  845    HG3  GLN 110           HG3      GLN 110 -14.750  -5.629   3.635
  846   HE21  GLN 110          HE22      GLN 110 -13.091  -6.221   0.738
  847   HE22  GLN 110          HE21      GLN 110 -11.461  -6.237   1.362
  848    H    GLU 111           H        GLU 111 -13.716 -10.407   4.531
  849    HA   GLU 111           HA       GLU 111 -10.941  -9.974   4.264
  850    HB2  GLU 111           HB2      GLU 111 -12.621 -12.099   5.641
  851    HB3  GLU 111           HB3      GLU 111 -10.868 -12.155   5.712
  852    HG2  GLU 111           HG2      GLU 111 -12.441  -9.681   6.566
  853    HG3  GLU 111           HG3      GLU 111 -12.054 -11.015   7.656
  854    H    ALA 112           H        ALA 112 -13.013 -12.477   2.761
  855    HA   ALA 112           HA       ALA 112 -10.800 -14.078   1.820
  856    HB1  ALA 112           HB1      ALA 112 -12.489 -15.182   0.445
  857    HB2  ALA 112           HB2      ALA 112 -13.124 -14.934   2.079
  858    HB3  ALA 112           HB3      ALA 112 -13.654 -13.876   0.748
  859    H    ILE 113           H        ILE 113 -12.753 -11.420   0.405
  860    HA   ILE 113           HA       ILE 113 -11.487 -11.493  -2.182
  861    HB   ILE 113           HB       ILE 113 -13.043  -9.344  -0.685
  862   HG12  ILE 113          HG12      ILE 113 -13.893 -11.153  -3.002
  863   HG13  ILE 113          HG13      ILE 113 -14.203 -11.542  -1.325
  864   HG21  ILE 113          HG21      ILE 113 -12.130  -9.374  -3.597
  865   HG22  ILE 113          HG22      ILE 113 -13.308  -8.228  -2.919
  866   HG23  ILE 113          HG23      ILE 113 -11.647  -8.214  -2.347
  867   HD11  ILE 113          HD11      ILE 113 -16.187 -10.591  -2.157
  868   HD12  ILE 113          HD12      ILE 113 -15.465  -9.373  -1.089
  869   HD13  ILE 113          HD13      ILE 113 -15.343  -9.202  -2.863
  870    H    ALA 114           H        ALA 114 -10.867  -9.627   0.839
  871    HA   ALA 114           HA       ALA 114  -8.638  -8.148  -0.083
  872    HB1  ALA 114           HB1      ALA 114  -9.791  -7.756   2.088
  873    HB2  ALA 114           HB2      ALA 114  -9.128  -9.286   2.705
  874    HB3  ALA 114           HB3      ALA 114  -8.040  -7.955   2.277
  875    H    ASP 115           H        ASP 115  -8.879 -11.502   1.181
  876    HA   ASP 115           HA       ASP 115  -6.112 -11.986   1.334
  877    HB2  ASP 115           HB2      ASP 115  -8.173 -13.474   2.094
  878    HB3  ASP 115           HB3      ASP 115  -7.956 -14.235   0.524
  879    H    TRP 116           H        TRP 116  -8.343 -12.438  -1.443
  880    HA   TRP 116           HA       TRP 116  -6.408 -13.555  -3.242
  881    HB2  TRP 116           HB2      TRP 116  -8.729 -13.705  -3.822
  882    HB3  TRP 116           HB3      TRP 116  -8.964 -11.970  -3.660
  883    HD1  TRP 116           HD1      TRP 116  -8.916 -10.629  -5.804
  884    HE1  TRP 116           HE1      TRP 116  -7.962 -10.897  -8.184
  885    HE3  TRP 116           HE3      TRP 116  -6.543 -15.144  -5.268
  886    HZ2  TRP 116           HZ2      TRP 116  -6.445 -12.810  -9.662
  887    HZ3  TRP 116           HZ3      TRP 116  -5.268 -16.099  -7.153
  888    HH2  TRP 116           HH2      TRP 116  -5.236 -14.978  -9.362
  889    H    LEU 117           H        LEU 117  -7.358 -10.172  -2.516
  890    HA   LEU 117           HA       LEU 117  -5.714  -9.003  -4.535
  891    HB2  LEU 117           HB2      LEU 117  -6.819  -7.903  -1.919
  892    HB3  LEU 117           HB3      LEU 117  -5.981  -6.911  -3.103
  893    HG   LEU 117           HG       LEU 117  -8.456  -8.539  -3.836
  894   HD11  LEU 117          HD11      LEU 117  -9.088  -7.037  -2.023
  895   HD12  LEU 117          HD12      LEU 117  -8.333  -5.659  -2.858
  896   HD13  LEU 117          HD13      LEU 117  -9.760  -6.464  -3.554
  897   HD21  LEU 117          HD21      LEU 117  -8.638  -6.936  -5.685
  898   HD22  LEU 117          HD22      LEU 117  -7.169  -6.103  -5.136
  899   HD23  LEU 117          HD23      LEU 117  -7.079  -7.769  -5.739
  900    H    TYR 118           H        TYR 118  -5.088  -9.702  -1.032
  901    HA   TYR 118           HA       TYR 118  -2.450  -8.649  -0.953
  902    HB2  TYR 118           HB2      TYR 118  -3.493 -11.086   0.543
  903    HB3  TYR 118           HB3      TYR 118  -2.066 -10.153   0.945
  904    HD1  TYR 118           HD2      TYR 118  -3.373  -7.313   0.647
  905    HD2  TYR 118           HD1      TYR 118  -4.549 -10.964   2.634
  906    HE1  TYR 118           HE2      TYR 118  -4.683  -6.003   2.277
  907    HE2  TYR 118           HE1      TYR 118  -5.897  -9.666   4.239
  908    HH   TYR 118           HH       TYR 118  -6.081  -6.074   4.138
  909    H    TRP 119           H        TRP 119  -3.581 -12.025  -1.590
  910    HA   TRP 119           HA       TRP 119  -1.060 -13.193  -1.949
  911    HB2  TRP 119           HB2      TRP 119  -2.907 -14.630  -1.724
  912    HB3  TRP 119           HB3      TRP 119  -3.849 -13.781  -2.946
  913    HD1  TRP 119           HD1      TRP 119  -3.687 -14.472  -5.389
  914    HE1  TRP 119           HE1      TRP 119  -2.433 -16.209  -6.732
  915    HE3  TRP 119           HE3      TRP 119  -0.614 -16.234  -1.687
  916    HZ2  TRP 119           HZ2      TRP 119  -0.340 -18.194  -6.257
  917    HZ3  TRP 119           HZ3      TRP 119   0.997 -18.059  -2.166
  918    HH2  TRP 119           HH2      TRP 119   1.146 -19.041  -4.446
  919    H    LEU 120           H        LEU 120  -3.164 -11.576  -4.374
  920    HA   LEU 120           HA       LEU 120  -1.657 -12.366  -6.623
  921    HB2  LEU 120           HB2      LEU 120  -3.975 -11.520  -6.715
  922    HB3  LEU 120           HB3      LEU 120  -3.440  -9.933  -6.154
  923    HG   LEU 120           HG       LEU 120  -2.100  -9.643  -8.238
  924   HD11  LEU 120          HD11      LEU 120  -1.643 -12.012  -8.794
  925   HD12  LEU 120          HD12      LEU 120  -3.379 -12.292  -9.049
  926   HD13  LEU 120          HD13      LEU 120  -2.464 -11.210 -10.131
  927   HD21  LEU 120          HD21      LEU 120  -4.028  -9.343  -9.741
  928   HD22  LEU 120          HD22      LEU 120  -5.020 -10.374  -8.681
  929   HD23  LEU 120          HD23      LEU 120  -4.409  -8.812  -8.095
  930    H    ALA 121           H        ALA 121  -1.484  -9.471  -4.536
  931    HA   ALA 121           HA       ALA 121   0.649  -8.204  -6.025
  932    HB1  ALA 121           HB1      ALA 121  -0.567  -7.830  -3.259
  933    HB2  ALA 121           HB2      ALA 121   0.670  -6.742  -3.949
  934    HB3  ALA 121           HB3      ALA 121  -0.929  -6.900  -4.718
  935    H    ARG 122           H        ARG 122   0.496 -10.382  -3.182
  936    HA   ARG 122           HA       ARG 122   3.228 -10.086  -2.446
  937    HB2  ARG 122           HB2      ARG 122   1.337 -10.964  -1.013
  938    HB3  ARG 122           HB3      ARG 122   1.338 -12.444  -1.961
  939    HG2  ARG 122           HG2      ARG 122   2.463 -12.696   0.211
  940    HG3  ARG 122           HG3      ARG 122   3.578 -13.013  -1.123
  941    HD2  ARG 122           HD2      ARG 122   4.542 -10.781  -0.897
  942    HD3  ARG 122           HD3      ARG 122   3.366 -10.355   0.366
  943    HE   ARG 122           HE       ARG 122   4.592 -12.549   1.419
  944   HH11  ARG 122          HH11      ARG 122   5.823  -9.506   0.071
  945   HH12  ARG 122          HH12      ARG 122   7.323  -9.563   0.944
  946   HH21  ARG 122          HH21      ARG 122   6.401 -12.477   2.781
  947   HH22  ARG 122          HH22      ARG 122   7.671 -11.313   2.526
  948    H    GLY 123           H        GLY 123   1.729 -11.971  -4.998
  949    HA2  GLY 123           HA2      GLY 123   4.343 -13.233  -5.683
  950    HA3  GLY 123           HA3      GLY 123   2.926 -14.245  -5.373
  951    H    TYR 124           H        TYR 124   1.655 -14.714  -7.130
  952    HA   TYR 124           HA       TYR 124   1.245 -12.763  -9.245
  953    HB2  TYR 124           HB2      TYR 124   3.241 -14.147  -9.992
  954    HB3  TYR 124           HB3      TYR 124   2.221 -15.580  -9.898
  955    HD1  TYR 124           HD1      TYR 124   2.414 -12.169 -11.486
  956    HD2  TYR 124           HD2      TYR 124   0.922 -16.208 -11.831
  957    HE1  TYR 124           HE1      TYR 124   1.456 -11.622 -13.699
  958    HE2  TYR 124           HE2      TYR 124  -0.163 -15.621 -13.989
  959    HH   TYR 124           HH       TYR 124   0.229 -12.392 -15.520
  960    H    LYS 125           H        LYS 125  -0.302 -14.302 -10.862
  961    HA   LYS 125           HA       LYS 125  -2.776 -14.362  -9.489
  962    HB2  LYS 125           HB2      LYS 125  -1.996 -15.705 -12.110
  963    HB3  LYS 125           HB3      LYS 125  -3.646 -15.455 -11.522
  964    HG2  LYS 125           HG2      LYS 125  -3.354 -13.038 -11.532
  965    HG3  LYS 125           HG3      LYS 125  -1.670 -13.185 -12.064
  966    HD2  LYS 125           HD2      LYS 125  -2.393 -14.250 -14.164
  967    HD3  LYS 125           HD3      LYS 125  -4.067 -14.170 -13.651
  968    HE2  LYS 125           HE2      LYS 125  -2.238 -11.811 -14.265
  969    HE3  LYS 125           HE3      LYS 125  -3.593 -12.396 -15.234
  970    HZ1  LYS 125           HZ1      LYS 125  -4.451 -10.606 -14.051
  971    HZ2  LYS 125           HZ2      LYS 125  -4.983 -11.891 -13.159
  972    HZ3  LYS 125           HZ3      LYS 125  -3.715 -11.000 -12.650
  973    H    PHE 126           H        PHE 126  -0.840 -17.244 -10.593
  974    HA   PHE 126           HA       PHE 126  -1.384 -18.568  -8.107
  975    HB2  PHE 126           HB2      PHE 126  -2.402 -19.806 -10.694
  976    HB3  PHE 126           HB3      PHE 126  -2.171 -20.687  -9.189
  977    HD1  PHE 126           HD1      PHE 126  -3.329 -19.366  -7.023
  978    HD2  PHE 126           HD2      PHE 126  -4.612 -19.213 -11.149
  979    HE1  PHE 126           HE1      PHE 126  -5.504 -18.467  -6.341
  980    HE2  PHE 126           HE2      PHE 126  -6.863 -18.449 -10.411
  981    HZ   PHE 126           HZ       PHE 126  -7.294 -18.066  -7.981
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   3.877  -8.159  -5.124
    2    H2   MET   1           H2       MET   1   4.830  -7.120  -5.978
    3    H3   MET   1           H3       MET   1   5.488  -8.416  -5.223
    4    HA   MET   1           HA       MET   1   5.991  -6.492  -3.941
    5    HB2  MET   1           HB2      MET   1   4.143  -5.089  -4.783
    6    HB3  MET   1           HB3      MET   1   2.971  -6.056  -3.883
    7    HG2  MET   1           HG2      MET   1   4.074  -5.372  -1.753
    8    HG3  MET   1           HG3      MET   1   5.230  -4.403  -2.674
    9    HE1  MET   1           HE1      MET   1   4.545  -2.472  -0.924
   10    HE2  MET   1           HE2      MET   1   2.899  -1.817  -0.774
   11    HE3  MET   1           HE3      MET   1   3.253  -3.459  -0.197
   12    H    ALA   2           H        ALA   2   6.842  -8.154  -2.585
   13    HA   ALA   2           HA       ALA   2   5.222 -10.109  -1.333
   14    HB1  ALA   2           HB1      ALA   2   7.227 -10.588   0.021
   15    HB2  ALA   2           HB2      ALA   2   7.651 -10.358  -1.684
   16    HB3  ALA   2           HB3      ALA   2   7.965  -9.061  -0.503
   17    H    SER   3           H        SER   3   6.110  -6.840  -0.255
   18    HA   SER   3           HA       SER   3   5.773  -7.066   2.446
   19    HB2  SER   3           HB2      SER   3   5.072  -4.590   0.841
   20    HB3  SER   3           HB3      SER   3   5.839  -4.685   2.437
   21    HG   SER   3           HG       SER   3   7.369  -4.251   0.800
   22    H    VAL   4           H        VAL   4   3.145  -7.397   0.264
   23    HA   VAL   4           HA       VAL   4   1.110  -6.111   1.851
   24    HB   VAL   4           HB       VAL   4  -0.460  -7.208   0.354
   25   HG11  VAL   4          HG11      VAL   4   0.201  -6.199  -1.712
   26   HG12  VAL   4          HG12      VAL   4   0.798  -5.173  -0.403
   27   HG13  VAL   4          HG13      VAL   4   1.918  -6.241  -1.278
   28   HG21  VAL   4          HG21      VAL   4   1.943  -8.813  -0.633
   29   HG22  VAL   4          HG22      VAL   4   0.459  -9.422   0.121
   30   HG23  VAL   4          HG23      VAL   4   0.397  -8.687  -1.478
   31    H    GLU   5           H        GLU   5   2.946  -8.806   2.669
   32    HA   GLU   5           HA       GLU   5   1.068 -10.576   3.820
   33    HB2  GLU   5           HB2      GLU   5   2.847 -11.078   5.485
   34    HB3  GLU   5           HB3      GLU   5   3.356 -11.194   3.809
   35    HG2  GLU   5           HG2      GLU   5   4.550  -9.057   3.958
   36    HG3  GLU   5           HG3      GLU   5   3.937  -8.786   5.589
   37    H    ARG   6           H        ARG   6  -0.129 -10.549   5.700
   38    HA   ARG   6           HA       ARG   6  -0.258  -7.965   7.231
   39    HB2  ARG   6           HB2      ARG   6  -2.458 -10.045   6.882
   40    HB3  ARG   6           HB3      ARG   6  -2.600  -8.466   7.634
   41    HG2  ARG   6           HG2      ARG   6  -2.097  -8.972   4.663
   42    HG3  ARG   6           HG3      ARG   6  -3.655  -8.675   5.409
   43    HD2  ARG   6           HD2      ARG   6  -2.981  -6.632   4.423
   44    HD3  ARG   6           HD3      ARG   6  -2.854  -6.424   6.181
   45    HE   ARG   6           HE       ARG   6  -0.344  -7.270   5.289
   46   HH11  ARG   6          HH11      ARG   6  -2.372  -4.430   4.627
   47   HH12  ARG   6          HH12      ARG   6  -1.036  -3.425   4.202
   48   HH21  ARG   6          HH21      ARG   6   1.376  -6.000   4.802
   49   HH22  ARG   6          HH22      ARG   6   1.190  -4.346   4.310
   50    H    ASP   7           H        ASP   7  -0.761 -11.522   7.463
   51    HA   ASP   7           HA       ASP   7   0.970 -11.723   9.759
   52    HB2  ASP   7           HB2      ASP   7  -1.177 -11.125  10.873
   53    HB3  ASP   7           HB3      ASP   7  -1.999 -12.416   9.988
   54    H    GLU   8           H        GLU   8   1.803 -13.876   9.732
   55    HA   GLU   8           HA       GLU   8   1.629 -15.064   7.161
   56    HB2  GLU   8           HB2      GLU   8   2.947 -16.069   9.724
   57    HB3  GLU   8           HB3      GLU   8   3.199 -16.763   8.115
   58    HG2  GLU   8           HG2      GLU   8   4.072 -14.584   7.302
   59    HG3  GLU   8           HG3      GLU   8   3.884 -13.905   8.920
   60    H    THR   9           H        THR   9  -0.409 -15.694   9.967
   61    HA   THR   9           HA       THR   9  -1.033 -18.434   9.585
   62    HB   THR   9           HB       THR   9  -3.164 -17.755  10.599
   63    HG1  THR   9           HG1      THR   9  -2.111 -15.170  10.810
   64   HG21  THR   9          HG21      THR   9  -2.249 -16.865  12.725
   65   HG22  THR   9          HG22      THR   9  -1.428 -18.315  12.093
   66   HG23  THR   9          HG23      THR   9  -0.669 -16.721  11.911
   67    H    ARG  10           H        ARG  10  -1.901 -15.563   7.712
   68    HA   ARG  10           HA       ARG  10  -4.119 -16.724   6.294
   69    HB2  ARG  10           HB2      ARG  10  -2.066 -14.699   5.269
   70    HB3  ARG  10           HB3      ARG  10  -3.609 -15.079   4.518
   71    HG2  ARG  10           HG2      ARG  10  -3.140 -13.626   7.144
   72    HG3  ARG  10           HG3      ARG  10  -3.871 -13.012   5.660
   73    HD2  ARG  10           HD2      ARG  10  -5.740 -14.742   6.031
   74    HD3  ARG  10           HD3      ARG  10  -5.010 -15.036   7.617
   75    HE   ARG  10           HE       ARG  10  -5.676 -12.956   8.376
   76   HH11  ARG  10          HH11      ARG  10  -6.538 -13.166   4.888
   77   HH12  ARG  10          HH12      ARG  10  -7.759 -11.938   5.039
   78   HH21  ARG  10          HH21      ARG  10  -7.247 -11.299   8.460
   79   HH22  ARG  10          HH22      ARG  10  -8.154 -10.860   7.046
   80    H    GLU  11           H        GLU  11  -0.593 -16.786   5.605
   81    HA   GLU  11           HA       GLU  11  -0.941 -18.267   3.145
   82    HB2  GLU  11           HB2      GLU  11   1.538 -17.794   4.860
   83    HB3  GLU  11           HB3      GLU  11   1.521 -18.510   3.241
   84    HG2  GLU  11           HG2      GLU  11   0.435 -16.399   2.381
   85    HG3  GLU  11           HG3      GLU  11   0.678 -15.672   3.972
   86    H    HIS  12           H        HIS  12   0.014 -19.140   6.523
   87    HA   HIS  12           HA       HIS  12   0.442 -21.895   5.963
   88    HB2  HIS  12           HB2      HIS  12  -0.512 -20.583   8.546
   89    HB3  HIS  12           HB3      HIS  12   0.074 -22.236   8.401
   90    HD1  HIS  12           HD1      HIS  12   2.793 -22.158   7.115
   91    HD2  HIS  12           HD2      HIS  12   1.306 -19.064   9.549
   92    HE1  HIS  12           HE1      HIS  12   4.823 -20.886   7.969
   93    H    ARG  13           H        ARG  13  -2.578 -20.216   7.074
   94    HA   ARG  13           HA       ARG  13  -4.016 -22.683   7.320
   95    HB2  ARG  13           HB2      ARG  13  -4.974 -19.803   7.096
   96    HB3  ARG  13           HB3      ARG  13  -6.053 -21.178   7.348
   97    HG2  ARG  13           HG2      ARG  13  -4.913 -21.823   9.398
   98    HG3  ARG  13           HG3      ARG  13  -3.716 -20.546   9.217
   99    HD2  ARG  13           HD2      ARG  13  -6.708 -20.105   9.568
  100    HD3  ARG  13           HD3      ARG  13  -5.487 -20.031  10.860
  101    HE   ARG  13           HE       ARG  13  -4.544 -18.256   9.004
  102   HH11  ARG  13          HH11      ARG  13  -7.770 -18.564  10.410
  103   HH12  ARG  13          HH12      ARG  13  -7.957 -16.892  10.782
  104   HH21  ARG  13          HH21      ARG  13  -4.644 -16.009   9.908
  105   HH22  ARG  13          HH22      ARG  13  -6.198 -15.407  10.333
  106    H    ILE  14           H        ILE  14  -3.838 -20.331   4.564
  107    HA   ILE  14           HA       ILE  14  -5.805 -21.782   3.112
  108    HB   ILE  14           HB       ILE  14  -5.074 -19.405   2.725
  109   HG12  ILE  14          HG12      ILE  14  -5.381 -21.280   0.361
  110   HG13  ILE  14          HG13      ILE  14  -6.662 -20.572   1.339
  111   HG21  ILE  14          HG21      ILE  14  -2.889 -20.589   0.966
  112   HG22  ILE  14          HG22      ILE  14  -3.281 -18.874   1.211
  113   HG23  ILE  14          HG23      ILE  14  -2.623 -19.812   2.539
  114   HD11  ILE  14          HD11      ILE  14  -6.542 -19.375  -0.718
  115   HD12  ILE  14          HD12      ILE  14  -5.959 -18.301   0.570
  116   HD13  ILE  14          HD13      ILE  14  -4.803 -19.091  -0.536
  117    H    GLU  15           H        GLU  15  -2.232 -22.104   3.298
  118    HA   GLU  15           HA       GLU  15  -1.980 -24.113   1.293
  119    HB2  GLU  15           HB2      GLU  15  -0.109 -22.828   2.133
  120    HB3  GLU  15           HB3      GLU  15  -0.337 -23.452   3.772
  121    HG2  GLU  15           HG2      GLU  15   0.288 -25.687   3.090
  122    HG3  GLU  15           HG3      GLU  15   0.337 -25.208   1.386
  123    H    THR  16           H        THR  16  -2.788 -24.334   4.787
  124    HA   THR  16           HA       THR  16  -2.632 -27.266   4.624
  125    HB   THR  16           HB       THR  16  -2.835 -27.135   7.105
  126    HG1  THR  16           HG1      THR  16  -2.438 -24.359   6.727
  127   HG21  THR  16          HG21      THR  16  -0.571 -26.271   7.474
  128   HG22  THR  16          HG22      THR  16  -0.642 -27.264   6.010
  129   HG23  THR  16          HG23      THR  16  -0.576 -25.496   5.874
  130    H    GLU  17           H        GLU  17  -5.161 -25.107   4.068
  131    HA   GLU  17           HA       GLU  17  -7.104 -27.285   4.735
  132    HB2  GLU  17           HB2      GLU  17  -7.511 -24.306   5.222
  133    HB3  GLU  17           HB3      GLU  17  -8.710 -25.573   5.452
  134    HG2  GLU  17           HG2      GLU  17  -7.189 -26.640   7.158
  135    HG3  GLU  17           HG3      GLU  17  -6.145 -25.218   7.049
  136    H    ILE  18           H        ILE  18  -6.093 -24.944   2.290
  137    HA   ILE  18           HA       ILE  18  -8.692 -25.385   0.865
  138    HB   ILE  18           HB       ILE  18  -6.939 -22.990   1.301
  139   HG12  ILE  18          HG12      ILE  18  -9.967 -23.275   1.491
  140   HG13  ILE  18          HG13      ILE  18  -8.920 -23.701   2.832
  141   HG21  ILE  18          HG21      ILE  18  -8.250 -21.676  -0.299
  142   HG22  ILE  18          HG22      ILE  18  -7.345 -22.924  -1.107
  143   HG23  ILE  18          HG23      ILE  18  -9.088 -23.152  -0.840
  144   HD11  ILE  18          HD11      ILE  18  -9.851 -21.474   3.122
  145   HD12  ILE  18          HD12      ILE  18  -8.084 -21.438   3.034
  146   HD13  ILE  18          HD13      ILE  18  -9.060 -20.917   1.642
  147    H    ILE  19           H        ILE  19  -5.139 -25.275   0.354
  148    HA   ILE  19           HA       ILE  19  -5.693 -26.691  -2.221
  149    HB   ILE  19           HB       ILE  19  -3.694 -25.693  -3.199
  150   HG12  ILE  19          HG12      ILE  19  -2.783 -24.919  -0.859
  151   HG13  ILE  19          HG13      ILE  19  -2.360 -24.104  -2.357
  152   HG21  ILE  19          HG21      ILE  19  -4.727 -23.599  -3.891
  153   HG22  ILE  19          HG22      ILE  19  -5.899 -24.922  -3.827
  154   HG23  ILE  19          HG23      ILE  19  -5.888 -23.693  -2.561
  155   HD11  ILE  19          HD11      ILE  19  -4.579 -23.133  -0.538
  156   HD12  ILE  19          HD12      ILE  19  -2.896 -22.566  -0.455
  157   HD13  ILE  19          HD13      ILE  19  -3.858 -22.273  -1.912
  158    H    VAL  20           H        VAL  20  -5.411 -27.908   0.274
  159    HA   VAL  20           HA       VAL  20  -2.920 -28.770   1.050
  160    HB   VAL  20           HB       VAL  20  -4.123 -30.771   1.985
  161   HG11  VAL  20          HG11      VAL  20  -5.451 -28.069   2.444
  162   HG12  VAL  20          HG12      VAL  20  -5.466 -29.458   3.552
  163   HG13  VAL  20          HG13      VAL  20  -3.939 -28.645   3.180
  164   HG21  VAL  20          HG21      VAL  20  -6.571 -30.878   1.894
  165   HG22  VAL  20          HG22      VAL  20  -6.630 -29.562   0.713
  166   HG23  VAL  20          HG23      VAL  20  -5.892 -31.125   0.289
  167    H    ASP  21           H        ASP  21  -4.805 -30.150  -1.626
  168    HA   ASP  21           HA       ASP  21  -2.582 -32.068  -2.200
  169    HB2  ASP  21           HB2      ASP  21  -4.523 -33.089  -1.015
  170    HB3  ASP  21           HB3      ASP  21  -5.578 -32.564  -2.327
  171    H    ALA  22           H        ALA  22  -3.882 -29.371  -3.339
  172    HA   ALA  22           HA       ALA  22  -4.508 -30.052  -6.110
  173    HB1  ALA  22           HB1      ALA  22  -3.993 -27.397  -4.706
  174    HB2  ALA  22           HB2      ALA  22  -4.564 -27.603  -6.371
  175    HB3  ALA  22           HB3      ALA  22  -5.585 -28.129  -5.025
  176    H    GLU  23           H        GLU  23  -2.792 -30.990  -7.132
  177    HA   GLU  23           HA       GLU  23  -0.077 -30.350  -6.450
  178    HB2  GLU  23           HB2      GLU  23   0.485 -32.150  -7.977
  179    HB3  GLU  23           HB3      GLU  23  -0.853 -32.620  -6.932
  180    HG2  GLU  23           HG2      GLU  23  -2.460 -32.159  -8.789
  181    HG3  GLU  23           HG3      GLU  23  -1.116 -31.704  -9.835
  182    H    ASP  24           H        ASP  24  -2.198 -28.923  -8.750
  183    HA   ASP  24           HA       ASP  24   0.050 -27.749 -10.321
  184    HB2  ASP  24           HB2      ASP  24  -0.692 -29.680 -11.558
  185    HB3  ASP  24           HB3      ASP  24  -2.390 -29.307 -11.251
  186    H    LYS  25           H        LYS  25  -0.462 -25.726 -11.295
  187    HA   LYS  25           HA       LYS  25  -1.913 -23.984  -9.746
  188    HB2  LYS  25           HB2      LYS  25  -1.506 -22.291 -11.296
  189    HB3  LYS  25           HB3      LYS  25  -0.121 -23.362 -11.323
  190    HG2  LYS  25           HG2      LYS  25  -2.272 -23.065 -13.459
  191    HG3  LYS  25           HG3      LYS  25  -0.576 -22.576 -13.552
  192    HD2  LYS  25           HD2      LYS  25   0.056 -25.023 -13.289
  193    HD3  LYS  25           HD3      LYS  25  -1.677 -25.372 -13.406
  194    HE2  LYS  25           HE2      LYS  25  -1.606 -24.205 -15.694
  195    HE3  LYS  25           HE3      LYS  25   0.157 -24.354 -15.553
  196    HZ1  LYS  25           HZ1      LYS  25  -0.554 -26.825 -14.950
  197    HZ2  LYS  25           HZ2      LYS  25  -1.870 -26.444 -15.852
  198    HZ3  LYS  25           HZ3      LYS  25  -0.382 -26.349 -16.531
  199    H    GLU  26           H        GLU  26  -3.327 -25.970 -12.345
  200    HA   GLU  26           HA       GLU  26  -5.688 -24.264 -12.619
  201    HB2  GLU  26           HB2      GLU  26  -5.097 -27.143 -13.442
  202    HB3  GLU  26           HB3      GLU  26  -6.561 -26.268 -13.858
  203    HG2  GLU  26           HG2      GLU  26  -5.365 -24.673 -15.211
  204    HG3  GLU  26           HG3      GLU  26  -3.808 -25.188 -14.594
  205    H    GLU  27           H        GLU  27  -4.747 -27.230 -10.833
  206    HA   GLU  27           HA       GLU  27  -7.315 -27.667  -9.596
  207    HB2  GLU  27           HB2      GLU  27  -4.524 -28.494  -8.679
  208    HB3  GLU  27           HB3      GLU  27  -6.042 -29.119  -8.048
  209    HG2  GLU  27           HG2      GLU  27  -5.031 -29.427 -10.908
  210    HG3  GLU  27           HG3      GLU  27  -4.967 -30.658  -9.653
  211    H    ARG  28           H        ARG  28  -4.400 -25.771  -8.771
  212    HA   ARG  28           HA       ARG  28  -5.323 -25.014  -6.146
  213    HB2  ARG  28           HB2      ARG  28  -3.255 -23.772  -8.005
  214    HB3  ARG  28           HB3      ARG  28  -3.513 -23.256  -6.335
  215    HG2  ARG  28           HG2      ARG  28  -2.845 -25.374  -5.443
  216    HG3  ARG  28           HG3      ARG  28  -2.905 -26.160  -7.020
  217    HD2  ARG  28           HD2      ARG  28  -1.003 -24.778  -7.788
  218    HD3  ARG  28           HD3      ARG  28  -0.852 -24.125  -6.134
  219    HE   ARG  28           HE       ARG  28  -0.917 -26.879  -5.840
  220   HH11  ARG  28          HH21      ARG  28   1.203 -24.710  -7.741
  221   HH12  ARG  28          HH22      ARG  28   2.598 -25.712  -7.513
  222   HH21  ARG  28          HH11      ARG  28   0.912 -28.110  -5.493
  223   HH22  ARG  28          HH12      ARG  28   2.423 -27.720  -6.237
  224    H    ALA  29           H        ALA  29  -5.872 -23.633  -9.376
  225    HA   ALA  29           HA       ALA  29  -7.182 -21.238  -8.426
  226    HB1  ALA  29           HB1      ALA  29  -8.077 -21.068 -10.688
  227    HB2  ALA  29           HB2      ALA  29  -6.363 -21.513 -10.774
  228    HB3  ALA  29           HB3      ALA  29  -7.626 -22.736 -11.044
  229    H    MET  30           H        MET  30  -8.298 -24.608  -9.200
  230    HA   MET  30           HA       MET  30 -11.050 -24.064  -8.610
  231    HB2  MET  30           HB2      MET  30  -9.526 -26.687  -8.464
  232    HB3  MET  30           HB3      MET  30 -11.274 -26.514  -8.349
  233    HG2  MET  30           HG2      MET  30  -9.595 -25.740 -10.764
  234    HG3  MET  30           HG3      MET  30 -10.518 -27.216 -10.571
  235    HE1  MET  30           HE1      MET  30 -11.950 -23.179 -12.039
  236    HE2  MET  30           HE2      MET  30 -11.621 -23.092 -10.312
  237    HE3  MET  30           HE3      MET  30 -10.340 -23.613 -11.431
  238    H    GLY  31           H        GLY  31  -8.362 -25.152  -6.470
  239    HA2  GLY  31           HA2      GLY  31  -9.890 -25.482  -4.120
  240    HA3  GLY  31           HA3      GLY  31  -8.190 -24.983  -4.180
  241    H    TRP  32           H        TRP  32  -8.177 -22.512  -5.304
  242    HA   TRP  32           HA       TRP  32  -9.111 -20.723  -3.396
  243    HB2  TRP  32           HB2      TRP  32  -8.124 -20.515  -6.215
  244    HB3  TRP  32           HB3      TRP  32  -9.061 -19.159  -5.625
  245    HD1  TRP  32           HD1      TRP  32  -5.696 -20.786  -5.184
  246    HE1  TRP  32           HE1      TRP  32  -4.204 -19.270  -3.763
  247    HE3  TRP  32           HE3      TRP  32  -9.238 -17.453  -3.594
  248    HZ2  TRP  32           HZ2      TRP  32  -4.545 -16.972  -2.012
  249    HZ3  TRP  32           HZ3      TRP  32  -8.641 -15.651  -1.996
  250    HH2  TRP  32           HH2      TRP  32  -6.297 -15.411  -1.194
  251    H    TYR  33           H        TYR  33 -10.634 -21.519  -6.579
  252    HA   TYR  33           HA       TYR  33 -12.811 -19.751  -6.381
  253    HB2  TYR  33           HB2      TYR  33 -12.311 -20.748  -8.493
  254    HB3  TYR  33           HB3      TYR  33 -12.392 -22.379  -7.839
  255    HD1  TYR  33           HD1      TYR  33 -14.456 -19.447  -8.841
  256    HD2  TYR  33           HD2      TYR  33 -14.484 -23.557  -7.526
  257    HE1  TYR  33           HE1      TYR  33 -16.866 -19.590  -9.345
  258    HE2  TYR  33           HE2      TYR  33 -16.921 -23.670  -7.923
  259    HH   TYR  33           HH       TYR  33 -18.782 -20.912  -9.295
  260    H    TYR  34           H        TYR  34 -12.517 -23.166  -5.290
  261    HA   TYR  34           HA       TYR  34 -15.219 -23.598  -4.693
  262    HB2  TYR  34           HB2      TYR  34 -13.785 -25.461  -4.880
  263    HB3  TYR  34           HB3      TYR  34 -12.594 -24.789  -3.779
  264    HD1  TYR  34           HD1      TYR  34 -16.087 -26.151  -3.859
  265    HD2  TYR  34           HD2      TYR  34 -12.579 -25.299  -1.512
  266    HE1  TYR  34           HE1      TYR  34 -17.086 -27.379  -1.941
  267    HE2  TYR  34           HE2      TYR  34 -13.557 -26.520   0.420
  268    HH   TYR  34           HH       TYR  34 -15.388 -27.730   1.213
  269    H    TYR  35           H        TYR  35 -12.547 -22.603  -2.399
  270    HA   TYR  35           HA       TYR  35 -14.507 -22.378  -0.289
  271    HB2  TYR  35           HB2      TYR  35 -12.825 -22.097   1.138
  272    HB3  TYR  35           HB3      TYR  35 -11.875 -22.772  -0.167
  273    HD1  TYR  35           HD1      TYR  35 -10.477 -21.219  -1.596
  274    HD2  TYR  35           HD2      TYR  35 -12.567 -19.826   1.904
  275    HE1  TYR  35           HE1      TYR  35  -9.025 -19.226  -1.545
  276    HE2  TYR  35           HE2      TYR  35 -11.138 -17.804   1.960
  277    HH   TYR  35           HH       TYR  35  -8.531 -17.226  -0.433
  278    H    LEU  36           H        LEU  36 -13.038 -20.044  -2.582
  279    HA   LEU  36           HA       LEU  36 -13.904 -17.710  -1.234
  280    HB2  LEU  36           HB2      LEU  36 -12.173 -17.716  -2.955
  281    HB3  LEU  36           HB3      LEU  36 -13.342 -18.241  -4.174
  282    HG   LEU  36           HG       LEU  36 -14.541 -16.113  -4.013
  283   HD11  LEU  36          HD11      LEU  36 -12.420 -15.306  -1.971
  284   HD12  LEU  36          HD12      LEU  36 -13.586 -14.204  -2.736
  285   HD13  LEU  36          HD13      LEU  36 -14.166 -15.483  -1.667
  286   HD21  LEU  36          HD21      LEU  36 -12.839 -14.739  -5.059
  287   HD22  LEU  36          HD22      LEU  36 -11.533 -15.684  -4.311
  288   HD23  LEU  36          HD23      LEU  36 -12.581 -16.415  -5.540
  289    H    ASP  37           H        ASP  37 -15.446 -19.555  -3.950
  290    HA   ASP  37           HA       ASP  37 -17.776 -17.955  -4.157
  291    HB2  ASP  37           HB2      ASP  37 -17.148 -19.607  -5.853
  292    HB3  ASP  37           HB3      ASP  37 -17.361 -20.922  -4.691
  293    H    ASP  38           H        ASP  38 -17.058 -20.809  -2.104
  294    HA   ASP  38           HA       ASP  38 -19.619 -20.962  -0.858
  295    HB2  ASP  38           HB2      ASP  38 -17.985 -22.784  -0.823
  296    HB3  ASP  38           HB3      ASP  38 -16.886 -21.814   0.160
  297    H    THR  39           H        THR  39 -16.968 -18.705  -0.284
  298    HA   THR  39           HA       THR  39 -17.948 -18.055   2.434
  299    HB   THR  39           HB       THR  39 -15.503 -17.104   0.890
  300    HG1  THR  39           HG1      THR  39 -15.301 -19.214   1.358
  301   HG21  THR  39          HG21      THR  39 -16.375 -16.684   3.783
  302   HG22  THR  39          HG22      THR  39 -14.704 -16.448   3.216
  303   HG23  THR  39          HG23      THR  39 -16.013 -15.445   2.576
  304    H    LEU  40           H        LEU  40 -17.728 -16.599  -0.828
  305    HA   LEU  40           HA       LEU  40 -18.454 -13.929  -0.071
  306    HB2  LEU  40           HB2      LEU  40 -18.866 -15.509  -2.643
  307    HB3  LEU  40           HB3      LEU  40 -19.257 -13.800  -2.488
  308    HG   LEU  40           HG       LEU  40 -16.454 -14.920  -2.093
  309   HD11  LEU  40          HD11      LEU  40 -17.226 -15.316  -4.383
  310   HD12  LEU  40          HD12      LEU  40 -17.693 -13.608  -4.548
  311   HD13  LEU  40          HD13      LEU  40 -15.984 -14.061  -4.357
  312   HD21  LEU  40          HD21      LEU  40 -16.608 -12.821  -0.985
  313   HD22  LEU  40          HD22      LEU  40 -15.749 -12.586  -2.502
  314   HD23  LEU  40          HD23      LEU  40 -17.447 -12.081  -2.381
  315    H    GLU  41           H        GLU  41 -20.367 -13.341   0.902
  316    HA   GLU  41           HA       GLU  41 -22.729 -15.072   0.696
  317    HB2  GLU  41           HB2      GLU  41 -22.277 -12.473   2.222
  318    HB3  GLU  41           HB3      GLU  41 -23.738 -13.479   2.271
  319    HG2  GLU  41           HG2      GLU  41 -22.148 -15.420   2.946
  320    HG3  GLU  41           HG3      GLU  41 -20.976 -14.155   3.319
  321    H    PHE  42           H        PHE  42 -22.226 -14.488  -1.759
  322    HA   PHE  42           HA       PHE  42 -23.108 -12.002  -2.792
  323    HB2  PHE  42           HB2      PHE  42 -22.958 -13.085  -4.969
  324    HB3  PHE  42           HB3      PHE  42 -21.598 -13.536  -3.978
  325    HD1  PHE  42           HD2      PHE  42 -24.874 -14.725  -5.347
  326    HD2  PHE  42           HD1      PHE  42 -21.140 -15.863  -3.505
  327    HE1  PHE  42           HE2      PHE  42 -25.363 -17.107  -5.816
  328    HE2  PHE  42           HE1      PHE  42 -21.640 -18.239  -3.969
  329    HZ   PHE  42           HZ       PHE  42 -23.751 -18.874  -5.123
  330    HA   PRO  43           HA       PRO  43 -24.235 -11.408  -5.009
  331    HB2  PRO  43           HB2      PRO  43 -26.188  -9.578  -5.463
  332    HB3  PRO  43           HB3      PRO  43 -26.167 -11.190  -6.238
  333    HG2  PRO  43           HG2      PRO  43 -27.712 -10.338  -3.770
  334    HG3  PRO  43           HG3      PRO  43 -28.319 -11.226  -5.206
  335    HD2  PRO  43           HD2      PRO  43 -27.565 -12.511  -2.916
  336    HD3  PRO  43           HD3      PRO  43 -27.268 -13.227  -4.526
  337    H    PHE  44           H        PHE  44 -23.400  -9.278  -4.825
  338    HA   PHE  44           HA       PHE  44 -23.955  -7.667  -2.430
  339    HB2  PHE  44           HB2      PHE  44 -21.682  -7.554  -1.704
  340    HB3  PHE  44           HB3      PHE  44 -22.242  -9.201  -1.613
  341    HD1  PHE  44           HD1      PHE  44 -21.409 -10.915  -3.320
  342    HD2  PHE  44           HD2      PHE  44 -19.691  -6.991  -2.938
  343    HE1  PHE  44           HE1      PHE  44 -19.328 -11.727  -4.380
  344    HE2  PHE  44           HE2      PHE  44 -17.610  -7.797  -4.000
  345    HZ   PHE  44           HZ       PHE  44 -17.408 -10.177  -4.700
  346    H    MET  45           H        MET  45 -21.918  -5.756  -2.807
  347    HA   MET  45           HA       MET  45 -22.037  -5.107  -5.689
  348    HB2  MET  45           HB2      MET  45 -22.876  -2.976  -5.436
  349    HB3  MET  45           HB3      MET  45 -23.951  -3.979  -4.486
  350    HG2  MET  45           HG2      MET  45 -23.294  -3.049  -2.478
  351    HG3  MET  45           HG3      MET  45 -21.670  -2.675  -3.023
  352    HE1  MET  45           HE1      MET  45 -21.949   0.649  -4.956
  353    HE2  MET  45           HE2      MET  45 -20.904  -0.680  -4.430
  354    HE3  MET  45           HE3      MET  45 -22.052  -0.932  -5.754
  355    H    GLY  46           H        GLY  46 -20.648  -3.270  -6.275
  356    HA2  GLY  46           HA2      GLY  46 -18.404  -2.636  -4.502
  357    HA3  GLY  46           HA3      GLY  46 -18.009  -3.813  -5.768
  358    H    LYS  47           H        LYS  47 -16.583  -1.792  -5.935
  359    HA   LYS  47           HA       LYS  47 -17.669  -0.221  -8.236
  360    HB2  LYS  47           HB2      LYS  47 -16.881   1.085  -6.138
  361    HB3  LYS  47           HB3      LYS  47 -15.263   0.503  -6.514
  362    HG2  LYS  47           HG2      LYS  47 -15.218   2.507  -7.685
  363    HG3  LYS  47           HG3      LYS  47 -15.836   1.470  -8.946
  364    HD2  LYS  47           HD2      LYS  47 -17.325   3.273  -9.020
  365    HD3  LYS  47           HD3      LYS  47 -18.202   2.070  -8.122
  366    HE2  LYS  47           HE2      LYS  47 -18.051   4.651  -7.437
  367    HE3  LYS  47           HE3      LYS  47 -18.364   3.361  -6.277
  368    HZ1  LYS  47           HZ1      LYS  47 -16.670   4.998  -5.581
  369    HZ2  LYS  47           HZ2      LYS  47 -16.111   3.475  -5.545
  370    HZ3  LYS  47           HZ3      LYS  47 -15.637   4.488  -6.739
  371    H    TRP  48           H        TRP  48 -16.855  -0.934 -10.122
  372    HA   TRP  48           HA       TRP  48 -14.480  -2.687 -10.228
  373    HB2  TRP  48           HB2      TRP  48 -16.511  -2.986 -11.691
  374    HB3  TRP  48           HB3      TRP  48 -16.134  -1.462 -12.469
  375    HD1  TRP  48           HD1      TRP  48 -12.823  -2.675 -12.278
  376    HE1  TRP  48           HE1      TRP  48 -12.090  -4.112 -14.202
  377    HE3  TRP  48           HE3      TRP  48 -17.438  -3.728 -14.251
  378    HZ2  TRP  48           HZ2      TRP  48 -13.340  -5.646 -16.336
  379    HZ3  TRP  48           HZ3      TRP  48 -17.622  -5.198 -16.241
  380    HH2  TRP  48           HH2      TRP  48 -15.572  -6.173 -17.272
  381    H    LYS  49           H        LYS  49 -12.632  -1.619  -9.782
  382    HA   LYS  49           HA       LYS  49 -12.257   1.225 -10.337
  383    HB2  LYS  49           HB2      LYS  49 -10.292  -0.838  -9.227
  384    HB3  LYS  49           HB3      LYS  49 -10.181   0.912  -9.067
  385    HG2  LYS  49           HG2      LYS  49 -12.294  -0.876  -7.779
  386    HG3  LYS  49           HG3      LYS  49 -10.844  -0.312  -6.989
  387    HD2  LYS  49           HD2      LYS  49 -12.944   1.617  -8.071
  388    HD3  LYS  49           HD3      LYS  49 -12.999   0.893  -6.462
  389    HE2  LYS  49           HE2      LYS  49 -10.558   1.765  -6.194
  390    HE3  LYS  49           HE3      LYS  49 -10.948   2.839  -7.547
  391    HZ1  LYS  49           HZ1      LYS  49 -11.400   3.835  -5.362
  392    HZ2  LYS  49           HZ2      LYS  49 -12.793   3.711  -6.217
  393    HZ3  LYS  49           HZ3      LYS  49 -12.462   2.636  -4.996
  394    H    LYS  50           H        LYS  50 -12.672   0.346 -12.736
  395    HA   LYS  50           HA       LYS  50 -10.878  -1.449 -13.998
  396    HB2  LYS  50           HB2      LYS  50 -13.137  -0.933 -14.795
  397    HB3  LYS  50           HB3      LYS  50 -12.660   0.722 -15.192
  398    HG2  LYS  50           HG2      LYS  50 -11.127  -0.035 -16.902
  399    HG3  LYS  50           HG3      LYS  50 -11.317  -1.727 -16.420
  400    HD2  LYS  50           HD2      LYS  50 -13.547   0.020 -17.562
  401    HD3  LYS  50           HD3      LYS  50 -12.549  -1.095 -18.509
  402    HE2  LYS  50           HE2      LYS  50 -13.319  -2.989 -17.066
  403    HE3  LYS  50           HE3      LYS  50 -14.382  -1.881 -16.195
  404    HZ1  LYS  50           HZ1      LYS  50 -14.579  -2.530 -19.080
  405    HZ2  LYS  50           HZ2      LYS  50 -15.578  -3.063 -17.906
  406    HZ3  LYS  50           HZ3      LYS  50 -15.552  -1.477 -18.295
  407    H    LYS  51           H        LYS  51  -8.769  -1.191 -14.457
  408    HA   LYS  51           HA       LYS  51  -7.656   1.539 -14.710
  409    HB2  LYS  51           HB2      LYS  51  -6.725  -0.514 -13.337
  410    HB3  LYS  51           HB3      LYS  51  -6.023  -1.004 -14.883
  411    HG2  LYS  51           HG2      LYS  51  -4.800   1.143 -15.012
  412    HG3  LYS  51           HG3      LYS  51  -5.640   1.730 -13.567
  413    HD2  LYS  51           HD2      LYS  51  -4.634  -0.351 -12.367
  414    HD3  LYS  51           HD3      LYS  51  -3.559  -0.481 -13.758
  415    HE2  LYS  51           HE2      LYS  51  -3.848   1.889 -11.846
  416    HE3  LYS  51           HE3      LYS  51  -2.524   0.724 -11.868
  417    HZ1  LYS  51           HZ1      LYS  51  -3.151   2.686 -13.997
  418    HZ2  LYS  51           HZ2      LYS  51  -1.872   2.720 -12.980
  419    HZ3  LYS  51           HZ3      LYS  51  -1.963   1.540 -14.103
  420    H    SER  52           H        SER  52  -8.866  -0.884 -16.766
  421    HA   SER  52           HA       SER  52  -7.128  -0.841 -18.931
  422    HB2  SER  52           HB2      SER  52 -10.093  -1.483 -18.992
  423    HB3  SER  52           HB3      SER  52  -8.783  -2.258 -19.901
  424    HG   SER  52           HG       SER  52  -9.417  -3.558 -18.162
  425    H    ARG  53           H        ARG  53  -7.906   2.008 -18.334
  426    HA   ARG  53           HA       ARG  53  -9.799   2.846 -20.393
  427    HB2  ARG  53           HB2      ARG  53  -9.027   3.976 -18.055
  428    HB3  ARG  53           HB3      ARG  53  -7.900   4.793 -19.135
  429    HG2  ARG  53           HG2      ARG  53 -10.032   5.334 -20.588
  430    HG3  ARG  53           HG3      ARG  53 -10.939   4.773 -19.187
  431    HD2  ARG  53           HD2      ARG  53 -10.789   7.109 -18.902
  432    HD3  ARG  53           HD3      ARG  53  -9.569   6.450 -17.811
  433    HE   ARG  53           HE       ARG  53  -7.849   7.305 -19.153
  434   HH11  ARG  53          HH11      ARG  53 -10.980   7.976 -20.717
  435   HH12  ARG  53          HH12      ARG  53 -10.307   9.071 -21.865
  436   HH21  ARG  53          HH21      ARG  53  -6.984   8.667 -20.640
  437   HH22  ARG  53          HH22      ARG  53  -7.958   9.517 -21.811
  438    H    LYS  54           H        LYS  54  -8.893   4.762 -21.884
  439    HA   LYS  54           HA       LYS  54  -6.898   3.795 -23.692
  440    HB2  LYS  54           HB2      LYS  54  -7.915   6.640 -23.234
  441    HB3  LYS  54           HB3      LYS  54  -6.980   6.108 -24.623
  442    HG2  LYS  54           HG2      LYS  54  -9.791   5.173 -23.911
  443    HG3  LYS  54           HG3      LYS  54  -9.344   6.320 -25.174
  444    HD2  LYS  54           HD2      LYS  54  -7.983   4.503 -26.275
  445    HD3  LYS  54           HD3      LYS  54  -8.637   3.348 -25.108
  446    HE2  LYS  54           HE2      LYS  54 -10.289   5.043 -27.038
  447    HE3  LYS  54           HE3      LYS  54  -9.809   3.371 -27.323
  448    HZ1  LYS  54           HZ1      LYS  54 -11.576   4.274 -25.125
  449    HZ2  LYS  54           HZ2      LYS  54 -12.036   3.473 -26.462
  450    HZ3  LYS  54           HZ3      LYS  54 -11.094   2.726 -25.367
  451    H    THR  55           H        THR  55  -6.564   5.360 -20.612
  452    HA   THR  55           HA       THR  55  -3.634   5.574 -20.991
  453    HB   THR  55           HB       THR  55  -3.814   7.502 -19.319
  454    HG1  THR  55           HG1      THR  55  -5.725   7.835 -18.568
  455   HG21  THR  55          HG21      THR  55  -5.153   7.975 -22.023
  456   HG22  THR  55          HG22      THR  55  -4.384   9.197 -20.986
  457   HG23  THR  55          HG23      THR  55  -3.402   7.923 -21.727
  458    H    SER  56           H        SER  56  -2.596   5.469 -18.681
  459    HA   SER  56           HA       SER  56  -3.354   3.082 -17.412
  460    HB2  SER  56           HB2      SER  56  -1.645   5.322 -16.263
  461    HB3  SER  56           HB3      SER  56  -1.510   3.584 -15.944
  462    HG   SER  56           HG       SER  56   0.060   4.322 -17.445
  463    H    THR  57           H        THR  57  -5.016   5.985 -17.121
  464    HA   THR  57           HA       THR  57  -5.350   6.429 -14.393
  465    HB   THR  57           HB       THR  57  -7.458   6.963 -16.496
  466    HG1  THR  57           HG1      THR  57  -5.014   8.388 -16.299
  467   HG21  THR  57          HG21      THR  57  -6.289   8.709 -14.286
  468   HG22  THR  57          HG22      THR  57  -7.571   9.182 -15.426
  469   HG23  THR  57          HG23      THR  57  -7.865   7.890 -14.253
  470    H    ILE  58           H        ILE  58  -6.775   5.671 -12.860
  471    HA   ILE  58           HA       ILE  58  -8.379   3.277 -13.319
  472    HB   ILE  58           HB       ILE  58  -8.066   5.248 -11.032
  473   HG12  ILE  58          HG12      ILE  58  -6.116   3.720 -11.532
  474   HG13  ILE  58          HG13      ILE  58  -6.762   3.632  -9.905
  475   HG21  ILE  58          HG21      ILE  58  -9.269   3.577  -9.588
  476   HG22  ILE  58          HG22      ILE  58 -10.297   4.415 -10.749
  477   HG23  ILE  58          HG23      ILE  58  -9.793   2.747 -11.073
  478   HD11  ILE  58          HD11      ILE  58  -7.474   1.617 -12.074
  479   HD12  ILE  58          HD12      ILE  58  -6.157   1.414 -10.900
  480   HD13  ILE  58          HD13      ILE  58  -7.828   1.508 -10.336
  481    H    GLU  59           H        GLU  59 -10.559   3.182 -13.553
  482    HA   GLU  59           HA       GLU  59 -12.220   5.645 -13.573
  483    HB2  GLU  59           HB2      GLU  59 -12.246   3.263 -15.494
  484    HB3  GLU  59           HB3      GLU  59 -13.625   4.332 -15.290
  485    HG2  GLU  59           HG2      GLU  59 -10.859   5.180 -16.243
  486    HG3  GLU  59           HG3      GLU  59 -12.268   4.907 -17.261
  487    H    GLU  60           H        GLU  60 -14.387   5.162 -12.778
  488    HA   GLU  60           HA       GLU  60 -14.440   2.776 -10.977
  489    HB2  GLU  60           HB2      GLU  60 -15.075   5.704 -10.400
  490    HB3  GLU  60           HB3      GLU  60 -15.479   4.367  -9.332
  491    HG2  GLU  60           HG2      GLU  60 -12.989   3.737  -9.374
  492    HG3  GLU  60           HG3      GLU  60 -12.709   5.304 -10.147
  493    H    LYS  61           H        LYS  61 -16.035   1.510 -11.715
  494    HA   LYS  61           HA       LYS  61 -18.626   2.780 -12.556
  495    HB2  LYS  61           HB2      LYS  61 -17.479   1.635 -14.381
  496    HB3  LYS  61           HB3      LYS  61 -17.284   0.180 -13.394
  497    HG2  LYS  61           HG2      LYS  61 -19.684  -0.189 -13.333
  498    HG3  LYS  61           HG3      LYS  61 -19.990   1.314 -14.196
  499    HD2  LYS  61           HD2      LYS  61 -18.234  -0.887 -15.375
  500    HD3  LYS  61           HD3      LYS  61 -19.975  -0.989 -15.494
  501    HE2  LYS  61           HE2      LYS  61 -18.285   1.314 -16.566
  502    HE3  LYS  61           HE3      LYS  61 -18.933  -0.022 -17.524
  503    HZ1  LYS  61           HZ1      LYS  61 -20.581   1.959 -16.072
  504    HZ2  LYS  61           HZ2      LYS  61 -20.350   1.913 -17.696
  505    HZ3  LYS  61           HZ3      LYS  61 -21.183   0.719 -16.932
  506    H    THR  62           H        THR  62 -20.217   2.507 -11.035
  507    HA   THR  62           HA       THR  62 -19.929   0.701  -8.832
  508    HB   THR  62           HB       THR  62 -22.521   1.973  -9.776
  509    HG1  THR  62           HG1      THR  62 -21.847   3.891  -8.874
  510   HG21  THR  62          HG21      THR  62 -21.288   1.592  -7.004
  511   HG22  THR  62          HG22      THR  62 -22.915   2.223  -7.359
  512   HG23  THR  62          HG23      THR  62 -22.523   0.536  -7.721
  513    H    VAL  63           H        VAL  63 -20.548  -1.405  -8.670
  514    HA   VAL  63           HA       VAL  63 -22.289  -2.562 -10.801
  515    HB   VAL  63           HB       VAL  63 -20.715  -4.464 -10.960
  516   HG11  VAL  63          HG11      VAL  63 -20.710  -2.639 -12.653
  517   HG12  VAL  63          HG12      VAL  63 -19.388  -1.851 -11.767
  518   HG13  VAL  63          HG13      VAL  63 -19.141  -3.443 -12.486
  519   HG21  VAL  63          HG21      VAL  63 -18.693  -2.693  -9.513
  520   HG22  VAL  63          HG22      VAL  63 -19.422  -4.172  -8.850
  521   HG23  VAL  63          HG23      VAL  63 -18.372  -4.263 -10.268
  522    H    GLU  64           H        GLU  64 -23.430  -4.413 -10.259
  523    HA   GLU  64           HA       GLU  64 -23.541  -5.098  -7.351
  524    HB2  GLU  64           HB2      GLU  64 -25.685  -4.452  -8.453
  525    HB3  GLU  64           HB3      GLU  64 -25.497  -5.796  -9.584
  526    HG2  GLU  64           HG2      GLU  64 -25.555  -7.393  -7.687
  527    HG3  GLU  64           HG3      GLU  64 -25.617  -6.049  -6.547
  528    H    VAL  65           H        VAL  65 -22.402  -6.915  -6.853
  529    HA   VAL  65           HA       VAL  65 -21.188  -8.479  -9.047
  530    HB   VAL  65           HB       VAL  65 -20.570  -8.577  -6.063
  531   HG11  VAL  65          HG11      VAL  65 -18.415  -9.548  -6.955
  532   HG12  VAL  65          HG12      VAL  65 -19.827 -10.539  -7.354
  533   HG13  VAL  65          HG13      VAL  65 -19.105  -9.477  -8.584
  534   HG21  VAL  65          HG21      VAL  65 -19.199  -6.912  -8.229
  535   HG22  VAL  65          HG22      VAL  65 -20.070  -6.284  -6.815
  536   HG23  VAL  65          HG23      VAL  65 -18.572  -7.182  -6.591
  537    H    LEU  66           H        LEU  66 -22.413 -10.121  -9.696
  538    HA   LEU  66           HA       LEU  66 -24.759 -10.882  -8.176
  539    HB2  LEU  66           HB2      LEU  66 -23.643 -12.088 -10.736
  540    HB3  LEU  66           HB3      LEU  66 -25.272 -12.288 -10.103
  541    HG   LEU  66           HG       LEU  66 -24.041  -9.719 -11.195
  542   HD11  LEU  66          HD11      LEU  66 -26.332 -11.457 -12.202
  543   HD12  LEU  66          HD12      LEU  66 -25.734  -9.962 -12.953
  544   HD13  LEU  66          HD13      LEU  66 -24.694 -11.394 -12.882
  545   HD21  LEU  66          HD21      LEU  66 -25.543  -9.089  -9.374
  546   HD22  LEU  66          HD22      LEU  66 -26.307  -8.721 -10.916
  547   HD23  LEU  66          HD23      LEU  66 -26.816 -10.160 -10.004
  548    H    GLY  67           H        GLY  67 -21.557 -12.322  -8.722
  549    HA2  GLY  67           HA2      GLY  67 -21.376 -14.048  -6.635
  550    HA3  GLY  67           HA3      GLY  67 -22.253 -14.981  -7.874
  551    H    MET  68           H        MET  68 -19.910 -16.040  -7.434
  552    HA   MET  68           HA       MET  68 -17.735 -14.966  -9.034
  553    HB2  MET  68           HB2      MET  68 -18.263 -17.810  -8.098
  554    HB3  MET  68           HB3      MET  68 -16.845 -17.268  -8.994
  555    HG2  MET  68           HG2      MET  68 -16.772 -15.433  -7.014
  556    HG3  MET  68           HG3      MET  68 -17.611 -16.727  -6.162
  557    HE1  MET  68           HE1      MET  68 -14.701 -16.666  -8.908
  558    HE2  MET  68           HE2      MET  68 -14.336 -15.382  -7.735
  559    HE3  MET  68           HE3      MET  68 -13.295 -16.817  -7.843
  560    H    ALA  69           H        ALA  69 -17.036 -15.696 -11.053
  561    HA   ALA  69           HA       ALA  69 -19.075 -16.223 -13.055
  562    HB1  ALA  69           HB1      ALA  69 -16.967 -14.891 -13.423
  563    HB2  ALA  69           HB2      ALA  69 -16.038 -16.397 -13.200
  564    HB3  ALA  69           HB3      ALA  69 -17.146 -16.219 -14.570
  565    HA   PRO  70           HA       PRO  70 -19.007 -20.709 -13.173
  566    HB2  PRO  70           HB2      PRO  70 -17.733 -20.496 -15.913
  567    HB3  PRO  70           HB3      PRO  70 -19.073 -21.562 -15.378
  568    HG2  PRO  70           HG2      PRO  70 -19.621 -19.304 -16.762
  569    HG3  PRO  70           HG3      PRO  70 -20.606 -19.718 -15.320
  570    HD2  PRO  70           HD2      PRO  70 -18.317 -17.762 -15.542
  571    HD3  PRO  70           HD3      PRO  70 -19.885 -17.565 -14.699
  572    H    ASP  71           H        ASP  71 -17.562 -22.480 -12.854
  573    HA   ASP  71           HA       ASP  71 -14.924 -21.915 -12.005
  574    HB2  ASP  71           HB2      ASP  71 -14.659 -24.199 -11.651
  575    HB3  ASP  71           HB3      ASP  71 -16.368 -23.916 -11.368
  576    H    ASP  72           H        ASP  72 -16.223 -22.740 -15.189
  577    HA   ASP  72           HA       ASP  72 -13.793 -23.411 -16.502
  578    HB2  ASP  72           HB2      ASP  72 -16.034 -23.849 -17.424
  579    HB3  ASP  72           HB3      ASP  72 -16.314 -22.113 -17.596
  580    H    GLU  73           H        GLU  73 -15.123 -20.269 -15.545
  581    HA   GLU  73           HA       GLU  73 -13.133 -18.758 -17.144
  582    HB2  GLU  73           HB2      GLU  73 -15.134 -17.850 -15.023
  583    HB3  GLU  73           HB3      GLU  73 -14.076 -16.795 -15.941
  584    HG2  GLU  73           HG2      GLU  73 -16.342 -18.505 -17.046
  585    HG3  GLU  73           HG3      GLU  73 -16.346 -16.759 -16.839
  586    H    CYS  74           H        CYS  74 -13.882 -19.734 -13.776
  587    HA   CYS  74           HA       CYS  74 -11.656 -18.313 -12.678
  588    HB2  CYS  74           HB2      CYS  74 -13.443 -20.397 -11.379
  589    HB3  CYS  74           HB3      CYS  74 -12.354 -19.272 -10.552
  590    HG   CYS  74           HG       CYS  74 -15.059 -18.713 -12.362
  591    H    LEU  75           H        LEU  75 -11.028 -20.482 -14.670
  592    HA   LEU  75           HA       LEU  75  -9.787 -22.693 -13.347
  593    HB2  LEU  75           HB2      LEU  75 -10.664 -22.066 -15.929
  594    HB3  LEU  75           HB3      LEU  75  -8.931 -22.022 -16.117
  595    HG   LEU  75           HG       LEU  75  -9.789 -24.167 -16.740
  596   HD11  LEU  75          HD11      LEU  75  -8.424 -24.563 -14.052
  597   HD12  LEU  75          HD12      LEU  75  -8.490 -25.704 -15.411
  598   HD13  LEU  75          HD13      LEU  75  -7.604 -24.182 -15.584
  599   HD21  LEU  75          HD21      LEU  75 -10.963 -24.499 -13.952
  600   HD22  LEU  75          HD22      LEU  75 -11.875 -24.163 -15.432
  601   HD23  LEU  75          HD23      LEU  75 -10.990 -25.685 -15.269
  602    H    LYS  76           H        LYS  76  -8.715 -19.457 -13.876
  603    HA   LYS  76           HA       LYS  76  -5.951 -20.181 -13.092
  604    HB2  LYS  76           HB2      LYS  76  -4.977 -18.912 -14.938
  605    HB3  LYS  76           HB3      LYS  76  -5.915 -20.291 -15.510
  606    HG2  LYS  76           HG2      LYS  76  -7.793 -18.758 -16.118
  607    HG3  LYS  76           HG3      LYS  76  -6.868 -17.386 -15.498
  608    HD2  LYS  76           HD2      LYS  76  -6.692 -17.409 -17.886
  609    HD3  LYS  76           HD3      LYS  76  -5.108 -17.800 -17.201
  610    HE2  LYS  76           HE2      LYS  76  -5.518 -20.216 -17.637
  611    HE3  LYS  76           HE3      LYS  76  -7.124 -19.834 -18.274
  612    HZ1  LYS  76           HZ1      LYS  76  -6.047 -18.581 -20.051
  613    HZ2  LYS  76           HZ2      LYS  76  -4.562 -18.929 -19.461
  614    HZ3  LYS  76           HZ3      LYS  76  -5.510 -20.118 -20.044
  615    H    ASP  77           H        ASP  77  -8.528 -17.877 -13.060
  616    HA   ASP  77           HA       ASP  77  -7.073 -16.038 -11.319
  617    HB2  ASP  77           HB2      ASP  77  -6.476 -15.186 -13.553
  618    HB3  ASP  77           HB3      ASP  77  -8.166 -15.235 -14.052
  619    H    MET  78           H        MET  78  -8.721 -14.576 -10.274
  620    HA   MET  78           HA       MET  78 -11.237 -16.132  -9.984
  621    HB2  MET  78           HB2      MET  78 -10.047 -13.885  -8.316
  622    HB3  MET  78           HB3      MET  78 -11.576 -14.697  -7.976
  623    HG2  MET  78           HG2      MET  78  -8.834 -16.026  -8.018
  624    HG3  MET  78           HG3      MET  78  -9.747 -15.552  -6.598
  625    HE1  MET  78           HE1      MET  78 -10.066 -19.503  -8.832
  626    HE2  MET  78           HE2      MET  78  -9.892 -18.026  -9.792
  627    HE3  MET  78           HE3      MET  78  -8.656 -18.452  -8.585
  628    H    TYR  79           H        TYR  79 -13.077 -15.503 -10.949
  629    HA   TYR  79           HA       TYR  79 -13.362 -12.691 -11.906
  630    HB2  TYR  79           HB2      TYR  79 -14.046 -15.344 -13.223
  631    HB3  TYR  79           HB3      TYR  79 -14.693 -13.809 -13.765
  632    HD1  TYR  79           HD2      TYR  79 -13.164 -12.031 -14.686
  633    HD2  TYR  79           HD1      TYR  79 -11.872 -16.075 -13.922
  634    HE1  TYR  79           HE2      TYR  79 -11.315 -11.736 -16.298
  635    HE2  TYR  79           HE1      TYR  79 -10.017 -15.795 -15.525
  636    HH   TYR  79           HH       TYR  79  -9.474 -12.733 -17.340
  637    H    VAL  80           H        VAL  80 -15.498 -11.877 -11.938
  638    HA   VAL  80           HA       VAL  80 -17.597 -13.481 -10.554
  639    HB   VAL  80           HB       VAL  80 -18.223 -11.382  -9.383
  640   HG11  VAL  80          HG11      VAL  80 -17.011 -13.135  -8.179
  641   HG12  VAL  80          HG12      VAL  80 -15.456 -12.429  -8.667
  642   HG13  VAL  80          HG13      VAL  80 -16.561 -11.538  -7.596
  643   HG21  VAL  80          HG21      VAL  80 -16.592  -9.578  -9.057
  644   HG22  VAL  80          HG22      VAL  80 -15.458 -10.348 -10.177
  645   HG23  VAL  80          HG23      VAL  80 -17.010  -9.713 -10.768
  646    H    GLU  81           H        GLU  81 -19.727 -13.000 -11.152
  647    HA   GLU  81           HA       GLU  81 -20.057 -11.688 -13.800
  648    HB2  GLU  81           HB2      GLU  81 -21.975 -13.171 -11.945
  649    HB3  GLU  81           HB3      GLU  81 -22.472 -12.321 -13.421
  650    HG2  GLU  81           HG2      GLU  81 -20.890 -13.755 -14.736
  651    HG3  GLU  81           HG3      GLU  81 -20.538 -14.661 -13.264
  652    H    VAL  82           H        VAL  82 -21.085  -9.685 -13.982
  653    HA   VAL  82           HA       VAL  82 -21.727  -8.248 -11.484
  654    HB   VAL  82           HB       VAL  82 -19.253  -8.169 -12.965
  655   HG11  VAL  82          HG11      VAL  82 -20.625  -5.479 -13.053
  656   HG12  VAL  82          HG12      VAL  82 -18.898  -5.801 -13.342
  657   HG13  VAL  82          HG13      VAL  82 -20.113  -6.477 -14.434
  658   HG21  VAL  82          HG21      VAL  82 -20.254  -6.636 -10.560
  659   HG22  VAL  82          HG22      VAL  82 -19.368  -8.174 -10.589
  660   HG23  VAL  82          HG23      VAL  82 -18.565  -6.690 -11.115
  661    H    ALA  83           H        ALA  83 -23.239  -6.704 -11.745
  662    HA   ALA  83           HA       ALA  83 -24.312  -6.250 -14.507
  663    HB1  ALA  83           HB1      ALA  83 -25.809  -6.186 -11.865
  664    HB2  ALA  83           HB2      ALA  83 -26.477  -5.791 -13.466
  665    HB3  ALA  83           HB3      ALA  83 -25.928  -7.441 -13.127
  666    H    ASP  84           H        ASP  84 -24.490  -4.184 -15.197
  667    HA   ASP  84           HA       ASP  84 -22.747  -2.289 -13.827
  668    HB2  ASP  84           HB2      ASP  84 -22.517  -2.760 -16.208
  669    HB3  ASP  84           HB3      ASP  84 -24.171  -2.196 -16.498
  670    H    ILE  85           H        ILE  85 -24.489  -2.255 -12.037
  671    HA   ILE  85           HA       ILE  85 -26.833  -0.688 -12.367
  672    HB   ILE  85           HB       ILE  85 -26.800  -0.379  -9.956
  673   HG12  ILE  85          HG12      ILE  85 -24.088  -1.720  -9.931
  674   HG13  ILE  85          HG13      ILE  85 -24.352  -0.002  -9.650
  675   HG21  ILE  85          HG21      ILE  85 -25.974  -3.226 -10.674
  676   HG22  ILE  85          HG22      ILE  85 -27.076  -2.703  -9.381
  677   HG23  ILE  85          HG23      ILE  85 -27.554  -2.514 -11.064
  678   HD11  ILE  85          HD11      ILE  85 -25.706  -0.517  -7.647
  679   HD12  ILE  85          HD12      ILE  85 -25.406  -2.253  -7.889
  680   HD13  ILE  85          HD13      ILE  85 -24.060  -1.176  -7.531
  681    H    GLY  86           H        GLY  86 -23.525   0.354 -12.434
  682    HA2  GLY  86           HA2      GLY  86 -24.092   3.163 -11.846
  683    HA3  GLY  86           HA3      GLY  86 -22.561   2.429 -12.348
  684    H    GLY  87           H        GLY  87 -24.663   1.194 -14.586
  685    HA2  GLY  87           HA2      GLY  87 -24.728   3.545 -16.401
  686    HA3  GLY  87           HA3      GLY  87 -23.696   2.169 -16.808
  687    H    LYS  88           H        LYS  88 -24.639   0.230 -17.543
  688    HA   LYS  88           HA       LYS  88 -27.040   0.589 -19.025
  689    HB2  LYS  88           HB2      LYS  88 -25.755  -2.052 -18.212
  690    HB3  LYS  88           HB3      LYS  88 -26.922  -1.829 -19.500
  691    HG2  LYS  88           HG2      LYS  88 -24.066  -0.769 -19.467
  692    HG3  LYS  88           HG3      LYS  88 -24.709  -2.124 -20.380
  693    HD2  LYS  88           HD2      LYS  88 -24.645  -0.527 -22.008
  694    HD3  LYS  88           HD3      LYS  88 -26.321  -0.371 -21.472
  695    HE2  LYS  88           HE2      LYS  88 -25.633   1.584 -20.044
  696    HE3  LYS  88           HE3      LYS  88 -23.966   1.372 -20.583
  697    HZ1  LYS  88           HZ1      LYS  88 -24.701   1.867 -22.842
  698    HZ2  LYS  88           HZ2      LYS  88 -26.248   2.057 -22.350
  699    HZ3  LYS  88           HZ3      LYS  88 -25.095   3.091 -21.845
  700    H    ASP  89           H        ASP  89 -26.591  -0.777 -15.833
  701    HA   ASP  89           HA       ASP  89 -27.829  -1.540 -14.210
  702    HB2  ASP  89           HB2      ASP  89 -28.807   0.687 -14.338
  703    HB3  ASP  89           HB3      ASP  89 -30.029   0.111 -15.476
  704    H    ASP  90           H        ASP  90 -29.200  -2.231 -17.327
  705    HA   ASP  90           HA       ASP  90 -30.737  -4.547 -16.274
  706    HB2  ASP  90           HB2      ASP  90 -31.901  -2.632 -17.402
  707    HB3  ASP  90           HB3      ASP  90 -30.948  -2.968 -18.852
  708    H    ASP  91           H        ASP  91 -27.744  -4.205 -17.253
  709    HA   ASP  91           HA       ASP  91 -27.723  -6.714 -18.820
  710    HB2  ASP  91           HB2      ASP  91 -27.444  -4.690 -20.368
  711    HB3  ASP  91           HB3      ASP  91 -25.888  -4.439 -19.553
  712    H    VAL  92           H        VAL  92 -25.625  -7.716 -18.850
  713    HA   VAL  92           HA       VAL  92 -24.123  -7.372 -16.318
  714    HB   VAL  92           HB       VAL  92 -25.969  -8.892 -15.989
  715   HG11  VAL  92          HG11      VAL  92 -24.968 -10.533 -18.349
  716   HG12  VAL  92          HG12      VAL  92 -26.270 -10.992 -17.234
  717   HG13  VAL  92          HG13      VAL  92 -26.478  -9.595 -18.282
  718   HG21  VAL  92          HG21      VAL  92 -23.402 -10.506 -16.194
  719   HG22  VAL  92          HG22      VAL  92 -23.987  -9.568 -14.797
  720   HG23  VAL  92          HG23      VAL  92 -24.872 -10.990 -15.334
  721    H    TYR  93           H        TYR  93 -22.045  -8.154 -16.282
  722    HA   TYR  93           HA       TYR  93 -20.740  -9.157 -18.754
  723    HB2  TYR  93           HB2      TYR  93 -19.749  -6.902 -16.947
  724    HB3  TYR  93           HB3      TYR  93 -18.904  -7.553 -18.338
  725    HD1  TYR  93           HD1      TYR  93 -19.672  -7.083 -20.653
  726    HD2  TYR  93           HD2      TYR  93 -21.554  -5.275 -17.213
  727    HE1  TYR  93           HE1      TYR  93 -20.671  -5.352 -22.114
  728    HE2  TYR  93           HE2      TYR  93 -22.569  -3.552 -18.662
  729    HH   TYR  93           HH       TYR  93 -22.716  -2.694 -20.837
  730    H    THR  94           H        THR  94 -18.240  -9.491 -17.847
  731    HA   THR  94           HA       THR  94 -18.351 -10.756 -15.161
  732    HB   THR  94           HB       THR  94 -16.757 -11.720 -17.572
  733    HG1  THR  94           HG1      THR  94 -18.958 -12.208 -17.728
  734   HG21  THR  94          HG21      THR  94 -17.046 -12.891 -14.767
  735   HG22  THR  94          HG22      THR  94 -16.257 -13.698 -16.141
  736   HG23  THR  94          HG23      THR  94 -15.570 -12.211 -15.479
  737    H    ALA  95           H        ALA  95 -16.561 -10.258 -13.882
  738    HA   ALA  95           HA       ALA  95 -14.602  -8.280 -14.939
  739    HB1  ALA  95           HB1      ALA  95 -16.195  -8.055 -12.346
  740    HB2  ALA  95           HB2      ALA  95 -14.909  -6.950 -12.875
  741    HB3  ALA  95           HB3      ALA  95 -16.426  -7.048 -13.790
  742    H    LYS  96           H        LYS  96 -12.637  -8.218 -13.748
  743    HA   LYS  96           HA       LYS  96 -11.810 -10.786 -12.573
  744    HB2  LYS  96           HB2      LYS  96 -10.337  -8.106 -12.663
  745    HB3  LYS  96           HB3      LYS  96  -9.677  -9.639 -12.155
  746    HG2  LYS  96           HG2      LYS  96  -8.799  -9.202 -14.286
  747    HG3  LYS  96           HG3      LYS  96  -9.930 -10.530 -14.457
  748    HD2  LYS  96           HD2      LYS  96  -9.964  -8.909 -16.353
  749    HD3  LYS  96           HD3      LYS  96 -11.522  -9.151 -15.605
  750    HE2  LYS  96           HE2      LYS  96 -11.351  -6.825 -16.066
  751    HE3  LYS  96           HE3      LYS  96 -11.200  -6.989 -14.318
  752    HZ1  LYS  96           HZ1      LYS  96  -9.600  -5.462 -15.043
  753    HZ2  LYS  96           HZ2      LYS  96  -8.732  -6.808 -14.690
  754    HZ3  LYS  96           HZ3      LYS  96  -9.037  -6.427 -16.252
  755    H    LEU  97           H        LEU  97 -11.920 -11.189 -10.325
  756    HA   LEU  97           HA       LEU  97 -13.196  -9.270  -8.594
  757    HB2  LEU  97           HB2      LEU  97 -13.184 -11.716  -8.153
  758    HB3  LEU  97           HB3      LEU  97 -11.435 -11.662  -7.901
  759    HG   LEU  97           HG       LEU  97 -11.732 -10.190  -5.935
  760   HD11  LEU  97          HD11      LEU  97 -13.769  -8.951  -6.493
  761   HD12  LEU  97          HD12      LEU  97 -14.720 -10.454  -6.529
  762   HD13  LEU  97          HD13      LEU  97 -14.052  -9.841  -5.008
  763   HD21  LEU  97          HD21      LEU  97 -12.704 -11.855  -4.450
  764   HD22  LEU  97          HD22      LEU  97 -13.522 -12.642  -5.819
  765   HD23  LEU  97          HD23      LEU  97 -11.744 -12.652  -5.698
  766    H    SER  98           H        SER  98  -9.834 -10.034  -9.411
  767    HA   SER  98           HA       SER  98  -8.352  -8.520  -7.668
  768    HB2  SER  98           HB2      SER  98  -7.814  -8.777 -10.641
  769    HB3  SER  98           HB3      SER  98  -6.650  -8.805  -9.305
  770    HG   SER  98           HG       SER  98  -7.258 -10.904 -10.284
  771    H    ASP  99           H        ASP  99 -10.586  -7.259 -10.040
  772    HA   ASP  99           HA       ASP  99  -9.217  -4.627 -10.120
  773    HB2  ASP  99           HB2      ASP  99  -9.379  -6.103 -12.197
  774    HB3  ASP  99           HB3      ASP  99 -11.121  -5.819 -12.161
  775    H    ILE 100           H        ILE 100 -11.350  -5.915  -8.294
  776    HA   ILE 100           HA       ILE 100 -13.323  -3.685  -8.400
  777    HB   ILE 100           HB       ILE 100 -13.660  -6.635  -8.261
  778   HG12  ILE 100          HG12      ILE 100 -15.498  -4.365  -9.125
  779   HG13  ILE 100          HG13      ILE 100 -14.282  -5.122 -10.175
  780   HG21  ILE 100          HG21      ILE 100 -15.750  -6.667  -7.038
  781   HG22  ILE 100          HG22      ILE 100 -14.474  -6.103  -5.983
  782   HG23  ILE 100          HG23      ILE 100 -15.623  -4.933  -6.682
  783   HD11  ILE 100          HD11      ILE 100 -15.484  -7.311  -9.860
  784   HD12  ILE 100          HD12      ILE 100 -16.777  -6.402  -9.025
  785   HD13  ILE 100          HD13      ILE 100 -16.397  -6.047 -10.716
  786    H    GLU 101           H        GLU 101 -14.121  -2.956  -6.552
  787    HA   GLU 101           HA       GLU 101 -12.676  -3.493  -3.996
  788    HB2  GLU 101           HB2      GLU 101 -12.068  -1.306  -4.866
  789    HB3  GLU 101           HB3      GLU 101 -13.764  -0.904  -5.184
  790    HG2  GLU 101           HG2      GLU 101 -14.275  -0.805  -2.826
  791    HG3  GLU 101           HG3      GLU 101 -12.714  -1.511  -2.402
  792    H    ALA 102           H        ALA 102 -14.068  -4.436  -2.572
  793    HA   ALA 102           HA       ALA 102 -16.874  -4.746  -3.308
  794    HB1  ALA 102           HB1      ALA 102 -16.949  -6.232  -1.392
  795    HB2  ALA 102           HB2      ALA 102 -15.483  -6.565  -2.331
  796    HB3  ALA 102           HB3      ALA 102 -15.373  -5.652  -0.808
  797    H    ILE 103           H        ILE 103 -18.607  -3.794  -2.359
  798    HA   ILE 103           HA       ILE 103 -18.205  -1.841  -0.136
  799    HB   ILE 103           HB       ILE 103 -19.669  -1.568  -2.774
  800   HG12  ILE 103          HG12      ILE 103 -17.531   0.207  -1.511
  801   HG13  ILE 103          HG13      ILE 103 -17.194  -1.044  -2.704
  802   HG21  ILE 103          HG21      ILE 103 -20.520   0.625  -2.013
  803   HG22  ILE 103          HG22      ILE 103 -21.148  -0.663  -1.010
  804   HG23  ILE 103          HG23      ILE 103 -19.815   0.349  -0.405
  805   HD11  ILE 103          HD11      ILE 103 -18.649   0.086  -4.345
  806   HD12  ILE 103          HD12      ILE 103 -18.844   1.445  -3.206
  807   HD13  ILE 103          HD13      ILE 103 -17.241   1.041  -3.832
  808    H    ASP 104           H        ASP 104 -19.758  -1.872   1.426
  809    HA   ASP 104           HA       ASP 104 -21.400  -2.594   2.739
  810    HB2  ASP 104           HB2      ASP 104 -22.680  -1.346   1.021
  811    HB3  ASP 104           HB3      ASP 104 -23.017  -2.863   0.188
  812    H    VAL 105           H        VAL 105 -19.563  -4.669   1.705
  813    HA   VAL 105           HA       VAL 105 -21.119  -7.142   1.630
  814    HB   VAL 105           HB       VAL 105 -18.711  -8.118   1.807
  815   HG11  VAL 105          HG11      VAL 105 -20.078  -8.129  -0.163
  816   HG12  VAL 105          HG12      VAL 105 -19.558  -6.476  -0.591
  817   HG13  VAL 105          HG13      VAL 105 -18.390  -7.828  -0.584
  818   HG21  VAL 105          HG21      VAL 105 -16.874  -6.775   1.174
  819   HG22  VAL 105          HG22      VAL 105 -17.872  -5.327   0.932
  820   HG23  VAL 105          HG23      VAL 105 -17.619  -5.979   2.571
  821    H    ASP 106           H        ASP 106 -20.565  -8.923   3.056
  822    HA   ASP 106           HA       ASP 106 -20.699  -8.249   5.913
  823    HB2  ASP 106           HB2      ASP 106 -21.879 -10.222   5.028
  824    HB3  ASP 106           HB3      ASP 106 -20.341 -10.886   4.441
  825    H    ASP 107           H        ASP 107 -19.023  -9.031   7.397
  826    HA   ASP 107           HA       ASP 107 -16.392  -8.154   6.749
  827    HB2  ASP 107           HB2      ASP 107 -17.266  -8.219   9.036
  828    HB3  ASP 107           HB3      ASP 107 -17.397  -9.978   8.966
  829    H    ASP 108           H        ASP 108 -17.768 -11.527   6.749
  830    HA   ASP 108           HA       ASP 108 -15.108 -12.616   6.324
  831    HB2  ASP 108           HB2      ASP 108 -17.215 -13.763   7.375
  832    HB3  ASP 108           HB3      ASP 108 -17.663 -14.106   5.694
  833    H    THR 109           H        THR 109 -17.670 -11.403   4.287
  834    HA   THR 109           HA       THR 109 -16.759 -12.616   1.787
  835    HB   THR 109           HB       THR 109 -18.637 -10.315   2.465
  836    HG1  THR 109           HG1      THR 109 -19.208 -12.527   3.024
  837   HG21  THR 109          HG21      THR 109 -18.406 -11.712  -0.218
  838   HG22  THR 109          HG22      THR 109 -19.503 -10.408   0.223
  839   HG23  THR 109          HG23      THR 109 -17.760 -10.091   0.110
  840    H    GLN 110           H        GLN 110 -16.492  -9.353   3.396
  841    HA   GLN 110           HA       GLN 110 -14.792  -8.198   1.490
  842    HB2  GLN 110           HB2      GLN 110 -16.029  -7.228   3.623
  843    HB3  GLN 110           HB3      GLN 110 -14.536  -7.597   4.461
  844    HG2  GLN 110           HG2      GLN 110 -14.839  -5.801   2.006
  845    HG3  GLN 110           HG3      GLN 110 -14.669  -5.247   3.662
  846   HE21  GLN 110          HE22      GLN 110 -12.939  -5.819   0.813
  847   HE22  GLN 110          HE21      GLN 110 -11.341  -5.919   1.499
  848    H    GLU 111           H        GLU 111 -13.941 -10.035   4.497
  849    HA   GLU 111           HA       GLU 111 -11.149  -9.751   4.172
  850    HB2  GLU 111           HB2      GLU 111 -12.890 -11.744   5.663
  851    HB3  GLU 111           HB3      GLU 111 -11.139 -11.872   5.686
  852    HG2  GLU 111           HG2      GLU 111 -12.709  -9.404   6.572
  853    HG3  GLU 111           HG3      GLU 111 -12.038 -10.632   7.643
  854    H    ALA 112           H        ALA 112 -13.368 -12.215   2.757
  855    HA   ALA 112           HA       ALA 112 -11.236 -13.910   1.830
  856    HB1  ALA 112           HB1      ALA 112 -13.608 -14.627   1.997
  857    HB2  ALA 112           HB2      ALA 112 -14.032 -13.524   0.664
  858    HB3  ALA 112           HB3      ALA 112 -12.931 -14.893   0.385
  859    H    ILE 113           H        ILE 113 -12.961 -11.113   0.393
  860    HA   ILE 113           HA       ILE 113 -11.632 -11.230  -2.153
  861    HB   ILE 113           HB       ILE 113 -13.045  -8.958  -0.687
  862   HG12  ILE 113          HG12      ILE 113 -14.051 -10.762  -2.936
  863   HG13  ILE 113          HG13      ILE 113 -14.384 -11.055  -1.248
  864   HG21  ILE 113          HG21      ILE 113 -13.239  -7.880  -2.939
  865   HG22  ILE 113          HG22      ILE 113 -11.575  -7.994  -2.391
  866   HG23  ILE 113          HG23      ILE 113 -12.174  -9.137  -3.606
  867   HD11  ILE 113          HD11      ILE 113 -15.467  -8.788  -1.097
  868   HD12  ILE 113          HD12      ILE 113 -15.353  -8.712  -2.881
  869   HD13  ILE 113          HD13      ILE 113 -16.294  -9.992  -2.101
  870    H    ALA 114           H        ALA 114 -10.994  -9.399   0.888
  871    HA   ALA 114           HA       ALA 114  -8.709  -7.993  -0.011
  872    HB1  ALA 114           HB1      ALA 114  -8.179  -7.749   2.364
  873    HB2  ALA 114           HB2      ALA 114  -9.919  -7.526   2.117
  874    HB3  ALA 114           HB3      ALA 114  -9.304  -9.052   2.789
  875    H    ASP 115           H        ASP 115  -9.039 -11.281   1.421
  876    HA   ASP 115           HA       ASP 115  -6.246 -11.773   1.599
  877    HB2  ASP 115           HB2      ASP 115  -8.167 -13.023   2.744
  878    HB3  ASP 115           HB3      ASP 115  -8.350 -13.929   1.240
  879    H    TRP 116           H        TRP 116  -8.614 -12.417  -1.048
  880    HA   TRP 116           HA       TRP 116  -6.772 -13.707  -2.821
  881    HB2  TRP 116           HB2      TRP 116  -9.116 -13.787  -3.354
  882    HB3  TRP 116           HB3      TRP 116  -9.260 -12.035  -3.315
  883    HD1  TRP 116           HD1      TRP 116  -9.188 -10.882  -5.573
  884    HE1  TRP 116           HE1      TRP 116  -8.191 -11.336  -7.899
  885    HE3  TRP 116           HE3      TRP 116  -6.942 -15.390  -4.644
  886    HZ2  TRP 116           HZ2      TRP 116  -6.587 -13.356  -9.159
  887    HZ3  TRP 116           HZ3      TRP 116  -5.696 -16.556  -6.420
  888    HH2  TRP 116           HH2      TRP 116  -5.493 -15.548  -8.692
  889    H    LEU 117           H        LEU 117  -7.621 -10.228  -2.403
  890    HA   LEU 117           HA       LEU 117  -5.959  -9.283  -4.501
  891    HB2  LEU 117           HB2      LEU 117  -6.963  -7.980  -1.940
  892    HB3  LEU 117           HB3      LEU 117  -6.058  -7.093  -3.156
  893    HG   LEU 117           HG       LEU 117  -8.605  -8.598  -3.882
  894   HD11  LEU 117          HD11      LEU 117  -9.817  -6.462  -3.622
  895   HD12  LEU 117          HD12      LEU 117  -9.183  -7.054  -2.080
  896   HD13  LEU 117          HD13      LEU 117  -8.361  -5.718  -2.918
  897   HD21  LEU 117          HD21      LEU 117  -7.155  -7.896  -5.762
  898   HD22  LEU 117          HD22      LEU 117  -8.682  -7.000  -5.742
  899   HD23  LEU 117          HD23      LEU 117  -7.191  -6.224  -5.169
  900    H    TYR 118           H        TYR 118  -5.277  -9.693  -0.973
  901    HA   TYR 118           HA       TYR 118  -2.582  -8.782  -1.098
  902    HB2  TYR 118           HB2      TYR 118  -3.802 -10.827   0.793
  903    HB3  TYR 118           HB3      TYR 118  -2.270 -10.000   1.022
  904    HD1  TYR 118           HD2      TYR 118  -3.166  -7.136   0.237
  905    HD2  TYR 118           HD1      TYR 118  -4.902 -10.162   2.784
  906    HE1  TYR 118           HE2      TYR 118  -4.326  -5.383   1.517
  907    HE2  TYR 118           HE1      TYR 118  -6.071  -8.406   4.074
  908    HH   TYR 118           HH       TYR 118  -5.781  -4.911   3.281
  909    H    TRP 119           H        TRP 119  -3.943 -12.151  -1.442
  910    HA   TRP 119           HA       TRP 119  -1.439 -13.435  -1.691
  911    HB2  TRP 119           HB2      TRP 119  -3.345 -14.801  -1.398
  912    HB3  TRP 119           HB3      TRP 119  -4.219 -14.039  -2.722
  913    HD1  TRP 119           HD1      TRP 119  -3.980 -14.968  -5.071
  914    HE1  TRP 119           HE1      TRP 119  -2.696 -16.866  -6.199
  915    HE3  TRP 119           HE3      TRP 119  -0.975 -16.304  -1.153
  916    HZ2  TRP 119           HZ2      TRP 119  -0.563 -18.718  -5.485
  917    HZ3  TRP 119           HZ3      TRP 119   0.685 -18.128  -1.408
  918    HH2  TRP 119           HH2      TRP 119   0.901 -19.339  -3.570
  919    H    LEU 120           H        LEU 120  -3.504 -11.890  -4.219
  920    HA   LEU 120           HA       LEU 120  -1.954 -12.846  -6.375
  921    HB2  LEU 120           HB2      LEU 120  -4.282 -11.937  -6.523
  922    HB3  LEU 120           HB3      LEU 120  -3.655 -10.318  -6.203
  923    HG   LEU 120           HG       LEU 120  -2.304 -10.441  -8.310
  924   HD11  LEU 120          HD11      LEU 120  -2.843 -12.247  -9.958
  925   HD12  LEU 120          HD12      LEU 120  -2.001 -12.866  -8.538
  926   HD13  LEU 120          HD13      LEU 120  -3.753 -13.105  -8.693
  927   HD21  LEU 120          HD21      LEU 120  -4.223 -10.227  -9.844
  928   HD22  LEU 120          HD22      LEU 120  -5.275 -11.003  -8.638
  929   HD23  LEU 120          HD23      LEU 120  -4.538  -9.423  -8.298
  930    H    ALA 121           H        ALA 121  -1.779  -9.824  -4.488
  931    HA   ALA 121           HA       ALA 121   0.421  -8.686  -5.958
  932    HB1  ALA 121           HB1      ALA 121  -0.843  -8.169  -3.239
  933    HB2  ALA 121           HB2      ALA 121   0.457  -7.157  -3.936
  934    HB3  ALA 121           HB3      ALA 121  -1.122  -7.289  -4.745
  935    H    ARG 122           H        ARG 122   0.213 -10.740  -3.025
  936    HA   ARG 122           HA       ARG 122   2.935 -10.647  -2.244
  937    HB2  ARG 122           HB2      ARG 122   1.061 -11.527  -0.869
  938    HB3  ARG 122           HB3      ARG 122   0.829 -12.839  -2.005
  939    HG2  ARG 122           HG2      ARG 122   1.833 -13.705  -0.088
  940    HG3  ARG 122           HG3      ARG 122   3.038 -13.790  -1.367
  941    HD2  ARG 122           HD2      ARG 122   4.305 -11.989  -0.410
  942    HD3  ARG 122           HD3      ARG 122   2.958 -11.507   0.648
  943    HE   ARG 122           HE       ARG 122   3.541 -14.174   1.289
  944   HH11  ARG 122          HH21      ARG 122   5.148 -10.998   1.593
  945   HH12  ARG 122          HH22      ARG 122   5.963 -11.434   3.059
  946   HH21  ARG 122          HH11      ARG 122   4.559 -14.654   3.273
  947   HH22  ARG 122          HH12      ARG 122   5.768 -13.577   3.914
  948    H    GLY 123           H        GLY 123   1.284 -12.444  -4.808
  949    HA2  GLY 123           HA2      GLY 123   3.143 -12.589  -6.614
  950    HA3  GLY 123           HA3      GLY 123   3.765 -13.884  -5.583
  951    H    TYR 124           H        TYR 124   2.080 -13.452  -8.316
  952    HA   TYR 124           HA       TYR 124   0.049 -15.536  -8.050
  953    HB2  TYR 124           HB2      TYR 124  -0.114 -13.631  -9.654
  954    HB3  TYR 124           HB3      TYR 124   1.310 -14.207 -10.490
  955    HD1  TYR 124           HD2      TYR 124  -2.218 -15.080  -9.583
  956    HD2  TYR 124           HD1      TYR 124   1.130 -15.921 -12.174
  957    HE1  TYR 124           HE2      TYR 124  -3.690 -16.432 -11.032
  958    HE2  TYR 124           HE1      TYR 124  -0.330 -17.307 -13.616
  959    HH   TYR 124           HH       TYR 124  -3.836 -17.732 -12.925
  960    H    LYS 125           H        LYS 125   1.496 -17.099  -6.980
  961    HA   LYS 125           HA       LYS 125   3.481 -18.394  -8.803
  962    HB2  LYS 125           HB2      LYS 125   3.674 -17.784  -5.823
  963    HB3  LYS 125           HB3      LYS 125   4.850 -18.741  -6.712
  964    HG2  LYS 125           HG2      LYS 125   4.254 -15.809  -7.274
  965    HG3  LYS 125           HG3      LYS 125   5.589 -16.427  -6.307
  966    HD2  LYS 125           HD2      LYS 125   6.470 -17.651  -8.284
  967    HD3  LYS 125           HD3      LYS 125   5.157 -16.981  -9.277
  968    HE2  LYS 125           HE2      LYS 125   5.930 -14.683  -8.756
  969    HE3  LYS 125           HE3      LYS 125   7.238 -15.342  -7.765
  970    HZ1  LYS 125           HZ1      LYS 125   8.141 -16.381  -9.763
  971    HZ2  LYS 125           HZ2      LYS 125   6.932 -15.772 -10.682
  972    HZ3  LYS 125           HZ3      LYS 125   8.007 -14.773  -9.977
  973    H    PHE 126           H        PHE 126   0.526 -19.123  -7.689
  974    HA   PHE 126           HA       PHE 126   1.112 -21.755  -6.576
  975    HB2  PHE 126           HB2      PHE 126  -1.274 -22.267  -7.170
  976    HB3  PHE 126           HB3      PHE 126  -0.945 -21.130  -5.892
  977    HD1  PHE 126           HD2      PHE 126  -1.238 -20.551  -9.649
  978    HD2  PHE 126           HD1      PHE 126  -2.899 -19.934  -5.719
  979    HE1  PHE 126           HE2      PHE 126  -3.021 -19.141 -10.617
  980    HE2  PHE 126           HE1      PHE 126  -4.677 -18.533  -6.684
  981    HZ   PHE 126           HZ       PHE 126  -4.747 -18.116  -9.149
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   8.532  -3.080  -1.219
    2    H2   MET   1           H2       MET   1   8.330  -3.304   0.387
    3    H3   MET   1           H3       MET   1   9.807  -3.529  -0.294
    4    HA   MET   1           HA       MET   1   8.998  -5.384  -1.573
    5    HB2  MET   1           HB2      MET   1  10.030  -5.811   0.635
    6    HB3  MET   1           HB3      MET   1   8.451  -5.673   1.417
    7    HG2  MET   1           HG2      MET   1   7.637  -7.611   0.123
    8    HG3  MET   1           HG3      MET   1   9.197  -7.753  -0.687
    9    HE1  MET   1           HE1      MET   1  11.250  -8.941   0.260
   10    HE2  MET   1           HE2      MET   1  11.463  -7.582   1.391
   11    HE3  MET   1           HE3      MET   1  11.528  -9.254   1.987
   12    H    ALA   2           H        ALA   2   7.264  -6.128  -2.700
   13    HA   ALA   2           HA       ALA   2   4.679  -4.988  -2.389
   14    HB1  ALA   2           HB1      ALA   2   5.528  -7.502  -3.899
   15    HB2  ALA   2           HB2      ALA   2   4.038  -6.573  -4.147
   16    HB3  ALA   2           HB3      ALA   2   5.601  -5.836  -4.528
   17    H    SER   3           H        SER   3   6.067  -8.009  -1.094
   18    HA   SER   3           HA       SER   3   3.701  -9.304  -0.326
   19    HB2  SER   3           HB2      SER   3   6.330  -9.432   1.168
   20    HB3  SER   3           HB3      SER   3   5.134 -10.713   0.933
   21    HG   SER   3           HG       SER   3   5.684 -10.634  -1.333
   22    H    VAL   4           H        VAL   4   2.159  -7.937   0.689
   23    HA   VAL   4           HA       VAL   4   2.713  -6.321   2.957
   24    HB   VAL   4           HB       VAL   4   0.270  -6.416   3.360
   25   HG11  VAL   4          HG11      VAL   4   1.261  -4.801   1.770
   26   HG12  VAL   4          HG12      VAL   4   1.015  -5.949   0.437
   27   HG13  VAL   4          HG13      VAL   4  -0.379  -5.275   1.303
   28   HG21  VAL   4          HG21      VAL   4  -1.238  -7.554   1.860
   29   HG22  VAL   4          HG22      VAL   4   0.091  -8.249   0.923
   30   HG23  VAL   4          HG23      VAL   4  -0.188  -8.762   2.606
   31    H    GLU   5           H        GLU   5   2.524  -9.771   2.676
   32    HA   GLU   5           HA       GLU   5   3.266 -10.068   5.495
   33    HB2  GLU   5           HB2      GLU   5   1.156 -11.780   4.078
   34    HB3  GLU   5           HB3      GLU   5   1.926 -12.177   5.618
   35    HG2  GLU   5           HG2      GLU   5   0.973 -10.076   6.599
   36    HG3  GLU   5           HG3      GLU   5   0.103  -9.793   5.084
   37    H    ARG   6           H        ARG   6   5.077 -11.476   5.486
   38    HA   ARG   6           HA       ARG   6   5.802 -12.715   2.876
   39    HB2  ARG   6           HB2      ARG   6   6.823 -10.476   3.374
   40    HB3  ARG   6           HB3      ARG   6   7.458 -11.115   4.885
   41    HG2  ARG   6           HG2      ARG   6   9.213 -11.004   3.279
   42    HG3  ARG   6           HG3      ARG   6   8.885 -12.699   3.622
   43    HD2  ARG   6           HD2      ARG   6   7.595 -12.889   1.510
   44    HD3  ARG   6           HD3      ARG   6   7.804 -11.153   1.236
   45    HE   ARG   6           HE       ARG   6  10.212 -12.855   1.476
   46   HH11  ARG   6          HH11      ARG   6   8.091 -10.952  -0.701
   47   HH12  ARG   6          HH12      ARG   6   9.249 -10.921  -1.978
   48   HH21  ARG   6          HH21      ARG   6  11.728 -12.755  -0.231
   49   HH22  ARG   6          HH22      ARG   6  11.351 -11.948  -1.702
   50    H    ASP   7           H        ASP   7   5.695 -13.101   6.388
   51    HA   ASP   7           HA       ASP   7   7.850 -14.917   6.667
   52    HB2  ASP   7           HB2      ASP   7   6.806 -13.663   8.533
   53    HB3  ASP   7           HB3      ASP   7   5.344 -14.645   8.373
   54    H    GLU   8           H        GLU   8   7.951 -17.161   6.740
   55    HA   GLU   8           HA       GLU   8   6.501 -18.614   4.860
   56    HB2  GLU   8           HB2      GLU   8   8.089 -19.565   7.278
   57    HB3  GLU   8           HB3      GLU   8   7.546 -20.621   5.978
   58    HG2  GLU   8           HG2      GLU   8   9.439 -18.256   5.617
   59    HG3  GLU   8           HG3      GLU   8   9.928 -19.934   5.780
   60    H    THR   9           H        THR   9   5.653 -18.059   8.278
   61    HA   THR   9           HA       THR   9   3.897 -20.225   8.664
   62    HB   THR   9           HB       THR   9   3.562 -17.414   9.736
   63    HG1  THR   9           HG1      THR   9   5.596 -17.891  10.144
   64   HG21  THR   9          HG21      THR   9   2.719 -18.604  11.757
   65   HG22  THR   9          HG22      THR   9   1.718 -18.916  10.334
   66   HG23  THR   9          HG23      THR   9   2.868 -20.153  10.891
   67    H    ARG  10           H        ARG  10   3.265 -17.042   7.022
   68    HA   ARG  10           HA       ARG  10   0.470 -17.518   6.775
   69    HB2  ARG  10           HB2      ARG  10   1.512 -15.267   6.492
   70    HB3  ARG  10           HB3      ARG  10   2.332 -15.829   5.034
   71    HG2  ARG  10           HG2      ARG  10   0.428 -14.531   4.361
   72    HG3  ARG  10           HG3      ARG  10   0.122 -16.210   3.950
   73    HD2  ARG  10           HD2      ARG  10  -1.043 -16.091   6.443
   74    HD3  ARG  10           HD3      ARG  10  -1.244 -14.429   5.946
   75    HE   ARG  10           HE       ARG  10  -2.347 -16.884   4.699
   76   HH11  ARG  10          HH11      ARG  10  -2.398 -13.269   4.680
   77   HH12  ARG  10          HH12      ARG  10  -3.929 -13.247   3.823
   78   HH21  ARG  10          HH21      ARG  10  -4.360 -16.697   3.601
   79   HH22  ARG  10          HH22      ARG  10  -4.964 -15.141   3.135
   80    H    GLU  11           H        GLU  11   3.239 -18.400   4.700
   81    HA   GLU  11           HA       GLU  11   1.664 -19.373   2.528
   82    HB2  GLU  11           HB2      GLU  11   4.411 -20.447   3.253
   83    HB3  GLU  11           HB3      GLU  11   3.663 -20.317   1.668
   84    HG2  GLU  11           HG2      GLU  11   4.808 -18.092   3.390
   85    HG3  GLU  11           HG3      GLU  11   5.405 -18.672   1.842
   86    H    HIS  12           H        HIS  12   3.165 -20.966   5.381
   87    HA   HIS  12           HA       HIS  12   2.260 -23.607   4.868
   88    HB2  HIS  12           HB2      HIS  12   3.955 -23.375   6.461
   89    HB3  HIS  12           HB3      HIS  12   3.193 -21.998   7.240
   90    HD1  HIS  12           HD1      HIS  12   2.130 -25.757   6.948
   91    HD2  HIS  12           HD2      HIS  12   2.339 -22.459   9.555
   92    HE1  HIS  12           HE1      HIS  12   1.172 -26.546   9.168
   93    H    ARG  13           H        ARG  13   0.637 -20.882   6.659
   94    HA   ARG  13           HA       ARG  13  -1.551 -22.663   7.445
   95    HB2  ARG  13           HB2      ARG  13  -1.393 -19.614   7.462
   96    HB3  ARG  13           HB3      ARG  13  -2.736 -20.563   8.085
   97    HG2  ARG  13           HG2      ARG  13   0.035 -20.287   9.230
   98    HG3  ARG  13           HG3      ARG  13  -1.518 -20.009   9.997
   99    HD2  ARG  13           HD2      ARG  13  -0.258 -22.672   9.271
  100    HD3  ARG  13           HD3      ARG  13  -0.457 -22.009  10.899
  101    HE   ARG  13           HE       ARG  13  -3.041 -22.186   9.793
  102   HH11  ARG  13          HH21      ARG  13  -0.409 -24.522  10.415
  103   HH12  ARG  13          HH22      ARG  13  -1.501 -25.819  10.762
  104   HH21  ARG  13          HH11      ARG  13  -4.385 -23.813  10.110
  105   HH22  ARG  13          HH12      ARG  13  -3.880 -25.433  10.561
  106    H    ILE  14           H        ILE  14  -1.282 -20.153   4.831
  107    HA   ILE  14           HA       ILE  14  -3.915 -20.591   3.998
  108    HB   ILE  14           HB       ILE  14  -2.336 -18.707   3.319
  109   HG12  ILE  14          HG12      ILE  14  -4.188 -20.030   1.305
  110   HG13  ILE  14          HG13      ILE  14  -4.612 -18.908   2.606
  111   HG21  ILE  14          HG21      ILE  14  -0.526 -20.107   2.324
  112   HG22  ILE  14          HG22      ILE  14  -1.620 -20.512   0.979
  113   HG23  ILE  14          HG23      ILE  14  -1.103 -18.837   1.258
  114   HD11  ILE  14          HD11      ILE  14  -3.153 -17.164   1.440
  115   HD12  ILE  14          HD12      ILE  14  -3.091 -18.283   0.057
  116   HD13  ILE  14          HD13      ILE  14  -4.648 -17.643   0.613
  117    H    GLU  15           H        GLU  15  -0.906 -22.313   3.045
  118    HA   GLU  15           HA       GLU  15  -2.098 -24.044   1.172
  119    HB2  GLU  15           HB2      GLU  15   0.292 -23.734   1.377
  120    HB3  GLU  15           HB3      GLU  15   0.304 -24.478   2.989
  121    HG2  GLU  15           HG2      GLU  15  -0.173 -26.626   2.135
  122    HG3  GLU  15           HG3      GLU  15  -0.785 -25.991   0.602
  123    H    THR  16           H        THR  16  -1.429 -24.691   4.684
  124    HA   THR  16           HA       THR  16  -2.766 -27.171   4.546
  125    HB   THR  16           HB       THR  16  -2.508 -27.151   7.046
  126    HG1  THR  16           HG1      THR  16  -1.113 -24.730   6.582
  127   HG21  THR  16          HG21      THR  16  -0.782 -28.063   5.560
  128   HG22  THR  16          HG22      THR  16  -0.035 -26.463   5.393
  129   HG23  THR  16          HG23      THR  16  -0.061 -27.285   6.974
  130    H    GLU  17           H        GLU  17  -4.309 -24.157   4.599
  131    HA   GLU  17           HA       GLU  17  -6.746 -25.371   5.848
  132    HB2  GLU  17           HB2      GLU  17  -5.835 -22.481   5.663
  133    HB3  GLU  17           HB3      GLU  17  -7.422 -23.003   6.237
  134    HG2  GLU  17           HG2      GLU  17  -6.433 -24.275   8.066
  135    HG3  GLU  17           HG3      GLU  17  -4.805 -23.925   7.500
  136    H    ILE  18           H        ILE  18  -5.576 -23.665   2.920
  137    HA   ILE  18           HA       ILE  18  -8.359 -23.731   1.898
  138    HB   ILE  18           HB       ILE  18  -6.051 -21.943   1.089
  139   HG12  ILE  18          HG12      ILE  18  -8.261 -21.582   3.151
  140   HG13  ILE  18          HG13      ILE  18  -6.518 -21.427   3.375
  141   HG21  ILE  18          HG21      ILE  18  -7.738 -20.578  -0.014
  142   HG22  ILE  18          HG22      ILE  18  -7.819 -22.201  -0.654
  143   HG23  ILE  18          HG23      ILE  18  -9.024 -21.684   0.539
  144   HD11  ILE  18          HD11      ILE  18  -7.331 -19.232   3.434
  145   HD12  ILE  18          HD12      ILE  18  -6.645 -19.393   1.804
  146   HD13  ILE  18          HD13      ILE  18  -8.401 -19.477   2.043
  147    H    ILE  19           H        ILE  19  -5.046 -24.791   0.972
  148    HA   ILE  19           HA       ILE  19  -6.279 -26.026  -1.444
  149    HB   ILE  19           HB       ILE  19  -4.358 -25.387  -2.777
  150   HG12  ILE  19          HG12      ILE  19  -2.846 -24.806  -0.764
  151   HG13  ILE  19          HG13      ILE  19  -2.692 -23.944  -2.282
  152   HG21  ILE  19          HG21      ILE  19  -6.460 -24.228  -3.012
  153   HG22  ILE  19          HG22      ILE  19  -6.000 -23.034  -1.795
  154   HG23  ILE  19          HG23      ILE  19  -5.110 -23.133  -3.323
  155   HD11  ILE  19          HD11      ILE  19  -4.200 -22.829   0.094
  156   HD12  ILE  19          HD12      ILE  19  -2.527 -22.433  -0.337
  157   HD13  ILE  19          HD13      ILE  19  -3.843 -21.988  -1.425
  158    H    VAL  20           H        VAL  20  -5.586 -27.259   1.101
  159    HA   VAL  20           HA       VAL  20  -3.337 -28.905   0.968
  160    HB   VAL  20           HB       VAL  20  -4.805 -30.594   2.183
  161   HG11  VAL  20          HG11      VAL  20  -3.424 -28.916   3.327
  162   HG12  VAL  20          HG12      VAL  20  -4.782 -27.763   3.276
  163   HG13  VAL  20          HG13      VAL  20  -4.913 -29.260   4.222
  164   HG21  VAL  20          HG21      VAL  20  -6.931 -28.398   2.089
  165   HG22  VAL  20          HG22      VAL  20  -7.035 -29.975   1.272
  166   HG23  VAL  20          HG23      VAL  20  -6.980 -29.894   3.032
  167    H    ASP  21           H        ASP  21  -6.306 -29.138  -0.921
  168    HA   ASP  21           HA       ASP  21  -5.788 -31.868  -1.788
  169    HB2  ASP  21           HB2      ASP  21  -7.968 -31.851  -2.605
  170    HB3  ASP  21           HB3      ASP  21  -8.064 -30.877  -1.147
  171    H    ALA  22           H        ALA  22  -4.362 -29.081  -2.838
  172    HA   ALA  22           HA       ALA  22  -4.428 -29.836  -5.723
  173    HB1  ALA  22           HB1      ALA  22  -4.922 -27.118  -4.429
  174    HB2  ALA  22           HB2      ALA  22  -4.580 -27.350  -6.154
  175    HB3  ALA  22           HB3      ALA  22  -6.047 -28.048  -5.439
  176    H    GLU  23           H        GLU  23  -2.518 -29.442  -6.825
  177    HA   GLU  23           HA       GLU  23  -0.170 -28.477  -5.246
  178    HB2  GLU  23           HB2      GLU  23  -0.430 -31.018  -6.907
  179    HB3  GLU  23           HB3      GLU  23   1.073 -30.412  -6.201
  180    HG2  GLU  23           HG2      GLU  23   0.054 -30.579  -3.924
  181    HG3  GLU  23           HG3      GLU  23  -1.383 -31.312  -4.643
  182    H    ASP  24           H        ASP  24  -1.979 -27.762  -7.906
  183    HA   ASP  24           HA       ASP  24   0.336 -26.662  -9.419
  184    HB2  ASP  24           HB2      ASP  24  -0.358 -28.733 -10.561
  185    HB3  ASP  24           HB3      ASP  24  -2.044 -28.207 -10.537
  186    H    LYS  25           H        LYS  25  -0.215 -24.701 -10.535
  187    HA   LYS  25           HA       LYS  25  -1.839 -22.968  -9.103
  188    HB2  LYS  25           HB2      LYS  25  -1.459 -21.362 -10.874
  189    HB3  LYS  25           HB3      LYS  25   0.014 -22.287 -10.575
  190    HG2  LYS  25           HG2      LYS  25  -0.566 -23.743 -12.564
  191    HG3  LYS  25           HG3      LYS  25  -1.950 -22.681 -12.880
  192    HD2  LYS  25           HD2      LYS  25  -0.435 -20.768 -13.205
  193    HD3  LYS  25           HD3      LYS  25   0.967 -21.828 -12.895
  194    HE2  LYS  25           HE2      LYS  25   0.256 -23.297 -14.773
  195    HE3  LYS  25           HE3      LYS  25  -1.128 -22.249 -15.079
  196    HZ1  LYS  25           HZ1      LYS  25   0.429 -20.460 -15.627
  197    HZ2  LYS  25           HZ2      LYS  25   1.713 -21.432 -15.341
  198    HZ3  LYS  25           HZ3      LYS  25   0.704 -21.754 -16.577
  199    H    GLU  26           H        GLU  26  -2.864 -24.975 -11.932
  200    HA   GLU  26           HA       GLU  26  -5.322 -23.472 -12.317
  201    HB2  GLU  26           HB2      GLU  26  -4.357 -26.240 -13.170
  202    HB3  GLU  26           HB3      GLU  26  -5.957 -25.634 -13.562
  203    HG2  GLU  26           HG2      GLU  26  -4.960 -23.665 -14.708
  204    HG3  GLU  26           HG3      GLU  26  -3.343 -24.265 -14.339
  205    H    GLU  27           H        GLU  27  -4.374 -26.384 -10.476
  206    HA   GLU  27           HA       GLU  27  -7.047 -27.017  -9.579
  207    HB2  GLU  27           HB2      GLU  27  -4.324 -27.796  -8.445
  208    HB3  GLU  27           HB3      GLU  27  -5.864 -28.542  -8.023
  209    HG2  GLU  27           HG2      GLU  27  -4.570 -28.558 -10.788
  210    HG3  GLU  27           HG3      GLU  27  -4.535 -29.880  -9.630
  211    H    ARG  28           H        ARG  28  -4.319 -25.083  -8.296
  212    HA   ARG  28           HA       ARG  28  -5.652 -24.530  -5.783
  213    HB2  ARG  28           HB2      ARG  28  -3.231 -23.244  -7.138
  214    HB3  ARG  28           HB3      ARG  28  -3.835 -22.803  -5.526
  215    HG2  ARG  28           HG2      ARG  28  -3.687 -25.197  -4.852
  216    HG3  ARG  28           HG3      ARG  28  -2.910 -25.588  -6.378
  217    HD2  ARG  28           HD2      ARG  28  -0.943 -24.329  -5.787
  218    HD3  ARG  28           HD3      ARG  28  -1.765 -23.626  -4.377
  219    HE   ARG  28           HE       ARG  28  -1.776 -26.532  -4.357
  220   HH11  ARG  28          HH11      ARG  28   0.237 -23.757  -3.317
  221   HH12  ARG  28          HH12      ARG  28   0.905 -24.701  -1.986
  222   HH21  ARG  28          HH21      ARG  28  -0.910 -27.591  -2.622
  223   HH22  ARG  28          HH22      ARG  28   0.328 -26.791  -1.635
  224    H    ALA  29           H        ALA  29  -5.772 -22.977  -8.970
  225    HA   ALA  29           HA       ALA  29  -7.154 -20.611  -8.065
  226    HB1  ALA  29           HB1      ALA  29  -7.915 -20.393 -10.375
  227    HB2  ALA  29           HB2      ALA  29  -6.194 -20.816 -10.363
  228    HB3  ALA  29           HB3      ALA  29  -7.421 -22.048 -10.748
  229    H    MET  30           H        MET  30  -8.214 -23.954  -8.984
  230    HA   MET  30           HA       MET  30 -10.995 -23.416  -8.516
  231    HB2  MET  30           HB2      MET  30  -9.496 -26.049  -8.441
  232    HB3  MET  30           HB3      MET  30 -11.245 -25.865  -8.394
  233    HG2  MET  30           HG2      MET  30  -9.490 -24.895 -10.681
  234    HG3  MET  30           HG3      MET  30 -10.325 -26.436 -10.622
  235    HE1  MET  30           HE1      MET  30 -11.795 -22.438 -10.084
  236    HE2  MET  30           HE2      MET  30 -10.415 -22.733 -11.170
  237    HE3  MET  30           HE3      MET  30 -12.030 -22.398 -11.823
  238    H    GLY  31           H        GLY  31  -8.409 -24.607  -6.308
  239    HA2  GLY  31           HA2      GLY  31 -10.028 -25.019  -4.047
  240    HA3  GLY  31           HA3      GLY  31  -8.340 -24.494  -4.009
  241    H    TRP  32           H        TRP  32  -8.314 -21.966  -5.000
  242    HA   TRP  32           HA       TRP  32  -9.396 -20.250  -3.077
  243    HB2  TRP  32           HB2      TRP  32  -8.386 -19.867  -5.898
  244    HB3  TRP  32           HB3      TRP  32  -9.214 -18.550  -5.101
  245    HD1  TRP  32           HD1      TRP  32  -5.873 -20.260  -5.172
  246    HE1  TRP  32           HE1      TRP  32  -4.214 -18.971  -3.729
  247    HE3  TRP  32           HE3      TRP  32  -9.151 -17.094  -2.834
  248    HZ2  TRP  32           HZ2      TRP  32  -4.304 -16.857  -1.742
  249    HZ3  TRP  32           HZ3      TRP  32  -8.331 -15.455  -1.167
  250    HH2  TRP  32           HH2      TRP  32  -5.912 -15.322  -0.616
  251    H    TYR  33           H        TYR  33 -10.697 -20.990  -6.380
  252    HA   TYR  33           HA       TYR  33 -12.957 -19.350  -6.255
  253    HB2  TYR  33           HB2      TYR  33 -12.309 -20.292  -8.346
  254    HB3  TYR  33           HB3      TYR  33 -12.379 -21.933  -7.723
  255    HD1  TYR  33           HD1      TYR  33 -14.413 -19.127  -9.001
  256    HD2  TYR  33           HD2      TYR  33 -14.486 -23.132  -7.404
  257    HE1  TYR  33           HE1      TYR  33 -16.771 -19.368  -9.705
  258    HE2  TYR  33           HE2      TYR  33 -16.884 -23.316  -7.950
  259    HH   TYR  33           HH       TYR  33 -18.720 -22.297  -8.979
  260    H    TYR  34           H        TYR  34 -12.670 -22.807  -5.136
  261    HA   TYR  34           HA       TYR  34 -15.478 -23.073  -4.777
  262    HB2  TYR  34           HB2      TYR  34 -13.136 -24.610  -3.585
  263    HB3  TYR  34           HB3      TYR  34 -14.813 -25.035  -3.291
  264    HD1  TYR  34           HD1      TYR  34 -16.203 -24.892  -5.821
  265    HD2  TYR  34           HD2      TYR  34 -12.200 -26.267  -4.968
  266    HE1  TYR  34           HE1      TYR  34 -16.268 -26.320  -7.834
  267    HE2  TYR  34           HE2      TYR  34 -12.274 -27.731  -6.956
  268    HH   TYR  34           HH       TYR  34 -13.526 -28.439  -8.794
  269    H    TYR  35           H        TYR  35 -12.857 -22.344  -2.343
  270    HA   TYR  35           HA       TYR  35 -14.857 -22.195  -0.265
  271    HB2  TYR  35           HB2      TYR  35 -13.206 -21.970   1.196
  272    HB3  TYR  35           HB3      TYR  35 -12.200 -22.531  -0.120
  273    HD1  TYR  35           HD1      TYR  35 -10.744 -20.905  -1.341
  274    HD2  TYR  35           HD2      TYR  35 -13.141 -19.682   2.026
  275    HE1  TYR  35           HE1      TYR  35  -9.414 -18.834  -1.160
  276    HE2  TYR  35           HE2      TYR  35 -11.836 -17.595   2.214
  277    HH   TYR  35           HH       TYR  35 -10.083 -16.339   1.370
  278    H    LEU  36           H        LEU  36 -13.374 -19.776  -2.460
  279    HA   LEU  36           HA       LEU  36 -14.367 -17.471  -1.150
  280    HB2  LEU  36           HB2      LEU  36 -12.629 -17.380  -2.846
  281    HB3  LEU  36           HB3      LEU  36 -13.728 -18.042  -4.064
  282    HG   LEU  36           HG       LEU  36 -15.110 -16.012  -3.979
  283   HD11  LEU  36          HD11      LEU  36 -14.279 -13.983  -2.801
  284   HD12  LEU  36          HD12      LEU  36 -14.749 -15.249  -1.664
  285   HD13  LEU  36          HD13      LEU  36 -13.027 -14.961  -2.007
  286   HD21  LEU  36          HD21      LEU  36 -12.160 -15.347  -4.348
  287   HD22  LEU  36          HD22      LEU  36 -13.132 -16.281  -5.502
  288   HD23  LEU  36          HD23      LEU  36 -13.567 -14.612  -5.157
  289    H    ASP  37           H        ASP  37 -15.782 -19.350  -3.928
  290    HA   ASP  37           HA       ASP  37 -18.165 -17.846  -4.157
  291    HB2  ASP  37           HB2      ASP  37 -17.445 -19.459  -5.855
  292    HB3  ASP  37           HB3      ASP  37 -17.637 -20.792  -4.713
  293    H    ASP  38           H        ASP  38 -17.438 -20.736  -2.147
  294    HA   ASP  38           HA       ASP  38 -19.999 -20.948  -0.931
  295    HB2  ASP  38           HB2      ASP  38 -18.307 -22.718  -0.866
  296    HB3  ASP  38           HB3      ASP  38 -17.260 -21.712   0.138
  297    H    THR  39           H        THR  39 -17.431 -18.615  -0.303
  298    HA   THR  39           HA       THR  39 -18.471 -17.970   2.389
  299    HB   THR  39           HB       THR  39 -16.058 -16.957   0.829
  300    HG1  THR  39           HG1      THR  39 -15.765 -19.022   1.398
  301   HG21  THR  39          HG21      THR  39 -16.605 -15.230   2.394
  302   HG22  THR  39          HG22      THR  39 -17.001 -16.393   3.667
  303   HG23  THR  39          HG23      THR  39 -15.313 -16.176   3.146
  304    H    LEU  40           H        LEU  40 -18.251 -16.523  -0.888
  305    HA   LEU  40           HA       LEU  40 -18.990 -13.876  -0.206
  306    HB2  LEU  40           HB2      LEU  40 -19.482 -15.521  -2.716
  307    HB3  LEU  40           HB3      LEU  40 -19.876 -13.811  -2.603
  308    HG   LEU  40           HG       LEU  40 -17.063 -14.919  -2.278
  309   HD11  LEU  40          HD11      LEU  40 -18.374 -13.616  -4.698
  310   HD12  LEU  40          HD12      LEU  40 -16.670 -14.102  -4.564
  311   HD13  LEU  40          HD13      LEU  40 -17.938 -15.331  -4.537
  312   HD21  LEU  40          HD21      LEU  40 -17.117 -12.831  -1.192
  313   HD22  LEU  40          HD22      LEU  40 -16.388 -12.563  -2.769
  314   HD23  LEU  40          HD23      LEU  40 -18.077 -12.085  -2.506
  315    H    GLU  41           H        GLU  41 -20.843 -13.171   0.742
  316    HA   GLU  41           HA       GLU  41 -23.287 -14.757   0.768
  317    HB2  GLU  41           HB2      GLU  41 -22.489 -12.053   1.917
  318    HB3  GLU  41           HB3      GLU  41 -24.104 -12.740   2.124
  319    HG2  GLU  41           HG2      GLU  41 -21.625 -14.299   2.893
  320    HG3  GLU  41           HG3      GLU  41 -22.375 -13.143   3.993
  321    H    PHE  42           H        PHE  42 -22.785 -14.455  -1.750
  322    HA   PHE  42           HA       PHE  42 -23.692 -12.058  -3.001
  323    HB2  PHE  42           HB2      PHE  42 -23.520 -13.247  -5.092
  324    HB3  PHE  42           HB3      PHE  42 -22.154 -13.640  -4.083
  325    HD1  PHE  42           HD2      PHE  42 -25.417 -14.917  -5.394
  326    HD2  PHE  42           HD1      PHE  42 -21.663 -15.947  -3.523
  327    HE1  PHE  42           HE2      PHE  42 -25.881 -17.321  -5.771
  328    HE2  PHE  42           HE1      PHE  42 -22.137 -18.342  -3.901
  329    HZ   PHE  42           HZ       PHE  42 -24.246 -19.042  -5.021
  330    HA   PRO  43           HA       PRO  43 -24.832 -11.521  -5.125
  331    HB2  PRO  43           HB2      PRO  43 -26.835  -9.754  -5.628
  332    HB3  PRO  43           HB3      PRO  43 -26.764 -11.379  -6.375
  333    HG2  PRO  43           HG2      PRO  43 -28.354 -10.527  -3.937
  334    HG3  PRO  43           HG3      PRO  43 -28.921 -11.460  -5.359
  335    HD2  PRO  43           HD2      PRO  43 -28.144 -12.673  -3.032
  336    HD3  PRO  43           HD3      PRO  43 -27.828 -13.417  -4.626
  337    H    PHE  44           H        PHE  44 -24.009  -9.399  -4.921
  338    HA   PHE  44           HA       PHE  44 -24.611  -7.790  -2.524
  339    HB2  PHE  44           HB2      PHE  44 -22.351  -7.655  -1.796
  340    HB3  PHE  44           HB3      PHE  44 -22.871  -9.318  -1.737
  341    HD1  PHE  44           HD1      PHE  44 -21.995 -10.973  -3.489
  342    HD2  PHE  44           HD2      PHE  44 -20.366  -7.023  -3.005
  343    HE1  PHE  44           HE1      PHE  44 -19.894 -11.712  -4.558
  344    HE2  PHE  44           HE2      PHE  44 -18.259  -7.759  -4.065
  345    HZ   PHE  44           HZ       PHE  44 -18.001 -10.116  -4.820
  346    H    MET  45           H        MET  45 -22.607  -5.835  -2.891
  347    HA   MET  45           HA       MET  45 -22.713  -5.202  -5.775
  348    HB2  MET  45           HB2      MET  45 -23.593  -3.089  -5.551
  349    HB3  MET  45           HB3      MET  45 -24.659  -4.097  -4.594
  350    HG2  MET  45           HG2      MET  45 -24.049  -3.117  -2.602
  351    HG3  MET  45           HG3      MET  45 -22.415  -2.748  -3.118
  352    HE1  MET  45           HE1      MET  45 -22.726  -1.059  -5.876
  353    HE2  MET  45           HE2      MET  45 -22.661   0.541  -5.115
  354    HE3  MET  45           HE3      MET  45 -21.620  -0.764  -4.525
  355    H    GLY  46           H        GLY  46 -21.318  -3.453  -6.408
  356    HA2  GLY  46           HA2      GLY  46 -19.135  -2.675  -4.586
  357    HA3  GLY  46           HA3      GLY  46 -18.692  -3.870  -5.816
  358    H    LYS  47           H        LYS  47 -17.289  -1.798  -5.984
  359    HA   LYS  47           HA       LYS  47 -18.362  -0.309  -8.351
  360    HB2  LYS  47           HB2      LYS  47 -17.654   1.010  -6.198
  361    HB3  LYS  47           HB3      LYS  47 -16.017   0.514  -6.588
  362    HG2  LYS  47           HG2      LYS  47 -16.174   2.626  -7.583
  363    HG3  LYS  47           HG3      LYS  47 -16.474   1.540  -8.941
  364    HD2  LYS  47           HD2      LYS  47 -18.128   3.227  -9.128
  365    HD3  LYS  47           HD3      LYS  47 -18.977   1.837  -8.460
  366    HE2  LYS  47           HE2      LYS  47 -18.963   2.795  -6.236
  367    HE3  LYS  47           HE3      LYS  47 -17.867   4.089  -6.740
  368    HZ1  LYS  47           HZ1      LYS  47 -20.595   3.759  -7.864
  369    HZ2  LYS  47           HZ2      LYS  47 -20.235   4.763  -6.614
  370    HZ3  LYS  47           HZ3      LYS  47 -19.589   5.020  -8.087
  371    H    TRP  48           H        TRP  48 -17.525  -1.097 -10.200
  372    HA   TRP  48           HA       TRP  48 -15.065  -2.739 -10.182
  373    HB2  TRP  48           HB2      TRP  48 -16.992  -3.269 -11.693
  374    HB3  TRP  48           HB3      TRP  48 -16.751  -1.734 -12.503
  375    HD1  TRP  48           HD1      TRP  48 -13.338  -2.769 -12.091
  376    HE1  TRP  48           HE1      TRP  48 -12.409  -4.069 -14.017
  377    HE3  TRP  48           HE3      TRP  48 -17.753  -3.935 -14.424
  378    HZ2  TRP  48           HZ2      TRP  48 -13.436  -5.628 -16.249
  379    HZ3  TRP  48           HZ3      TRP  48 -17.724  -5.364 -16.455
  380    HH2  TRP  48           HH2      TRP  48 -15.572  -6.228 -17.352
  381    H    LYS  49           H        LYS  49 -13.261  -1.647  -9.890
  382    HA   LYS  49           HA       LYS  49 -13.011   1.228 -10.439
  383    HB2  LYS  49           HB2      LYS  49 -10.932  -0.766  -9.426
  384    HB3  LYS  49           HB3      LYS  49 -10.889   0.985  -9.248
  385    HG2  LYS  49           HG2      LYS  49 -12.890  -0.903  -7.913
  386    HG3  LYS  49           HG3      LYS  49 -11.439  -0.294  -7.162
  387    HD2  LYS  49           HD2      LYS  49 -13.629   1.585  -8.155
  388    HD3  LYS  49           HD3      LYS  49 -13.643   0.816  -6.566
  389    HE2  LYS  49           HE2      LYS  49 -11.240   1.732  -6.276
  390    HE3  LYS  49           HE3      LYS  49 -11.617   2.807  -7.632
  391    HZ1  LYS  49           HZ1      LYS  49 -13.204   2.609  -5.127
  392    HZ2  LYS  49           HZ2      LYS  49 -12.073   3.761  -5.418
  393    HZ3  LYS  49           HZ3      LYS  49 -13.415   3.733  -6.346
  394    H    LYS  50           H        LYS  50 -13.535   0.273 -12.875
  395    HA   LYS  50           HA       LYS  50 -11.525  -1.333 -14.154
  396    HB2  LYS  50           HB2      LYS  50 -13.837  -1.248 -14.929
  397    HB3  LYS  50           HB3      LYS  50 -13.725   0.484 -15.248
  398    HG2  LYS  50           HG2      LYS  50 -12.121   0.144 -17.035
  399    HG3  LYS  50           HG3      LYS  50 -12.004  -1.585 -16.679
  400    HD2  LYS  50           HD2      LYS  50 -14.507  -0.126 -17.652
  401    HD3  LYS  50           HD3      LYS  50 -13.387  -1.037 -18.676
  402    HE2  LYS  50           HE2      LYS  50 -13.863  -3.095 -17.319
  403    HE3  LYS  50           HE3      LYS  50 -15.069  -2.187 -16.402
  404    HZ1  LYS  50           HZ1      LYS  50 -16.278  -1.843 -18.499
  405    HZ2  LYS  50           HZ2      LYS  50 -15.170  -2.726 -19.315
  406    HZ3  LYS  50           HZ3      LYS  50 -16.096  -3.433 -18.173
  407    H    LYS  51           H        LYS  51  -9.488  -0.720 -14.784
  408    HA   LYS  51           HA       LYS  51  -8.664   2.067 -14.931
  409    HB2  LYS  51           HB2      LYS  51  -7.478  -0.516 -16.025
  410    HB3  LYS  51           HB3      LYS  51  -6.761   1.083 -16.313
  411    HG2  LYS  51           HG2      LYS  51  -6.584   1.453 -13.854
  412    HG3  LYS  51           HG3      LYS  51  -7.282  -0.144 -13.566
  413    HD2  LYS  51           HD2      LYS  51  -4.902  -0.290 -13.289
  414    HD3  LYS  51           HD3      LYS  51  -5.349  -1.191 -14.747
  415    HE2  LYS  51           HE2      LYS  51  -4.641   0.732 -16.155
  416    HE3  LYS  51           HE3      LYS  51  -4.264   1.668 -14.709
  417    HZ1  LYS  51           HZ1      LYS  51  -2.896  -0.837 -15.515
  418    HZ2  LYS  51           HZ2      LYS  51  -2.282   0.667 -15.650
  419    HZ3  LYS  51           HZ3      LYS  51  -2.548   0.032 -14.175
  420    H    SER  52           H        SER  52  -9.323   3.487 -16.475
  421    HA   SER  52           HA       SER  52 -11.364   2.885 -18.180
  422    HB2  SER  52           HB2      SER  52  -9.367   5.109 -18.722
  423    HB3  SER  52           HB3      SER  52 -11.111   5.087 -19.047
  424    HG   SER  52           HG       SER  52 -10.937   6.181 -17.186
  425    H    ARG  53           H        ARG  53  -7.909   2.992 -19.040
  426    HA   ARG  53           HA       ARG  53  -8.252   1.159 -21.244
  427    HB2  ARG  53           HB2      ARG  53  -7.026   3.916 -21.827
  428    HB3  ARG  53           HB3      ARG  53  -7.009   2.519 -22.885
  429    HG2  ARG  53           HG2      ARG  53  -8.665   3.688 -23.870
  430    HG3  ARG  53           HG3      ARG  53  -9.628   2.673 -22.804
  431    HD2  ARG  53           HD2      ARG  53  -9.678   4.631 -21.160
  432    HD3  ARG  53           HD3      ARG  53  -8.758   5.563 -22.321
  433    HE   ARG  53           HE       ARG  53 -10.608   5.817 -23.677
  434   HH11  ARG  53          HH11      ARG  53 -11.524   3.421 -21.227
  435   HH12  ARG  53          HH12      ARG  53 -13.098   4.080 -20.933
  436   HH21  ARG  53          HH21      ARG  53 -12.841   6.429 -23.621
  437   HH22  ARG  53          HH22      ARG  53 -13.936   5.608 -22.573
  438    H    LYS  54           H        LYS  54  -5.507   1.463 -22.118
  439    HA   LYS  54           HA       LYS  54  -4.006   0.579 -19.779
  440    HB2  LYS  54           HB2      LYS  54  -3.687  -0.323 -22.102
  441    HB3  LYS  54           HB3      LYS  54  -3.003   1.235 -22.582
  442    HG2  LYS  54           HG2      LYS  54  -1.191   0.929 -20.868
  443    HG3  LYS  54           HG3      LYS  54  -1.944  -0.586 -20.364
  444    HD2  LYS  54           HD2      LYS  54  -0.062  -1.083 -21.777
  445    HD3  LYS  54           HD3      LYS  54  -1.545  -1.536 -22.630
  446    HE2  LYS  54           HE2      LYS  54  -1.435   0.576 -23.941
  447    HE3  LYS  54           HE3      LYS  54   0.015   1.059 -23.053
  448    HZ1  LYS  54           HZ1      LYS  54   1.154  -0.861 -24.001
  449    HZ2  LYS  54           HZ2      LYS  54  -0.188  -1.312 -24.819
  450    HZ3  LYS  54           HZ3      LYS  54   0.565   0.084 -25.188
  451    H    THR  55           H        THR  55  -4.636   2.594 -18.566
  452    HA   THR  55           HA       THR  55  -2.524   4.576 -18.607
  453    HB   THR  55           HB       THR  55  -4.053   5.452 -20.337
  454    HG1  THR  55           HG1      THR  55  -4.129   7.457 -19.520
  455   HG21  THR  55          HG21      THR  55  -6.210   4.523 -19.641
  456   HG22  THR  55          HG22      THR  55  -6.192   5.492 -18.158
  457   HG23  THR  55          HG23      THR  55  -6.310   6.282 -19.745
  458    H    SER  56           H        SER  56  -3.041   6.166 -16.715
  459    HA   SER  56           HA       SER  56  -3.526   4.588 -14.352
  460    HB2  SER  56           HB2      SER  56  -3.202   7.603 -14.624
  461    HB3  SER  56           HB3      SER  56  -2.909   6.617 -13.181
  462    HG   SER  56           HG       SER  56  -0.971   7.140 -14.296
  463    H    THR  57           H        THR  57  -5.591   6.645 -16.359
  464    HA   THR  57           HA       THR  57  -7.430   7.525 -14.451
  465    HB   THR  57           HB       THR  57  -8.163   6.785 -17.293
  466    HG1  THR  57           HG1      THR  57  -7.120   8.636 -17.987
  467   HG21  THR  57          HG21      THR  57  -9.926   7.860 -15.908
  468   HG22  THR  57          HG22      THR  57  -8.827   9.203 -15.538
  469   HG23  THR  57          HG23      THR  57  -9.398   8.939 -17.202
  470    H    ILE  58           H        ILE  58  -9.518   6.752 -13.833
  471    HA   ILE  58           HA       ILE  58 -10.101   3.897 -14.368
  472    HB   ILE  58           HB       ILE  58 -10.035   5.358 -11.711
  473   HG12  ILE  58          HG12      ILE  58  -8.650   2.873 -12.813
  474   HG13  ILE  58          HG13      ILE  58  -7.913   4.433 -12.439
  475   HG21  ILE  58          HG21      ILE  58 -12.139   4.097 -11.756
  476   HG22  ILE  58          HG22      ILE  58 -11.272   2.648 -12.282
  477   HG23  ILE  58          HG23      ILE  58 -11.013   3.334 -10.658
  478   HD11  ILE  58          HD11      ILE  58  -7.301   2.920 -10.712
  479   HD12  ILE  58          HD12      ILE  58  -8.482   4.049 -10.013
  480   HD13  ILE  58          HD13      ILE  58  -8.968   2.391 -10.465
  481    H    GLU  59           H        GLU  59 -12.141   3.382 -14.671
  482    HA   GLU  59           HA       GLU  59 -14.299   5.434 -14.634
  483    HB2  GLU  59           HB2      GLU  59 -13.889   2.859 -16.231
  484    HB3  GLU  59           HB3      GLU  59 -15.487   3.568 -15.962
  485    HG2  GLU  59           HG2      GLU  59 -14.658   5.728 -16.961
  486    HG3  GLU  59           HG3      GLU  59 -13.151   4.912 -17.369
  487    H    GLU  60           H        GLU  60 -15.059   5.310 -12.585
  488    HA   GLU  60           HA       GLU  60 -15.103   2.788 -11.064
  489    HB2  GLU  60           HB2      GLU  60 -15.987   5.643 -10.419
  490    HB3  GLU  60           HB3      GLU  60 -16.102   4.273  -9.312
  491    HG2  GLU  60           HG2      GLU  60 -13.599   3.950  -9.570
  492    HG3  GLU  60           HG3      GLU  60 -13.558   5.481 -10.456
  493    H    LYS  61           H        LYS  61 -16.579   1.431 -12.095
  494    HA   LYS  61           HA       LYS  61 -19.259   2.507 -12.844
  495    HB2  LYS  61           HB2      LYS  61 -17.977   1.279 -14.541
  496    HB3  LYS  61           HB3      LYS  61 -17.855  -0.122 -13.466
  497    HG2  LYS  61           HG2      LYS  61 -20.249  -0.483 -13.526
  498    HG3  LYS  61           HG3      LYS  61 -20.508   0.993 -14.452
  499    HD2  LYS  61           HD2      LYS  61 -18.744  -1.291 -15.454
  500    HD3  LYS  61           HD3      LYS  61 -20.477  -1.297 -15.711
  501    HE2  LYS  61           HE2      LYS  61 -18.584   0.897 -16.677
  502    HE3  LYS  61           HE3      LYS  61 -19.206  -0.429 -17.666
  503    HZ1  LYS  61           HZ1      LYS  61 -20.881   1.654 -16.401
  504    HZ2  LYS  61           HZ2      LYS  61 -20.521   1.547 -17.997
  505    HZ3  LYS  61           HZ3      LYS  61 -21.456   0.402 -17.276
  506    H    THR  62           H        THR  62 -20.842   2.318 -11.261
  507    HA   THR  62           HA       THR  62 -20.570   0.513  -9.048
  508    HB   THR  62           HB       THR  62 -23.148   1.804 -10.003
  509    HG1  THR  62           HG1      THR  62 -22.439   3.706  -9.390
  510   HG21  THR  62          HG21      THR  62 -23.185   0.332  -7.963
  511   HG22  THR  62          HG22      THR  62 -21.954   1.369  -7.220
  512   HG23  THR  62          HG23      THR  62 -23.569   2.020  -7.588
  513    H    VAL  63           H        VAL  63 -21.218  -1.548  -8.829
  514    HA   VAL  63           HA       VAL  63 -22.920  -2.782 -10.952
  515    HB   VAL  63           HB       VAL  63 -21.339  -4.719 -10.943
  516   HG11  VAL  63          HG11      VAL  63 -20.024  -2.166 -11.959
  517   HG12  VAL  63          HG12      VAL  63 -19.789  -3.815 -12.560
  518   HG13  VAL  63          HG13      VAL  63 -21.354  -3.016 -12.777
  519   HG21  VAL  63          HG21      VAL  63 -20.054  -4.239  -8.867
  520   HG22  VAL  63          HG22      VAL  63 -19.006  -4.439 -10.276
  521   HG23  VAL  63          HG23      VAL  63 -19.335  -2.815  -9.652
  522    H    GLU  64           H        GLU  64 -24.092  -4.589 -10.366
  523    HA   GLU  64           HA       GLU  64 -24.225  -5.213  -7.441
  524    HB2  GLU  64           HB2      GLU  64 -26.372  -4.555  -8.520
  525    HB3  GLU  64           HB3      GLU  64 -26.203  -5.894  -9.660
  526    HG2  GLU  64           HG2      GLU  64 -26.260  -7.503  -7.774
  527    HG3  GLU  64           HG3      GLU  64 -26.313  -6.165  -6.625
  528    H    VAL  65           H        VAL  65 -23.115  -7.060  -6.932
  529    HA   VAL  65           HA       VAL  65 -21.884  -8.588  -9.139
  530    HB   VAL  65           HB       VAL  65 -21.232  -8.726  -6.168
  531   HG11  VAL  65          HG11      VAL  65 -20.416 -10.585  -7.585
  532   HG12  VAL  65          HG12      VAL  65 -19.720  -9.411  -8.728
  533   HG13  VAL  65          HG13      VAL  65 -19.054  -9.567  -7.093
  534   HG21  VAL  65          HG21      VAL  65 -19.300  -7.221  -6.653
  535   HG22  VAL  65          HG22      VAL  65 -19.970  -6.893  -8.263
  536   HG23  VAL  65          HG23      VAL  65 -20.840  -6.384  -6.803
  537    H    LEU  66           H        LEU  66 -23.007 -10.300  -9.772
  538    HA   LEU  66           HA       LEU  66 -25.353 -11.106  -8.247
  539    HB2  LEU  66           HB2      LEU  66 -24.240 -12.240 -10.840
  540    HB3  LEU  66           HB3      LEU  66 -25.861 -12.478 -10.197
  541    HG   LEU  66           HG       LEU  66 -24.677  -9.867 -11.242
  542   HD11  LEU  66          HD11      LEU  66 -26.947 -11.612 -12.279
  543   HD12  LEU  66          HD12      LEU  66 -26.364 -10.096 -12.998
  544   HD13  LEU  66          HD13      LEU  66 -25.310 -11.519 -12.959
  545   HD21  LEU  66          HD21      LEU  66 -26.956  -8.911 -10.927
  546   HD22  LEU  66          HD22      LEU  66 -27.438 -10.378 -10.046
  547   HD23  LEU  66          HD23      LEU  66 -26.177  -9.302  -9.398
  548    H    GLY  67           H        GLY  67 -22.130 -12.467  -8.856
  549    HA2  GLY  67           HA2      GLY  67 -21.911 -14.272  -6.829
  550    HA3  GLY  67           HA3      GLY  67 -22.768 -15.165  -8.110
  551    H    MET  68           H        MET  68 -20.385 -16.182  -7.700
  552    HA   MET  68           HA       MET  68 -18.234 -14.955  -9.212
  553    HB2  MET  68           HB2      MET  68 -18.618 -17.846  -8.365
  554    HB3  MET  68           HB3      MET  68 -17.209 -17.182  -9.196
  555    HG2  MET  68           HG2      MET  68 -17.336 -15.390  -7.184
  556    HG3  MET  68           HG3      MET  68 -18.119 -16.748  -6.383
  557    HE1  MET  68           HE1      MET  68 -13.738 -16.526  -7.870
  558    HE2  MET  68           HE2      MET  68 -15.086 -16.545  -9.016
  559    HE3  MET  68           HE3      MET  68 -14.909 -15.190  -7.879
  560    H    ALA  69           H        ALA  69 -17.438 -15.565 -11.221
  561    HA   ALA  69           HA       ALA  69 -19.363 -16.100 -13.329
  562    HB1  ALA  69           HB1      ALA  69 -16.319 -16.127 -13.346
  563    HB2  ALA  69           HB2      ALA  69 -17.367 -15.931 -14.756
  564    HB3  ALA  69           HB3      ALA  69 -17.306 -14.653 -13.542
  565    HA   PRO  70           HA       PRO  70 -19.000 -20.571 -13.700
  566    HB2  PRO  70           HB2      PRO  70 -17.607 -20.082 -16.346
  567    HB3  PRO  70           HB3      PRO  70 -18.875 -21.288 -15.950
  568    HG2  PRO  70           HG2      PRO  70 -19.556 -18.999 -17.216
  569    HG3  PRO  70           HG3      PRO  70 -20.561 -19.581 -15.847
  570    HD2  PRO  70           HD2      PRO  70 -18.429 -17.444 -15.847
  571    HD3  PRO  70           HD3      PRO  70 -20.043 -17.417 -15.070
  572    H    ASP  71           H        ASP  71 -17.503 -22.160 -13.192
  573    HA   ASP  71           HA       ASP  71 -14.987 -21.435 -12.171
  574    HB2  ASP  71           HB2      ASP  71 -14.629 -23.696 -11.723
  575    HB3  ASP  71           HB3      ASP  71 -16.366 -23.489 -11.588
  576    H    ASP  72           H        ASP  72 -15.938 -22.403 -15.429
  577    HA   ASP  72           HA       ASP  72 -13.447 -23.091 -16.539
  578    HB2  ASP  72           HB2      ASP  72 -15.573 -23.421 -17.693
  579    HB3  ASP  72           HB3      ASP  72 -15.830 -21.676 -17.786
  580    H    GLU  73           H        GLU  73 -14.797 -19.843 -15.834
  581    HA   GLU  73           HA       GLU  73 -12.556 -18.510 -17.217
  582    HB2  GLU  73           HB2      GLU  73 -14.924 -17.531 -15.577
  583    HB3  GLU  73           HB3      GLU  73 -13.590 -16.459 -15.974
  584    HG2  GLU  73           HG2      GLU  73 -15.256 -17.957 -18.032
  585    HG3  GLU  73           HG3      GLU  73 -15.517 -16.288 -17.531
  586    H    CYS  74           H        CYS  74 -13.560 -19.462 -13.956
  587    HA   CYS  74           HA       CYS  74 -11.601 -17.850 -12.638
  588    HB2  CYS  74           HB2      CYS  74 -13.328 -20.092 -11.540
  589    HB3  CYS  74           HB3      CYS  74 -12.425 -18.899 -10.594
  590    HG   CYS  74           HG       CYS  74 -14.959 -18.488 -12.694
  591    H    LEU  75           H        LEU  75 -10.653 -20.090 -14.536
  592    HA   LEU  75           HA       LEU  75  -9.163 -21.959 -12.885
  593    HB2  LEU  75           HB2      LEU  75  -9.809 -21.591 -15.744
  594    HB3  LEU  75           HB3      LEU  75  -8.104 -21.877 -15.549
  595    HG   LEU  75           HG       LEU  75  -9.093 -23.944 -15.987
  596   HD11  LEU  75          HD11      LEU  75  -7.338 -23.889 -14.189
  597   HD12  LEU  75          HD12      LEU  75  -8.629 -24.038 -12.979
  598   HD13  LEU  75          HD13      LEU  75  -8.387 -25.318 -14.175
  599   HD21  LEU  75          HD21      LEU  75 -10.880 -24.978 -14.657
  600   HD22  LEU  75          HD22      LEU  75 -11.012 -23.501 -13.681
  601   HD23  LEU  75          HD23      LEU  75 -11.410 -23.461 -15.405
  602    H    LYS  76           H        LYS  76  -8.666 -18.720 -13.667
  603    HA   LYS  76           HA       LYS  76  -5.698 -18.924 -13.409
  604    HB2  LYS  76           HB2      LYS  76  -5.489 -17.296 -15.256
  605    HB3  LYS  76           HB3      LYS  76  -6.245 -18.804 -15.772
  606    HG2  LYS  76           HG2      LYS  76  -8.507 -17.651 -15.522
  607    HG3  LYS  76           HG3      LYS  76  -7.637 -16.135 -15.260
  608    HD2  LYS  76           HD2      LYS  76  -6.641 -16.277 -17.480
  609    HD3  LYS  76           HD3      LYS  76  -7.368 -17.865 -17.759
  610    HE2  LYS  76           HE2      LYS  76  -8.932 -15.284 -17.260
  611    HE3  LYS  76           HE3      LYS  76  -8.599 -15.961 -18.855
  612    HZ1  LYS  76           HZ1      LYS  76  -9.870 -17.919 -18.241
  613    HZ2  LYS  76           HZ2      LYS  76 -10.199 -17.311 -16.747
  614    HZ3  LYS  76           HZ3      LYS  76 -10.809 -16.592 -18.079
  615    H    ASP  77           H        ASP  77  -8.641 -16.977 -12.936
  616    HA   ASP  77           HA       ASP  77  -7.358 -15.271 -10.940
  617    HB2  ASP  77           HB2      ASP  77  -6.734 -14.145 -13.060
  618    HB3  ASP  77           HB3      ASP  77  -8.410 -14.200 -13.599
  619    H    MET  78           H        MET  78  -9.201 -13.987  -9.888
  620    HA   MET  78           HA       MET  78 -11.594 -15.758  -9.891
  621    HB2  MET  78           HB2      MET  78 -10.789 -13.485  -8.047
  622    HB3  MET  78           HB3      MET  78 -12.255 -14.448  -7.882
  623    HG2  MET  78           HG2      MET  78  -9.412 -15.525  -7.717
  624    HG3  MET  78           HG3      MET  78 -10.476 -15.188  -6.365
  625    HE1  MET  78           HE1      MET  78 -10.211 -19.039  -8.770
  626    HE2  MET  78           HE2      MET  78 -10.085 -17.501  -9.636
  627    HE3  MET  78           HE3      MET  78  -8.936 -17.883  -8.332
  628    H    TYR  79           H        TYR  79 -13.494 -15.226 -10.849
  629    HA   TYR  79           HA       TYR  79 -13.894 -12.438 -11.835
  630    HB2  TYR  79           HB2      TYR  79 -14.357 -15.109 -13.207
  631    HB3  TYR  79           HB3      TYR  79 -15.047 -13.598 -13.774
  632    HD1  TYR  79           HD2      TYR  79 -13.620 -11.806 -14.719
  633    HD2  TYR  79           HD1      TYR  79 -12.049 -15.675 -13.641
  634    HE1  TYR  79           HE2      TYR  79 -11.670 -11.411 -16.179
  635    HE2  TYR  79           HE1      TYR  79 -10.071 -15.276 -15.055
  636    HH   TYR  79           HH       TYR  79  -9.635 -12.265 -16.975
  637    H    VAL  80           H        VAL  80 -16.060 -11.758 -11.974
  638    HA   VAL  80           HA       VAL  80 -18.139 -13.450 -10.671
  639    HB   VAL  80           HB       VAL  80 -18.850 -11.300  -9.546
  640   HG11  VAL  80          HG11      VAL  80 -17.924 -13.082  -8.219
  641   HG12  VAL  80          HG12      VAL  80 -16.261 -12.609  -8.630
  642   HG13  VAL  80          HG13      VAL  80 -17.289 -11.554  -7.634
  643   HG21  VAL  80          HG21      VAL  80 -17.390  -9.711 -10.812
  644   HG22  VAL  80          HG22      VAL  80 -17.186  -9.582  -9.061
  645   HG23  VAL  80          HG23      VAL  80 -15.963 -10.419 -10.029
  646    H    GLU  81           H        GLU  81 -20.267 -12.999 -11.290
  647    HA   GLU  81           HA       GLU  81 -20.583 -11.651 -13.919
  648    HB2  GLU  81           HB2      GLU  81 -22.523 -13.175 -12.119
  649    HB3  GLU  81           HB3      GLU  81 -22.967 -12.370 -13.635
  650    HG2  GLU  81           HG2      GLU  81 -21.269 -13.808 -14.824
  651    HG3  GLU  81           HG3      GLU  81 -21.021 -14.685 -13.312
  652    H    VAL  82           H        VAL  82 -21.669  -9.685 -14.085
  653    HA   VAL  82           HA       VAL  82 -22.459  -8.318 -11.577
  654    HB   VAL  82           HB       VAL  82 -21.162  -6.311 -12.466
  655   HG11  VAL  82          HG11      VAL  82 -20.479  -7.534 -10.466
  656   HG12  VAL  82          HG12      VAL  82 -19.534  -8.673 -11.453
  657   HG13  VAL  82          HG13      VAL  82 -19.080  -6.958 -11.374
  658   HG21  VAL  82          HG21      VAL  82 -20.609  -7.218 -14.738
  659   HG22  VAL  82          HG22      VAL  82 -19.227  -6.607 -13.841
  660   HG23  VAL  82          HG23      VAL  82 -19.490  -8.362 -13.965
  661    H    ALA  83           H        ALA  83 -24.065  -6.904 -11.811
  662    HA   ALA  83           HA       ALA  83 -25.160  -6.487 -14.568
  663    HB1  ALA  83           HB1      ALA  83 -26.545  -6.134 -11.890
  664    HB2  ALA  83           HB2      ALA  83 -27.255  -5.899 -13.509
  665    HB3  ALA  83           HB3      ALA  83 -26.751  -7.518 -12.989
  666    H    ASP  84           H        ASP  84 -25.128  -4.399 -15.360
  667    HA   ASP  84           HA       ASP  84 -23.304  -2.584 -13.968
  668    HB2  ASP  84           HB2      ASP  84 -23.031  -3.089 -16.341
  669    HB3  ASP  84           HB3      ASP  84 -24.645  -2.447 -16.683
  670    H    ILE  85           H        ILE  85 -25.020  -2.407 -12.216
  671    HA   ILE  85           HA       ILE  85 -27.373  -0.869 -12.633
  672    HB   ILE  85           HB       ILE  85 -27.431  -0.553 -10.240
  673   HG12  ILE  85          HG12      ILE  85 -24.675  -1.797 -10.094
  674   HG13  ILE  85          HG13      ILE  85 -25.010  -0.085  -9.850
  675   HG21  ILE  85          HG21      ILE  85 -26.470  -3.381 -10.845
  676   HG22  ILE  85          HG22      ILE  85 -27.669  -2.862  -9.640
  677   HG23  ILE  85          HG23      ILE  85 -28.046  -2.743 -11.355
  678   HD11  ILE  85          HD11      ILE  85 -26.072  -2.346  -8.102
  679   HD12  ILE  85          HD12      ILE  85 -24.769  -1.238  -7.698
  680   HD13  ILE  85          HD13      ILE  85 -26.420  -0.615  -7.892
  681    H    GLY  86           H        GLY  86 -24.174   0.204 -12.943
  682    HA2  GLY  86           HA2      GLY  86 -24.754   3.020 -12.264
  683    HA3  GLY  86           HA3      GLY  86 -23.212   2.309 -12.757
  684    H    GLY  87           H        GLY  87 -24.914   0.930 -15.075
  685    HA2  GLY  87           HA2      GLY  87 -24.947   3.319 -16.897
  686    HA3  GLY  87           HA3      GLY  87 -23.967   1.879 -17.181
  687    H    LYS  88           H        LYS  88 -26.312   0.102 -16.250
  688    HA   LYS  88           HA       LYS  88 -28.149   0.454 -18.585
  689    HB2  LYS  88           HB2      LYS  88 -26.641  -2.092 -17.825
  690    HB3  LYS  88           HB3      LYS  88 -27.962  -2.038 -18.969
  691    HG2  LYS  88           HG2      LYS  88 -25.289  -0.611 -19.301
  692    HG3  LYS  88           HG3      LYS  88 -25.735  -2.140 -20.039
  693    HD2  LYS  88           HD2      LYS  88 -27.091   0.532 -20.606
  694    HD3  LYS  88           HD3      LYS  88 -25.885  -0.264 -21.619
  695    HE2  LYS  88           HE2      LYS  88 -27.414  -2.217 -21.897
  696    HE3  LYS  88           HE3      LYS  88 -28.639  -1.386 -20.929
  697    HZ1  LYS  88           HZ1      LYS  88 -27.567  -0.417 -23.516
  698    HZ2  LYS  88           HZ2      LYS  88 -29.031  -1.090 -23.288
  699    HZ3  LYS  88           HZ3      LYS  88 -28.696   0.357 -22.621
  700    H    ASP  89           H        ASP  89 -27.457  -1.137 -15.500
  701    HA   ASP  89           HA       ASP  89 -28.582  -2.091 -13.890
  702    HB2  ASP  89           HB2      ASP  89 -29.691   0.028 -13.616
  703    HB3  ASP  89           HB3      ASP  89 -30.896  -0.380 -14.835
  704    H    ASP  90           H        ASP  90 -30.161  -2.413 -17.011
  705    HA   ASP  90           HA       ASP  90 -31.618  -4.829 -16.180
  706    HB2  ASP  90           HB2      ASP  90 -32.692  -2.880 -17.325
  707    HB3  ASP  90           HB3      ASP  90 -31.660  -3.179 -18.726
  708    H    ASP  91           H        ASP  91 -28.529  -4.445 -17.150
  709    HA   ASP  91           HA       ASP  91 -28.529  -6.967 -18.703
  710    HB2  ASP  91           HB2      ASP  91 -28.342  -4.932 -20.254
  711    HB3  ASP  91           HB3      ASP  91 -26.754  -4.668 -19.507
  712    H    VAL  92           H        VAL  92 -26.422  -7.940 -18.823
  713    HA   VAL  92           HA       VAL  92 -24.873  -7.626 -16.311
  714    HB   VAL  92           HB       VAL  92 -26.008 -10.184 -17.516
  715   HG11  VAL  92          HG11      VAL  92 -24.595  -9.816 -14.846
  716   HG12  VAL  92          HG12      VAL  92 -25.335 -11.310 -15.452
  717   HG13  VAL  92          HG13      VAL  92 -23.928 -10.647 -16.269
  718   HG21  VAL  92          HG21      VAL  92 -26.918  -8.619 -15.067
  719   HG22  VAL  92          HG22      VAL  92 -27.858  -8.940 -16.539
  720   HG23  VAL  92          HG23      VAL  92 -27.450 -10.268 -15.462
  721    H    TYR  93           H        TYR  93 -22.772  -8.278 -16.361
  722    HA   TYR  93           HA       TYR  93 -21.471  -9.242 -18.847
  723    HB2  TYR  93           HB2      TYR  93 -20.541  -6.895 -17.130
  724    HB3  TYR  93           HB3      TYR  93 -19.719  -7.536 -18.538
  725    HD1  TYR  93           HD1      TYR  93 -20.557  -7.111 -20.827
  726    HD2  TYR  93           HD2      TYR  93 -22.487  -5.416 -17.357
  727    HE1  TYR  93           HE1      TYR  93 -21.713  -5.469 -22.276
  728    HE2  TYR  93           HE2      TYR  93 -23.657  -3.781 -18.795
  729    HH   TYR  93           HH       TYR  93 -23.934  -2.967 -20.971
  730    H    THR  94           H        THR  94 -18.896  -9.345 -17.914
  731    HA   THR  94           HA       THR  94 -18.949 -10.660 -15.249
  732    HB   THR  94           HB       THR  94 -17.329 -11.485 -17.692
  733    HG1  THR  94           HG1      THR  94 -19.480 -12.158 -17.749
  734   HG21  THR  94          HG21      THR  94 -15.971 -11.898 -15.717
  735   HG22  THR  94          HG22      THR  94 -17.345 -12.628 -14.862
  736   HG23  THR  94          HG23      THR  94 -16.630 -13.436 -16.275
  737    H    ALA  95           H        ALA  95 -17.169 -10.152 -13.973
  738    HA   ALA  95           HA       ALA  95 -15.241  -8.119 -14.961
  739    HB1  ALA  95           HB1      ALA  95 -16.875  -7.935 -12.389
  740    HB2  ALA  95           HB2      ALA  95 -15.532  -6.857 -12.831
  741    HB3  ALA  95           HB3      ALA  95 -17.011  -6.864 -13.801
  742    H    LYS  96           H        LYS  96 -13.332  -8.015 -13.701
  743    HA   LYS  96           HA       LYS  96 -12.432 -10.547 -12.506
  744    HB2  LYS  96           HB2      LYS  96 -11.240  -7.752 -12.659
  745    HB3  LYS  96           HB3      LYS  96 -10.380  -9.159 -12.056
  746    HG2  LYS  96           HG2      LYS  96 -10.037 -10.043 -14.163
  747    HG3  LYS  96           HG3      LYS  96 -11.464  -9.300 -14.875
  748    HD2  LYS  96           HD2      LYS  96  -9.127  -7.588 -13.952
  749    HD3  LYS  96           HD3      LYS  96  -9.128  -8.373 -15.539
  750    HE2  LYS  96           HE2      LYS  96 -11.110  -7.245 -16.252
  751    HE3  LYS  96           HE3      LYS  96 -11.454  -6.620 -14.637
  752    HZ1  LYS  96           HZ1      LYS  96  -9.860  -5.004 -14.837
  753    HZ2  LYS  96           HZ2      LYS  96  -8.959  -5.819 -15.969
  754    HZ3  LYS  96           HZ3      LYS  96 -10.361  -5.098 -16.375
  755    H    LEU  97           H        LEU  97 -12.806 -10.977 -10.306
  756    HA   LEU  97           HA       LEU  97 -14.095  -9.041  -8.564
  757    HB2  LEU  97           HB2      LEU  97 -14.251 -11.480  -8.173
  758    HB3  LEU  97           HB3      LEU  97 -12.501 -11.566  -7.947
  759    HG   LEU  97           HG       LEU  97 -12.674 -10.120  -5.927
  760   HD11  LEU  97          HD11      LEU  97 -14.687  -8.800  -6.416
  761   HD12  LEU  97          HD12      LEU  97 -15.685 -10.272  -6.433
  762   HD13  LEU  97          HD13      LEU  97 -14.935  -9.706  -4.930
  763   HD21  LEU  97          HD21      LEU  97 -13.673 -11.819  -4.494
  764   HD22  LEU  97          HD22      LEU  97 -14.519 -12.534  -5.885
  765   HD23  LEU  97          HD23      LEU  97 -12.738 -12.567  -5.784
  766    H    SER  98           H        SER  98 -10.792 -10.126  -9.199
  767    HA   SER  98           HA       SER  98  -9.187  -8.678  -7.557
  768    HB2  SER  98           HB2      SER  98  -8.741  -9.258 -10.509
  769    HB3  SER  98           HB3      SER  98  -7.540  -9.250  -9.213
  770    HG   SER  98           HG       SER  98  -8.398 -11.408  -9.903
  771    H    ASP  99           H        ASP  99 -11.331  -7.240  -9.893
  772    HA   ASP  99           HA       ASP  99  -9.798  -4.695  -9.797
  773    HB2  ASP  99           HB2      ASP  99  -9.864  -6.018 -12.007
  774    HB3  ASP  99           HB3      ASP  99 -11.588  -5.625 -12.060
  775    H    ILE 100           H        ILE 100 -12.157  -6.030  -8.280
  776    HA   ILE 100           HA       ILE 100 -14.032  -3.717  -8.413
  777    HB   ILE 100           HB       ILE 100 -14.434  -6.657  -8.212
  778   HG12  ILE 100          HG12      ILE 100 -16.188  -4.364  -9.173
  779   HG13  ILE 100          HG13      ILE 100 -14.993  -5.207 -10.177
  780   HG21  ILE 100          HG21      ILE 100 -16.387  -4.877  -6.711
  781   HG22  ILE 100          HG22      ILE 100 -16.540  -6.617  -7.023
  782   HG23  ILE 100          HG23      ILE 100 -15.271  -6.048  -5.961
  783   HD11  ILE 100          HD11      ILE 100 -17.567  -6.342  -9.023
  784   HD12  ILE 100          HD12      ILE 100 -17.157  -6.039 -10.712
  785   HD13  ILE 100          HD13      ILE 100 -16.310  -7.326  -9.826
  786    H    GLU 101           H        GLU 101 -14.888  -2.967  -6.547
  787    HA   GLU 101           HA       GLU 101 -13.404  -3.455  -4.002
  788    HB2  GLU 101           HB2      GLU 101 -12.815  -1.273  -4.904
  789    HB3  GLU 101           HB3      GLU 101 -14.517  -0.879  -5.196
  790    HG2  GLU 101           HG2      GLU 101 -14.989  -0.782  -2.826
  791    HG3  GLU 101           HG3      GLU 101 -13.412  -1.470  -2.431
  792    H    ALA 102           H        ALA 102 -14.763  -4.400  -2.581
  793    HA   ALA 102           HA       ALA 102 -17.570  -4.785  -3.307
  794    HB1  ALA 102           HB1      ALA 102 -16.120  -6.564  -2.340
  795    HB2  ALA 102           HB2      ALA 102 -16.041  -5.659  -0.812
  796    HB3  ALA 102           HB3      ALA 102 -17.598  -6.284  -1.402
  797    H    ILE 103           H        ILE 103 -19.310  -3.816  -2.414
  798    HA   ILE 103           HA       ILE 103 -18.943  -1.865  -0.178
  799    HB   ILE 103           HB       ILE 103 -20.391  -1.634  -2.829
  800   HG12  ILE 103          HG12      ILE 103 -18.277   0.150  -1.540
  801   HG13  ILE 103          HG13      ILE 103 -17.930  -1.090  -2.742
  802   HG21  ILE 103          HG21      ILE 103 -21.898  -0.727  -1.077
  803   HG22  ILE 103          HG22      ILE 103 -20.580   0.311  -0.484
  804   HG23  ILE 103          HG23      ILE 103 -21.281   0.551  -2.100
  805   HD11  ILE 103          HD11      ILE 103 -17.965   1.009  -3.851
  806   HD12  ILE 103          HD12      ILE 103 -19.373   0.068  -4.388
  807   HD13  ILE 103          HD13      ILE 103 -19.570   1.410  -3.230
  808    H    ASP 104           H        ASP 104 -20.362  -2.037   1.452
  809    HA   ASP 104           HA       ASP 104 -22.033  -2.688   2.760
  810    HB2  ASP 104           HB2      ASP 104 -23.331  -1.386   1.097
  811    HB3  ASP 104           HB3      ASP 104 -23.720  -2.882   0.248
  812    H    VAL 105           H        VAL 105 -20.266  -4.777   1.603
  813    HA   VAL 105           HA       VAL 105 -21.831  -7.233   1.546
  814    HB   VAL 105           HB       VAL 105 -19.432  -8.221   1.728
  815   HG11  VAL 105          HG11      VAL 105 -20.257  -6.538  -0.649
  816   HG12  VAL 105          HG12      VAL 105 -19.074  -7.875  -0.660
  817   HG13  VAL 105          HG13      VAL 105 -20.759  -8.208  -0.259
  818   HG21  VAL 105          HG21      VAL 105 -17.577  -6.881   1.145
  819   HG22  VAL 105          HG22      VAL 105 -18.563  -5.423   0.914
  820   HG23  VAL 105          HG23      VAL 105 -18.339  -6.107   2.545
  821    H    ASP 106           H        ASP 106 -21.237  -9.041   2.966
  822    HA   ASP 106           HA       ASP 106 -21.457  -8.404   5.819
  823    HB2  ASP 106           HB2      ASP 106 -22.511 -10.434   4.865
  824    HB3  ASP 106           HB3      ASP 106 -20.918 -11.011   4.349
  825    H    ASP 107           H        ASP 107 -19.784  -9.108   7.347
  826    HA   ASP 107           HA       ASP 107 -17.178  -8.107   6.761
  827    HB2  ASP 107           HB2      ASP 107 -18.100  -8.191   9.024
  828    HB3  ASP 107           HB3      ASP 107 -18.156  -9.956   8.967
  829    H    ASP 108           H        ASP 108 -18.399 -11.536   6.770
  830    HA   ASP 108           HA       ASP 108 -15.691 -12.529   6.436
  831    HB2  ASP 108           HB2      ASP 108 -17.736 -13.752   7.451
  832    HB3  ASP 108           HB3      ASP 108 -18.218 -14.067   5.775
  833    H    THR 109           H        THR 109 -18.223 -11.423   4.307
  834    HA   THR 109           HA       THR 109 -17.170 -12.575   1.833
  835    HB   THR 109           HB       THR 109 -19.157 -10.358   2.478
  836    HG1  THR 109           HG1      THR 109 -19.623 -12.630   2.947
  837   HG21  THR 109          HG21      THR 109 -18.224  -9.999   0.187
  838   HG22  THR 109          HG22      THR 109 -18.700 -11.658  -0.222
  839   HG23  THR 109          HG23      THR 109 -19.936 -10.468   0.186
  840    H    GLN 110           H        GLN 110 -17.082  -9.326   3.485
  841    HA   GLN 110           HA       GLN 110 -15.407  -8.086   1.611
  842    HB2  GLN 110           HB2      GLN 110 -16.730  -7.204   3.759
  843    HB3  GLN 110           HB3      GLN 110 -15.192  -7.436   4.568
  844    HG2  GLN 110           HG2      GLN 110 -15.712  -5.699   2.106
  845    HG3  GLN 110           HG3      GLN 110 -15.534  -5.118   3.751
  846   HE21  GLN 110          HE22      GLN 110 -13.857  -5.665   0.839
  847   HE22  GLN 110          HE21      GLN 110 -12.236  -5.582   1.472
  848    H    GLU 111           H        GLU 111 -14.533  -9.910   4.607
  849    HA   GLU 111           HA       GLU 111 -11.745  -9.520   4.381
  850    HB2  GLU 111           HB2      GLU 111 -13.442 -11.669   5.702
  851    HB3  GLU 111           HB3      GLU 111 -11.687 -11.641   5.847
  852    HG2  GLU 111           HG2      GLU 111 -13.438  -9.267   6.652
  853    HG3  GLU 111           HG3      GLU 111 -12.987 -10.565   7.749
  854    H    ALA 112           H        ALA 112 -13.839 -12.027   2.860
  855    HA   ALA 112           HA       ALA 112 -11.642 -13.661   1.960
  856    HB1  ALA 112           HB1      ALA 112 -14.448 -13.367   0.790
  857    HB2  ALA 112           HB2      ALA 112 -13.295 -14.678   0.461
  858    HB3  ALA 112           HB3      ALA 112 -13.968 -14.487   2.087
  859    H    ILE 113           H        ILE 113 -13.530 -11.004   0.453
  860    HA   ILE 113           HA       ILE 113 -12.164 -11.040  -2.063
  861    HB   ILE 113           HB       ILE 113 -13.698  -8.832  -0.620
  862   HG12  ILE 113          HG12      ILE 113 -14.633 -10.700  -2.845
  863   HG13  ILE 113          HG13      ILE 113 -14.950 -11.002  -1.156
  864   HG21  ILE 113          HG21      ILE 113 -12.279  -7.839  -2.360
  865   HG22  ILE 113          HG22      ILE 113 -12.857  -9.019  -3.551
  866   HG23  ILE 113          HG23      ILE 113 -13.952  -7.791  -2.880
  867   HD11  ILE 113          HD11      ILE 113 -16.014  -8.708  -2.807
  868   HD12  ILE 113          HD12      ILE 113 -16.907 -10.012  -2.016
  869   HD13  ILE 113          HD13      ILE 113 -16.123  -8.766  -1.025
  870    H    ALA 114           H        ALA 114 -11.680  -9.086   0.937
  871    HA   ALA 114           HA       ALA 114  -9.554  -7.502   0.000
  872    HB1  ALA 114           HB1      ALA 114  -9.054  -7.137   2.384
  873    HB2  ALA 114           HB2      ALA 114 -10.799  -7.052   2.090
  874    HB3  ALA 114           HB3      ALA 114 -10.092  -8.504   2.832
  875    H    ASP 115           H        ASP 115  -9.471 -10.718   1.662
  876    HA   ASP 115           HA       ASP 115  -6.611 -10.732   1.787
  877    HB2  ASP 115           HB2      ASP 115  -8.074 -12.087   3.270
  878    HB3  ASP 115           HB3      ASP 115  -8.467 -13.130   1.892
  879    H    TRP 116           H        TRP 116  -8.903 -11.912  -0.704
  880    HA   TRP 116           HA       TRP 116  -6.911 -13.220  -2.327
  881    HB2  TRP 116           HB2      TRP 116  -9.219 -13.678  -2.763
  882    HB3  TRP 116           HB3      TRP 116  -9.609 -11.970  -2.928
  883    HD1  TRP 116           HD1      TRP 116  -9.767 -11.103  -5.292
  884    HE1  TRP 116           HE1      TRP 116  -8.873 -11.738  -7.604
  885    HE3  TRP 116           HE3      TRP 116  -6.866 -15.112  -3.978
  886    HZ2  TRP 116           HZ2      TRP 116  -7.206 -13.806  -8.752
  887    HZ3  TRP 116           HZ3      TRP 116  -5.673 -16.420  -5.698
  888    HH2  TRP 116           HH2      TRP 116  -5.838 -15.777  -8.097
  889    H    LEU 117           H        LEU 117  -8.195  -9.841  -2.241
  890    HA   LEU 117           HA       LEU 117  -6.647  -8.876  -4.424
  891    HB2  LEU 117           HB2      LEU 117  -7.793  -7.499  -1.966
  892    HB3  LEU 117           HB3      LEU 117  -6.972  -6.617  -3.240
  893    HG   LEU 117           HG       LEU 117  -9.360  -8.405  -3.855
  894   HD11  LEU 117          HD11      LEU 117  -9.378  -5.453  -3.092
  895   HD12  LEU 117          HD12      LEU 117 -10.762  -6.373  -3.729
  896   HD13  LEU 117          HD13      LEU 117 -10.070  -6.797  -2.154
  897   HD21  LEU 117          HD21      LEU 117  -7.982  -7.705  -5.786
  898   HD22  LEU 117          HD22      LEU 117  -9.582  -6.947  -5.817
  899   HD23  LEU 117          HD23      LEU 117  -8.165  -6.006  -5.307
  900    H    TYR 118           H        TYR 118  -5.944  -8.970  -0.874
  901    HA   TYR 118           HA       TYR 118  -3.372  -7.766  -1.008
  902    HB2  TYR 118           HB2      TYR 118  -4.412  -9.886   0.913
  903    HB3  TYR 118           HB3      TYR 118  -2.972  -8.925   1.153
  904    HD1  TYR 118           HD1      TYR 118  -4.485  -6.230   0.084
  905    HD2  TYR 118           HD2      TYR 118  -5.253  -9.240   3.090
  906    HE1  TYR 118           HE1      TYR 118  -5.824  -4.608   1.364
  907    HE2  TYR 118           HE2      TYR 118  -6.597  -7.617   4.376
  908    HH   TYR 118           HH       TYR 118  -7.418  -5.435   4.480
  909    H    TRP 119           H        TRP 119  -4.316 -11.253  -1.131
  910    HA   TRP 119           HA       TRP 119  -1.760 -12.365  -1.376
  911    HB2  TRP 119           HB2      TRP 119  -3.555 -13.837  -1.011
  912    HB3  TRP 119           HB3      TRP 119  -4.518 -13.163  -2.314
  913    HD1  TRP 119           HD1      TRP 119  -4.125 -13.956  -4.755
  914    HE1  TRP 119           HE1      TRP 119  -2.925 -15.924  -5.810
  915    HE3  TRP 119           HE3      TRP 119  -1.545 -15.562  -0.640
  916    HZ2  TRP 119           HZ2      TRP 119  -1.073 -18.020  -4.947
  917    HZ3  TRP 119           HZ3      TRP 119  -0.107 -17.590  -0.776
  918    HH2  TRP 119           HH2      TRP 119   0.142 -18.802  -2.919
  919    H    LEU 120           H        LEU 120  -3.903 -11.062  -3.971
  920    HA   LEU 120           HA       LEU 120  -2.138 -11.763  -6.118
  921    HB2  LEU 120           HB2      LEU 120  -4.296  -9.627  -5.769
  922    HB3  LEU 120           HB3      LEU 120  -3.334  -9.736  -7.234
  923    HG   LEU 120           HG       LEU 120  -5.191 -11.912  -6.181
  924   HD11  LEU 120          HD11      LEU 120  -5.273  -9.973  -8.540
  925   HD12  LEU 120          HD12      LEU 120  -6.430 -11.291  -8.261
  926   HD13  LEU 120          HD13      LEU 120  -6.323  -9.949  -7.105
  927   HD21  LEU 120          HD21      LEU 120  -3.394 -13.042  -7.297
  928   HD22  LEU 120          HD22      LEU 120  -4.690 -12.916  -8.481
  929   HD23  LEU 120          HD23      LEU 120  -3.308 -11.800  -8.573
  930    H    ALA 121           H        ALA 121  -2.523  -8.817  -4.119
  931    HA   ALA 121           HA       ALA 121  -0.735  -7.257  -5.588
  932    HB1  ALA 121           HB1      ALA 121  -2.397  -6.379  -3.975
  933    HB2  ALA 121           HB2      ALA 121  -1.482  -7.083  -2.628
  934    HB3  ALA 121           HB3      ALA 121  -0.769  -5.772  -3.592
  935    H    ARG 122           H        ARG 122  -0.115  -9.672  -3.048
  936    HA   ARG 122           HA       ARG 122   2.601  -9.054  -2.445
  937    HB2  ARG 122           HB2      ARG 122   1.374 -11.822  -2.647
  938    HB3  ARG 122           HB3      ARG 122   2.881 -11.372  -1.864
  939    HG2  ARG 122           HG2      ARG 122   1.327  -9.717  -0.466
  940    HG3  ARG 122           HG3      ARG 122   0.058 -10.861  -0.946
  941    HD2  ARG 122           HD2      ARG 122   2.662 -11.541   0.406
  942    HD3  ARG 122           HD3      ARG 122   1.079 -11.473   1.219
  943    HE   ARG 122           HE       ARG 122   0.714 -13.249  -0.880
  944   HH11  ARG 122          HH11      ARG 122   2.922 -13.132   1.935
  945   HH12  ARG 122          HH12      ARG 122   2.964 -14.891   2.052
  946   HH21  ARG 122          HH21      ARG 122   1.056 -15.563  -0.773
  947   HH22  ARG 122          HH22      ARG 122   2.175 -16.184   0.420
  948    H    GLY 123           H        GLY 123   1.216 -10.343  -5.420
  949    HA2  GLY 123           HA2      GLY 123   2.912 -10.310  -7.258
  950    HA3  GLY 123           HA3      GLY 123   3.864 -11.429  -6.274
  951    H    TYR 124           H        TYR 124   0.784 -12.433  -5.618
  952    HA   TYR 124           HA       TYR 124  -0.331 -14.305  -6.095
  953    HB2  TYR 124           HB2      TYR 124  -1.026 -12.858  -7.997
  954    HB3  TYR 124           HB3      TYR 124   0.160 -13.640  -9.012
  955    HD1  TYR 124           HD2      TYR 124  -1.094 -16.349  -7.078
  956    HD2  TYR 124           HD1      TYR 124  -2.260 -13.575 -10.180
  957    HE1  TYR 124           HE2      TYR 124  -2.846 -17.912  -7.820
  958    HE2  TYR 124           HE1      TYR 124  -4.040 -15.127 -10.901
  959    HH   TYR 124           HH       TYR 124  -4.936 -17.218 -10.661
  960    H    LYS 125           H        LYS 125   1.157 -15.701  -5.074
  961    HA   LYS 125           HA       LYS 125   3.671 -16.395  -6.109
  962    HB2  LYS 125           HB2      LYS 125   1.945 -18.033  -4.203
  963    HB3  LYS 125           HB3      LYS 125   3.669 -18.215  -4.439
  964    HG2  LYS 125           HG2      LYS 125   2.294 -15.783  -3.217
  965    HG3  LYS 125           HG3      LYS 125   3.160 -17.062  -2.365
  966    HD2  LYS 125           HD2      LYS 125   5.238 -16.405  -3.749
  967    HD3  LYS 125           HD3      LYS 125   4.315 -14.994  -4.274
  968    HE2  LYS 125           HE2      LYS 125   5.653 -14.270  -2.455
  969    HE3  LYS 125           HE3      LYS 125   3.999 -14.363  -1.843
  970    HZ1  LYS 125           HZ1      LYS 125   5.666 -15.323  -0.328
  971    HZ2  LYS 125           HZ2      LYS 125   4.575 -16.463  -0.750
  972    HZ3  LYS 125           HZ3      LYS 125   6.074 -16.451  -1.428
  973    H    PHE 126           H        PHE 126   0.615 -18.293  -6.312
  974    HA   PHE 126           HA       PHE 126   1.880 -20.589  -7.420
  975    HB2  PHE 126           HB2      PHE 126  -1.046 -19.799  -7.607
  976    HB3  PHE 126           HB3      PHE 126  -0.376 -21.402  -7.858
  977    HD1  PHE 126           HD2      PHE 126   1.596 -21.322  -5.391
  978    HD2  PHE 126           HD1      PHE 126  -2.601 -20.400  -5.860
  979    HE1  PHE 126           HE2      PHE 126   1.231 -21.753  -2.992
  980    HE2  PHE 126           HE1      PHE 126  -2.963 -20.903  -3.462
  981    HZ   PHE 126           HZ       PHE 126  -1.050 -21.556  -2.015