*HEADER    TOXIN                                   20-OCT-08   2K9O              
*TITLE     SOLUTION STRUCTURE OF VM24 SYNTHETIC SCORPION TOXIN                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VM24 SCORPION TOXIN;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    ALFA/BETA SCAFFOLD, BETA SHEET, ALFA HELIX, SCORPION K+               
*KEYWDS   2 TOXIN, VM24                                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.DEL RIO-PORTILLA, R.HERNANDEZ-LOPEZ, L.POSSANI-POSTAY,              
*AUTHOR   2 G.GURROLA                                                            
*REVDAT   1   03-NOV-09 2K9O    0                                                


#
#  34 TYR  HN     34 TYR  HB2     3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 473, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  34 TYR  HN     34 TYR  HB3     3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   3 ALA  HA      4 ILE  HN      3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  34, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  35 TYR  HN     35 TYR  QB      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 494, 495,
 &end
#
#  35 TYR  HA     35 TYR  HD      3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 498, 507,
 &end
#
#  35 TYR  HA     35 TYR  HE      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 500, 505,
 &end
#
#  36 CYX  HN     36 CYX  HB3     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  34 TYR  HB2    35 TYR  HN      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 490, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  34 TYR  HB3    35 TYR  HN      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 490, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  23 ASN  HB3    34 TYR  HD      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 477, 486,
 &end
#
#  33 CYX  HN     33 CYX  HB2     3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  33 CYX  HB3    34 TYR  HN      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  32 LYS  HN     32 LYS  HB2     3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  32 LYS  HN     32 LYS  HB3     3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  32 LYS  HN     32 LYS  QG      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 444, 445,
 &end
#
#  31 CYX  HN     31 CYX  HB2     3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  31 CYX  HN     31 CYX  HB3     3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  31 CYX  HA     32 LYS  HN      3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 437, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  31 CYX  HB3    32 LYS  HN      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 437, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  31 CYX  HB2    32 LYS  HN      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 437, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  30 LYS  HN     30 LYS  QB      3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 409, 410,
 &end
#
#  30 LYS  HN     30 LYS  HG2     4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 412, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  30 LYS  HN     30 LYS  HG3     4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 413, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  30 LYS  HN     30 LYS  QD      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 415, 416,
 &end
#
#  30 LYS  HN     31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30 LYS  QB     31 CYX  HN      3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 409, 410,
 &end
#
#  29 ARG  HN     29 ARG  HB2     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  29 ARG  HN     29 ARG  HB3     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  29 ARG  HN     29 ARG  HG3     4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  29 ARG  HN     29 ARG  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ASN  HN     29 ARG  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 381, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  27 MET  HN     27 MET  QG      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 357, 358,
 &end
#
#  27 MET  HB2    28 ASN  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 MET  HB3    28 ASN  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 ILE  HN      4 ILE  HB      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  38, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   4 ILE  HN      4 ILE  HG12    4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  44, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   4 ILE  HN      4 ILE  QG2     4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=  40,  41,  42,
 &end
#
#   5 SER  HN      5 SER  QB      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=  57,  58,
 &end
#
#   4 ILE  HA      5 SER  HN      2.81
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  53, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#   4 ILE  QG2     5 SER  HN      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  40,  41,  42,
 &end
#
#   4 ILE  HG13   31 CYX  HN      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 427, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  34 TYR  HN     35 TYR  HN      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 490, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   3 ALA  QB      4 ILE  HN      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=  28,  29,  30,
 &end
#
#  32 LYS  HA     33 CYX  HN      2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  26 CYX  HN     31 CYX  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 MET  HN     31 CYX  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 LYS  HN     25 LYS  HB2     3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  25 LYS  HN     25 LYS  HB3     3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  25 LYS  HN     25 LYS  QG      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 325, 326,
 &end
#
#  25 LYS  HN     25 LYS  QD      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 328, 329,
 &end
#
#  23 ASN  HN     23 ASN  HB2     4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  23 ASN  HN     23 ASN  HB3     4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  22 LYS  HN     22 LYS  HB2     4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 279, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  22 LYS  HB2    23 ASN  HN      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 297, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  22 LYS  HN     22 LYS  HB3     4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 280, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  22 LYS  HB3    23 ASN  HN      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 297, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  22 LYS  HN     22 LYS  QG      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 282, 283,
 &end
#
#  22 LYS  QG     23 ASN  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 282, 283,
 &end
#
#  23 ASN  HB3    24 GLY  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 311, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  23 ASN  HB2    24 GLY  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 311, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   5 SER  HN      6 CYX  HN      5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  64, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   5 SER  QB      6 CYX  HN      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=  57,  58,
 &end
#
#   7 VAL  HN      7 VAL  HB      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  78, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   7 VAL  HN      7 VAL  QQG     3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  77, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   7 VAL  HN      8 GLY  HN      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  90, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  21 CYX  HB2    22 LYS  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 275, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   4 ILE  QG2    31 CYX  HN      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  40,  41,  42,
 &end
#
#   3 ALA  HA     31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  26, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 GLY  HA2    33 CYX  HA      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 461, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  34 TYR  HB2    35 TYR  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 505,
 &end
#
#  22 LYS  HB2    35 TYR  HD      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 498, 507,
 &end
#
#  22 LYS  HB3    35 TYR  HD      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 498, 507,
 &end
#
#  32 LYS  QG     34 TYR  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 444, 445,
 igr2= 479, 484,
 &end
#
#  25 LYS  QD     34 TYR  HE      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 328, 329,
 igr2= 479, 484,
 &end
#
#  25 LYS  QG     34 TYR  HE      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 325, 326,
 igr2= 479, 484,
 &end
#
#  32 LYS  HN     32 LYS  QD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 447, 448,
 &end
#
#  25 LYS  HB3    34 TYR  HE      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 479, 484,
 &end
#
#  25 LYS  HB2    34 TYR  HE      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 479, 484,
 &end
#
#   2 ALA  HN      2 ALA  QB      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=  18,  19,  20,
 &end
#
#  30 LYS  HN     30 LYS  QE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 418, 419,
 &end
#
#   4 ILE  HG13   30 LYS  HA      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 407, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  30 LYS  HA     30 LYS  QD      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 415, 416,
 &end
#
#  29 ARG  HA     29 ARG  QD      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 391, 392,
 &end
#
#  31 CYX  HN     32 LYS  HN      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 437, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  12 CYX  HN     12 CYX  HB3     3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 142, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  12 CYX  HB2    13 PRO  HD2     4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 148, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  12 CYX  HB3    13 PRO  HD2     4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 148, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  12 CYX  HB2    13 PRO  HD3     4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 149, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  12 CYX  HB3    13 PRO  HD3     4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 149, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  12 CYX  HN     13 PRO  HD3     3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 149, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  12 CYX  HN     14 PRO  HD2     5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 162, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  19 GLN  HN     19 GLN  HG3     3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 249, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  19 GLN  HN     19 GLN  HG2     3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 248, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  19 GLN  HN     19 GLN  QB      3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 245, 246,
 &end
#
#  19 GLN  HG3    20 GLY  HN      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 258, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  19 GLN  QB     20 GLY  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 245, 246,
 &end
#
#  18 ALA  HN     18 ALA  QB      3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 235, 236, 237,
 &end
#
#  18 ALA  QB     19 GLN  HN      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 235, 236, 237,
 &end
#
#  18 ALA  HA     19 GLN  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 241, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  17 ARG  HA     17 ARG  HE      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 220, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  17 ARG  HA     19 GLN  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 ARG  QB     17 ARG  HE      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 211, 212,
 &end
#
#  17 ARG  QG     19 GLN  HN      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 214, 215,
 &end
#
#  17 ARG  QB     18 ALA  HN      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 211, 212,
 &end
#
#  17 ARG  QG     18 ALA  HN      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 214, 215,
 &end
#
#  17 ARG  HD3    18 ALA  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 ARG  HD2    18 ALA  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ARG  HN     29 ARG  HG2     4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  29 ARG  HB2    29 ARG  HE      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 394, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  29 ARG  HB3    29 ARG  HE      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 394, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  13 PRO  QG     14 PRO  HD3     3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 151, 152,
 &end
#
#  13 PRO  QG     14 PRO  HD2     3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 151, 152,
 &end
#
#  22 LYS  HZ1    36 CYX  HA      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 513, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  22 LYS  HZ2    36 CYX  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 CYX  HA     22 LYS  HZ1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 ARG  HN     18 ALA  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 231, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  17 ARG  HN     17 ARG  QB      3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 211, 212,
 &end
#
#  17 ARG  HN     17 ARG  QG      3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 214, 215,
 &end
#
#  32 LYS  HN     32 LYS  QE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 450, 451,
 &end
#
#  15 LYS  HN     15 LYS  HG3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 LYS  HN     15 LYS  QE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 188, 189,
 &end
#
#  15 LYS  HD3    15 LYS  QZ      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 191, 192, 193,
 &end
#
#  15 LYS  HN     15 LYS  HG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 PRO  HG2    15 LYS  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 LYS  QB     15 LYS  QZ      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 179, 180,
 igr2= 191, 192, 193,
 &end
#
#  36 CYX  HN     36 CYX  HB2     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  33 CYX  HN     33 CYX  HB3     3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  28 ASN  HN     30 LYS  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 CYX  HN     13 PRO  QG      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 151, 152,
 &end
#
#  12 CYX  HN     13 PRO  HD2     3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 148, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   4 ILE  QD1     5 SER  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  47,  48,  49,
 &end
#
#   4 ILE  HG12    5 SER  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  53, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 GLN  HG2    20 GLY  HN      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 258, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  30 LYS  HG2    31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 ILE  HN      6 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 SER  HN      9 SER  QB      3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 101, 102,
 &end
#
#   9 SER  HN     15 LYS  QE      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 188, 189,
 &end
#
#  11 GLU  HN     11 GLU  HG2     4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  11 GLU  HN     11 GLU  HG3     4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 130, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  11 GLU  HN     11 GLU  HB2     3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  11 GLU  HN     11 GLU  HB3     3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   4 ILE  HB     15 LYS  QZ      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 191, 192, 193,
 &end
#
#  27 MET  QG     28 ASN  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 357, 358,
 &end
#
#   3 ALA  QB     31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#  30 LYS  HG3    31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30 LYS  QE     31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 418, 419,
 &end
#
#  23 ASN  HB3    35 TYR  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 505,
 &end
#
#  34 TYR  HB3    35 TYR  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 505,
 &end
#
#  32 LYS  QG     33 CYX  HN      4.85      
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 444, 445,
 &end
#
#  25 LYS  QD     26 CYX  HN      5.03     
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 328, 329,
 &end
#
#  27 MET  HN     30 LYS  QB      4.54    
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 409, 410,
 &end
#
#   4 ILE  HN     30 LYS  QB      4.58   
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 409, 410,
 &end
#
#  14 PRO  HD2    15 LYS  QZ      4.74   
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 191, 192, 193,
 &end
#
#  12 CYX  HN     14 PRO  HD3     5.36  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 163, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  11 GLU  HB2    12 CYX  HN      4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 137, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  11 GLU  HB3    12 CYX  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 137, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  25 LYS  QG     26 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 325, 326,
 &end
#
#  27 MET  HN     29 ARG  HN      5.50   
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 GLU  HN     12 CYX  HN      3.82  
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 137, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  18 ALA  HN     20 GLY  HN      5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 258, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  28 ASN  HN     29 ARG  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 ILE  HB      6 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   6 CYX  HN     29 ARG  HB3     5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 386, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   6 CYX  HN     29 ARG  HB2     5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 385, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   6 CYX  HN     29 ARG  QD      5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#   9 SER  HN     15 LYS  QB      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 179, 180,
 &end
#
#   9 SER  HN     10 PRO  HG2     3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 112, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  17 ARG  QG     20 GLY  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 214, 215,
 &end
#
#  17 ARG  QB     20 GLY  HN      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 211, 212,
 &end
#
#  17 ARG  QB     21 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 211, 212,
 &end
#
#   7 VAL  HB      8 GLY  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  90, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   6 CYX  QB      8 GLY  HN      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=  68,  69,
 &end
#
#  22 LYS  HN     36 CYX  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LYS  QE     34 TYR  HE      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 450, 451,
 igr2= 479, 484,
 &end
#
#  32 LYS  QE     34 TYR  HD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 450, 451,
 igr2= 477, 486,
 &end
#
#  34 TYR  HD     35 TYR  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 477, 486,
 igr2= 494, 495,
 &end
#
#  19 GLN  HN     20 GLY  HA3     5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 261, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  24 GLY  HA3    34 TYR  HD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 486,
 &end
#
#  24 GLY  HA3    34 TYR  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 479, 484,
 &end
#
#  25 LYS  QD     34 TYR  HD      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 328, 329,
 igr2= 477, 486,
 &end
#
#  32 LYS  QG     34 TYR  HD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 444, 445,
 igr2= 477, 486,
 &end
#
#  13 PRO  QB     24 GLY  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 154, 155,
 &end
#
#  22 LYS  QD     35 TYR  HD      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 285, 286,
 igr2= 498, 507,
 &end
#
#  23 ASN  HB2    35 TYR  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 505,
 &end
#
#  25 LYS  QG     34 TYR  HD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,
 igr2= 477, 486,
 &end
#
#  24 GLY  HA2    34 TYR  HD      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 477, 486,
 &end
#
#  24 GLY  HA2    34 TYR  HN      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 469, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  25 LYS  HN     33 CYX  HA      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 461, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  24 GLY  HN     34 TYR  HD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 486,
 &end
#
#  22 LYS  HZ1    35 TYR  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ASN  HA     30 LYS  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 405, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  24 GLY  HA2    34 TYR  QE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 479, 486,
 &end
#
#   4 ILE  QD1     9 SER  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  47,  48,  49,
 &end
#
#  35 TYR  HN     36 CYX  HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 ALA  QB      3 ALA  HN      3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  24, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  18,  19,  20,
 &end
#
#   3 ALA  HN      3 ALA  QB      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=  28,  29,  30,
 &end
#
#   2 ALA  HA      3 ALA  HN      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  24, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   4 ILE  HA      4 ILE  QG2     3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=  40,  41,  42,
 &end
#
#   4 ILE  HA      4 ILE  HG12    3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  44, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  15 LYS  HG2    15 LYS  QE      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 188, 189,
 &end
#
#   4 ILE  HN      4 ILE  HG13    3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  45, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   4 ILE  QG2     4 ILE  QD1     2.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=  40,  41,  42,
 igr2=  47,  48,  49,
 &end
#
#   4 ILE  QD1    15 LYS  QE      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  47,  48,  49,
 igr2= 188, 189,
 &end
#
#   4 ILE  HB      4 ILE  QD1     3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=  47,  48,  49,
 &end
#
#   4 ILE  QG2    15 LYS  QB      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  40,  41,  42,
 igr2= 179, 180,
 &end
#
#   4 ILE  QD1    15 LYS  QB      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=  47,  48,  49,
 igr2= 179, 180,
 &end
#
#   4 ILE  QD1    16 CYX  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  47,  48,  49,
 &end
#
#   4 ILE  HN      4 ILE  QD1     5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=  47,  48,  49,
 &end
#
#   4 ILE  QG2     4 ILE  HG12    3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=  40,  41,  42,
 &end
#
#   7 VAL  HA      7 VAL  QQG     3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  77, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   6 CYX  HN      6 CYX  QB      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  68,  69,
 &end
#
#  10 PRO  HG3    15 LYS  QE      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 188, 189,
 &end
#
#  10 PRO  HD2    15 LYS  QE      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 188, 189,
 &end
#
#   8 GLY  HA2    10 PRO  HD2     5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 109, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  10 PRO  HD3    15 LYS  QE      3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 188, 189,
 &end
#
#  10 PRO  HB2    15 LYS  QE      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 188, 189,
 &end
#
#  12 CYX  HN     12 CYX  HB2     3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 141, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  13 PRO  HD3    14 PRO  HD2     3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 162, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  13 PRO  HD2    14 PRO  HD2     3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 162, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   8 GLY  HA3    10 PRO  HD2     3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 LYS  HG3    15 LYS  QE      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 188, 189,
 &end
#
#  15 LYS  QB     15 LYS  QE      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 179, 180,
 igr2= 188, 189,
 &end
#
#  10 PRO  HG2    15 LYS  QE      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 188, 189,
 &end
#
#  15 LYS  HD2    15 LYS  QZ      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 191, 192, 193,
 &end
#
#  10 PRO  HG2    15 LYS  QB      3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 179, 180,
 &end
#
#  17 ARG  QB     18 ALA  QB      3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 211, 212,
 igr2= 235, 236, 237,
 &end
#
#  17 ARG  HN     17 ARG  HE      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 ARG  HN     19 GLN  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 ALA  HN     19 GLN  HN      3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  17 ARG  HN     18 ALA  QB      5.50  
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 235, 236, 237,
 &end
#
#   4 ILE  HB      5 SER  HN      3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  53, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  17 ARG  QB     17 ARG  HD3     3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 211, 212,
 &end
#
#  17 ARG  QB     17 ARG  HD2     3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 211, 212,
 &end
#
#  35 TYR  HN     36 CYX  HN      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 511, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  17 ARG  QB     17 ARG  QG      2.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr1= 211, 212,
 igr2= 214, 215,
 &end
#
#  29 ARG  HN     29 ARG  QD      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 391, 392,
 &end
#
#  35 TYR  QB     36 CYX  HN      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 494, 495,
 &end
#
#  17 ARG  QG     20 GLY  HA2     3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 214, 215,
 &end
#
#  35 TYR  HN     36 CYX  HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 GLN  HA     19 GLN  HG3     4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 249, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  19 GLN  QB     19 GLN  HG3     2.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 245, 246,
 &end
#
#  19 GLN  QB     19 GLN  HG2     2.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 245, 246,
 &end
#
#  10 PRO  HB3    11 GLU  HN      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 122, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  19 GLN  HA     19 GLN  HG2     4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 248, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   8 GLY  HA3     9 SER  HA      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  99, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  22 LYS  HN     22 LYS  QD      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 285, 286,
 &end
#
#  22 LYS  QG     22 LYS  QD      2.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 282, 283,
 igr2= 285, 286,
 &end
#
#  25 LYS  HN     31 CYX  HA      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 429, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  30 LYS  QB     30 LYS  HG3     2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 409, 410,
 &end
#
#  25 LYS  QG     25 LYS  QD      2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr1= 325, 326,
 igr2= 328, 329,
 &end
#
#  27 MET  QG     30 LYS  QB      5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 357, 358,
 igr2= 409, 410,
 &end
#
#   6 CYX  QB      7 VAL  HA      5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=  68,  69,
 &end
#
#  15 LYS  HA     15 LYS  QE      5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 188, 189,
 &end
#
#  29 ARG  HB2    29 ARG  QD      3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 391, 392,
 &end
#
#  32 LYS  QE     33 CYX  HN      4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 450, 451,
 &end
#
#  29 ARG  HB3    29 ARG  QD      3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 391, 392,
 &end
#
#  30 LYS  HG3    30 LYS  QD      2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 415, 416,
 &end
#
#  30 LYS  HG2    30 LYS  QD      2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 415, 416,
 &end
#
#  30 LYS  QB     30 LYS  HG2     2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 409, 410,
 &end
#
#   4 ILE  HN     31 CYX  HN      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  34, 427, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  32 LYS  HA     32 LYS  QD      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 447, 448,
 &end
#
#  33 CYX  HA     34 TYR  HN      3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#   6 CYX  QB     30 LYS  QB      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=  68,  69,
 igr2= 409, 410,
 &end
#
#  10 PRO  HG3    15 LYS  HA      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 177, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  22 LYS  HB2    35 TYR  QB      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 494, 495,
 &end
#
#  22 LYS  HB3    35 TYR  QB      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 494, 495,
 &end
#
#  22 LYS  QD     35 TYR  QB      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 285, 286,
 igr2= 494, 495,
 &end
#
#  22 LYS  QD     36 CYX  HB3     4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 285, 286,
 &end
#
#   9 SER  QB     15 LYS  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 101, 102,
 igr2= 179, 180,
 &end
#
#  12 CYX  HB2    24 GLY  HA3     4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 314, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  12 CYX  HB3    24 GLY  HA3     4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 314, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  13 PRO  QG     24 GLY  HA3     4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 151, 152,
 &end
#
#  10 PRO  HB3    15 LYS  QE      5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 188, 189,
 &end
#
#   4 ILE  QD1    15 LYS  HD2     4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  47,  48,  49,
 &end
#
#   4 ILE  QD1    15 LYS  HD3     4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  47,  48,  49,
 &end
#
#   4 ILE  QG2    15 LYS  HD3     4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  40,  41,  42,
 &end
#
#   4 ILE  QG2    15 LYS  HD2     4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  40,  41,  42,
 &end
#
#   4 ILE  HG12   15 LYS  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   3 ALA  QB      4 ILE  QG2     4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=  28,  29,  30,
 igr2=  40,  41,  42,
 &end
#
#   2 ALA  QB      4 ILE  QD1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  18,  19,  20,
 igr2=  47,  48,  49,
 &end
#
#   3 ALA  QB      4 ILE  QD1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  28,  29,  30,
 igr2=  47,  48,  49,
 &end
#
#   4 ILE  QD1    31 CYX  HB2     4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=  47,  48,  49,
 &end
#
#   4 ILE  QD1    31 CYX  HB3     4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=  47,  48,  49,
 &end
#
#   4 ILE  QG2    31 CYX  HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  40,  41,  42,
 &end
#
#   4 ILE  QG2    31 CYX  HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  40,  41,  42,
 &end
#
#   4 ILE  QG2     5 SER  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  40,  41,  42,
 igr2=  57,  58,
 &end
#
#   7 VAL  QQG     8 GLY  HA3     5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  93, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   4 ILE  HG13   31 CYX  HB3     3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 432, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   4 ILE  HG13   31 CYX  HB2     3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 431, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  22 LYS  QD     36 CYX  HB2     4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 285, 286,
 &end
#
#   8 GLY  HA3     9 SER  QB      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 101, 102,
 &end
#
#  25 LYS  HN     32 LYS  HN      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 437, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  26 CYX  HN     32 LYS  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 MET  HN     32 LYS  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 ILE  HN      5 SER  HN      4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  53, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   2 ALA  HN      4 ILE  HN      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  34, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  23 ASN  HN     35 TYR  HD      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 498, 507,
 &end
#
#  19 GLN  HN     20 GLY  HN      3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 258, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   6 CYX  HN     30 LYS  HA      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 407, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  33 CYX  HA     34 TYR  HD      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 477, 486,
 &end
#
#  11 GLU  HN     15 LYS  QE      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 188, 189,
 &end
#
#   6 CYX  HN     29 ARG  HA      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 383, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  10 PRO  HD2    11 GLU  HN      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 122, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  22 LYS  HZ1    35 TYR  QB      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 494, 495,
 &end
#
#  22 LYS  HN     35 TYR  QB      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 494, 495,
 &end
#
#  23 ASN  HN     35 TYR  QB      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 494, 495,
 &end
#
#  21 CYX  HB3    22 LYS  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   6 CYX  HN      7 VAL  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  74, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  22 LYS  HN     36 CYX  HN      5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 511, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 ASN  HN     36 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 ARG  HN     20 GLY  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 ARG  HN     21 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   6 CYX  HN     31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 MET  HN     30 LYS  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 405, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  29 ARG  HN     30 LYS  HN      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 405, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  22 LYS  HZ1    36 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  35 TYR  HD     36 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 498, 507,
 &end
#
#  35 TYR  HN     35 TYR  HD      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 498, 507,
 &end
#
#   9 SER  HN     15 LYS  QZ      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 191, 192, 193,
 &end
#
#  34 TYR  HD     35 TYR  HN      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 477, 486,
 &end
#
#  25 LYS  HN     34 TYR  HD      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 477, 486,
 &end
#
#  34 TYR  HN     34 TYR  HD      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 477, 486,
 &end
#
#  25 LYS  HN     34 TYR  HE      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 479, 484,
 &end
#
#  30 LYS  HA     31 CYX  HN      3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 427, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  24 GLY  HA3    33 CYX  HA      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 461, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  29 ARG  HN     29 ARG  HA      2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 383, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  17 ARG  HN     20 GLY  HA2     4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   6 CYX  QB     31 CYX  HN      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=  68,  69,
 &end
#
#   6 CYX  QB      7 VAL  HN      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  68,  69,
 &end
#
#  10 PRO  HB2    12 CYX  HN      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 137, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   7 VAL  QQG     8 GLY  HN      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  90, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   6 CYX  HN      7 VAL  QQG     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 VAL  QQG    29 ARG  QD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#   4 ILE  QG2    15 LYS  HA      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=  40,  41,  42,
 &end
#
#  23 ASN  HB2    34 TYR  HD      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 477, 486,
 &end
#
#   9 SER  QB     10 PRO  HG2     4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 101, 102,
 &end
#
#   4 ILE  QD1    31 CYX  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  47,  48,  49,
 &end
#
#  18 ALA  QB     20 GLY  HN      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 235, 236, 237,
 &end
#
#  27 MET  HN     28 ASN  HN      5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 367, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  23 ASN  HN     35 TYR  HN      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  34 TYR  HN     35 TYR  HD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 498, 507,
 &end
#
#  34 TYR  HN     34 TYR  HE      5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 479, 484,
 &end
#
#   5 SER  QB      6 CYX  QB      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=  57,  58,
 igr2=  68,  69,
 &end
#
#   9 SER  QB     15 LYS  QZ      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 101, 102,
 igr2= 191, 192, 193,
 &end
#
#  31 CYX  HA     32 LYS  HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 CYX  HA     32 LYS  HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 ALA  HA      4 ILE  QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  40,  41,  42,
 &end
#
#   4 ILE  QG2    16 CYX  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  40,  41,  42,
 &end
#
#   4 ILE  HB     15 LYS  QD      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 185, 186,
 &end
#
#   4 ILE  HB     31 CYX  QB      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 431, 432,
 &end
#
#   4 ILE  QG2    15 LYS  QD      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  40,  41,  42,
 igr2= 185, 186,
 &end
#
#   4 ILE  QG2    31 CYX  QB      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  40,  41,  42,
 igr2= 431, 432,
 &end
#
#   4 ILE  QD1    15 LYS  QD      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  47,  48,  49,
 igr2= 185, 186,
 &end
#
#   4 ILE  QD1    31 CYX  QB      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  47,  48,  49,
 igr2= 431, 432,
 &end
#
#   6 CYX  HN     29 ARG  QB      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 385, 386,
 &end
#
#   6 CYX  HN     29 ARG  QG      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 388, 389,
 &end
#
#   9 SER  HN     15 LYS  QG      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 182, 183,
 &end
#
#   9 SER  HN     15 LYS  QD      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 185, 186,
 &end
#
#  10 PRO  HG2    15 LYS  QG      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 182, 183,
 &end
#
#  11 GLU  HN     11 GLU  QB      3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 126, 127,
 &end
#
#  11 GLU  HN     11 GLU  QG      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 129, 130,
 &end
#
#  11 GLU  HA     11 GLU  QG      3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 129, 130,
 &end
#
#  11 GLU  QB     12 CYX  HN      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 126, 127,
 &end
#
#  11 GLU  QB     12 CYX  QB      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 126, 127,
 igr2= 141, 142,
 &end
#
#  11 GLU  QB     13 PRO  QD      3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 126, 127,
 igr2= 148, 149,
 &end
#
#  12 CYX  HN     13 PRO  QD      2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 148, 149,
 &end
#
#  12 CYX  QB     13 PRO  QB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 141, 142,
 igr2= 154, 155,
 &end
#
#  12 CYX  QB     13 PRO  QD      2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 141, 142,
 igr2= 148, 149,
 &end
#
#  12 CYX  QB     24 GLY  HN      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 141, 142,
 &end
#
#  12 CYX  QB     24 GLY  HA3     4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 141, 142,
 &end
#
#  12 CYX  QB     25 LYS  HN      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 141, 142,
 &end
#
#  13 PRO  QB     16 CYX  QB      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 154, 155,
 igr2= 201, 202,
 &end
#
#  13 PRO  QD     14 PRO  HD2     3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 148, 149,
 &end
#
#  13 PRO  QD     14 PRO  HD3     3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 148, 149,
 &end
#
#  13 PRO  QD     24 GLY  HN      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 148, 149,
 &end
#
#  14 PRO  HA     16 CYX  QB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 201, 202,
 &end
#
#  14 PRO  QG     15 LYS  QZ      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 165, 166,
 igr2= 191, 192, 193,
 &end
#
#  15 LYS  HN     15 LYS  QG      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 182, 183,
 &end
#
#  15 LYS  HN     15 LYS  QD      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 185, 186,
 &end
#
#  15 LYS  QB     15 LYS  QG      2.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#  15 LYS  QB     15 LYS  QD      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#  15 LYS  QB     31 CYX  QB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 igr2= 431, 432,
 &end
#
#  15 LYS  QG     15 LYS  QD      2.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#  15 LYS  QG     15 LYS  QE      3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 182, 183,
 igr2= 188, 189,
 &end
#
#  15 LYS  QG     15 LYS  QZ      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 182, 183,
 igr2= 191, 192, 193,
 &end
#
#  15 LYS  QD     15 LYS  QZ      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 185, 186,
 igr2= 191, 192, 193,
 &end
#
#  17 ARG  HN     21 CYX  QB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 269, 270,
 &end
#
#  17 ARG  QD     18 ALA  HN      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 217, 218,
 &end
#
#  17 ARG  QD     20 GLY  HN      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 217, 218,
 &end
#
#  17 ARG  QD     20 GLY  HA2     4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 217, 218,
 &end
#
#  17 ARG  QD     21 CYX  HN      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 217, 218,
 &end
#
#  18 ALA  QB     19 GLN  QG      4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 235, 236, 237,
 igr2= 248, 249,
 &end
#
#  18 ALA  QB     19 GLN  QE2     5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 235, 236, 237,
 igr2= 253, 254,
 &end
#
#  19 GLN  HN     19 GLN  QG      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 248, 249,
 &end
#
#  19 GLN  HA     19 GLN  QG      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 248, 249,
 &end
#
#  19 GLN  QB     19 GLN  QG      2.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr1= 245, 246,
 igr2= 248, 249,
 &end
#
#  19 GLN  QG     20 GLY  HN      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 248, 249,
 &end
#
#  19 GLN  QG     20 GLY  HA3     5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 248, 249,
 &end
#
#  21 CYX  HN     21 CYX  QB      3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 269, 270,
 &end
#
#  21 CYX  HA     36 CYX  QB      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 515, 516,
 &end
#
#  21 CYX  QB     22 LYS  HN      3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 269, 270,
 &end
#
#  21 CYX  QB     22 LYS  QB      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 269, 270,
 igr2= 279, 280,
 &end
#
#  21 CYX  QB     36 CYX  HN      5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 269, 270,
 &end
#
#  22 LYS  HN     22 LYS  QB      3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 279, 280,
 &end
#
#  22 LYS  HN     36 CYX  QB      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 515, 516,
 &end
#
#  22 LYS  QB     22 LYS  QD      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 279, 280,
 igr2= 285, 286,
 &end
#
#  22 LYS  QB     23 ASN  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 279, 280,
 &end
#
#  22 LYS  QB     23 ASN  QB      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 279, 280,
 igr2= 301, 302,
 &end
#
#  22 LYS  QB     35 TYR  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 279, 280,
 &end
#
#  22 LYS  QB     35 TYR  QB      3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 279, 280,
 igr2= 494, 495,
 &end
#
#  22 LYS  QB     35 TYR  HD      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 279, 280,
 igr2= 498, 507,
 &end
#
#  22 LYS  QB     35 TYR  QE      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 279, 280,
 igr2= 500, 507,
 &end
#
#  22 LYS  QB     36 CYX  QB      3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 279, 280,
 igr2= 515, 516,
 &end
#
#  22 LYS  QD     36 CYX  QB      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 285, 286,
 igr2= 515, 516,
 &end
#
#  22 LYS  HZ1    36 CYX  QB      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 515, 516,
 &end
#
#  22 LYS  HZ2    36 CYX  QB      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 515, 516,
 &end
#
#  23 ASN  HN     23 ASN  QB      3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 301, 302,
 &end
#
#  23 ASN  QB     24 GLY  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 301, 302,
 &end
#
#  23 ASN  QB     34 TYR  HD      3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 301, 302,
 igr2= 477, 486,
 &end
#
#  23 ASN  QB     34 TYR  QE      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 301, 302,
 igr2= 479, 486,
 &end
#
#  23 ASN  QB     35 TYR  HD      4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 301, 302,
 igr2= 498, 507,
 &end
#
#  23 ASN  QD2    34 TYR  QE      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 306, 307,
 igr2= 479, 486,
 &end
#
#  25 LYS  HN     25 LYS  QB      3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 322, 323,
 &end
#
#  25 LYS  QB     25 LYS  QD      2.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 322, 323,
 igr2= 328, 329,
 &end
#
#  25 LYS  QB     34 TYR  HD      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 322, 323,
 igr2= 477, 486,
 &end
#
#  25 LYS  QB     34 TYR  QE      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 322, 323,
 igr2= 479, 486,
 &end
#
#  26 CYX  HN     26 CYX  QB      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 344, 345,
 &end
#
#  26 CYX  QB     27 MET  HN      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 344, 345,
 &end
#
#  26 CYX  QB     31 CYX  HA      5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 344, 345,
 &end
#
#  26 CYX  QB     32 LYS  HN      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 344, 345,
 &end
#
#  27 MET  HN     27 MET  QB      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 354, 355,
 &end
#
#  27 MET  QB     30 LYS  QB      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 354, 355,
 igr2= 409, 410,
 &end
#
#  28 ASN  HN     29 ARG  QG      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 388, 389,
 &end
#
#  28 ASN  QB     30 LYS  HN      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 371, 372,
 &end
#
#  28 ASN  QB     30 LYS  QB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 371, 372,
 igr2= 409, 410,
 &end
#
#  29 ARG  HN     29 ARG  QB      3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 385, 386,
 &end
#
#  29 ARG  HN     29 ARG  QG      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 388, 389,
 &end
#
#  29 ARG  HA     29 ARG  QG      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 388, 389,
 &end
#
#  29 ARG  QB     29 ARG  HE      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 385, 386,
 &end
#
#  29 ARG  QG     30 LYS  HN      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 388, 389,
 &end
#
#  29 ARG  QG     30 LYS  QG      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 388, 389,
 igr2= 412, 413,
 &end
#
#  30 LYS  HN     30 LYS  QG      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 412, 413,
 &end
#
#  30 LYS  HA     30 LYS  QG      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 412, 413,
 &end
#
#  30 LYS  QB     31 CYX  QB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 409, 410,
 igr2= 431, 432,
 &end
#
#  31 CYX  HN     31 CYX  QB      3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 431, 432,
 &end
#
#  31 CYX  HA     32 LYS  QB      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 441, 442,
 &end
#
#  31 CYX  QB     32 LYS  HN      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 431, 432,
 &end
#
#  32 LYS  HN     32 LYS  QB      3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 441, 442,
 &end
#
#  32 LYS  QB     33 CYX  HN      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 441, 442,
 &end
#
#  32 LYS  QB     34 TYR  HD      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 441, 442,
 igr2= 477, 486,
 &end
#
#  34 TYR  HN     34 TYR  QB      3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 473, 474,
 &end
#
#  34 TYR  QB     35 TYR  HN      3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 473, 474,
 &end
#
#  34 TYR  QB     35 TYR  HD      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 473, 474,
 igr2= 498, 507,
 &end
#
#  34 TYR  QB     35 TYR  QE      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 473, 474,
 igr2= 500, 507,
 &end
#
#  36 CYX  HN     36 CYX  QB      3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 515, 516,
 &end
# 520 atoms read from pdb file vm24_start.amb.pdb.
# 1 ALA PSI:  (1 ALA N)-(1 ALA CA)-(1 ALA C)-(2 ALA N) -75.0 185.0
 &rst     iat =     1,     5,    11,    13,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 1 ALA PSI:  (1 ALA N)-(1 ALA CA)-(1 ALA C)-(2 ALA N)  25.0  55.0
 &rst     iat =     1,     5,    11,    13,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 1 ALA PSI:  (1 ALA N)-(1 ALA CA)-(1 ALA C)-(2 ALA N) 105.0 185.0
 &rst     iat =     1,     5,    11,    13,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 2 ALA PHI:  (1 ALA C)-(2 ALA N)-(2 ALA CA)-(2 ALA C) -175.0  75.0
 &rst     iat =    11,    13,    15,    21,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 2 ALA PSI:  (2 ALA N)-(2 ALA CA)-(2 ALA C)-(3 ALA N) -75.0 185.0
 &rst     iat =    13,    15,    21,    23,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 2 ALA PHI:  (1 ALA C)-(2 ALA N)-(2 ALA CA)-(2 ALA C) -255.0 -25.0
 &rst     iat =    11,    13,    15,    21,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 2 ALA PSI:  (2 ALA N)-(2 ALA CA)-(2 ALA C)-(3 ALA N)  25.0  55.0
 &rst     iat =    13,    15,    21,    23,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 2 ALA PHI:  (1 ALA C)-(2 ALA N)-(2 ALA CA)-(2 ALA C) -135.0  75.0
 &rst     iat =    11,    13,    15,    21,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 2 ALA PSI:  (2 ALA N)-(2 ALA CA)-(2 ALA C)-(3 ALA N) 105.0 185.0
 &rst     iat =    13,    15,    21,    23,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 3 ALA PHI:  (2 ALA C)-(3 ALA N)-(3 ALA CA)-(3 ALA C) -175.0  75.0
 &rst     iat =    21,    23,    25,    31,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 3 ALA PSI:  (3 ALA N)-(3 ALA CA)-(3 ALA C)-(4 ILE N) -75.0 185.0
 &rst     iat =    23,    25,    31,    33,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 3 ALA PHI:  (2 ALA C)-(3 ALA N)-(3 ALA CA)-(3 ALA C) -255.0 -25.0
 &rst     iat =    21,    23,    25,    31,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 3 ALA PSI:  (3 ALA N)-(3 ALA CA)-(3 ALA C)-(4 ILE N)  25.0  55.0
 &rst     iat =    23,    25,    31,    33,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 3 ALA PHI:  (2 ALA C)-(3 ALA N)-(3 ALA CA)-(3 ALA C) -135.0  75.0
 &rst     iat =    21,    23,    25,    31,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 3 ALA PSI:  (3 ALA N)-(3 ALA CA)-(3 ALA C)-(4 ILE N) 105.0 185.0
 &rst     iat =    23,    25,    31,    33,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 4 ILE PHI:  (3 ALA C)-(4 ILE N)-(4 ILE CA)-(4 ILE C) -175.0  75.0
 &rst     iat =    31,    33,    35,    50,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 4 ILE PSI:  (4 ILE N)-(4 ILE CA)-(4 ILE C)-(5 SER N) -75.0 185.0
 &rst     iat =    33,    35,    50,    52,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 4 ILE PHI:  (3 ALA C)-(4 ILE N)-(4 ILE CA)-(4 ILE C) -255.0 -25.0
 &rst     iat =    31,    33,    35,    50,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 4 ILE PSI:  (4 ILE N)-(4 ILE CA)-(4 ILE C)-(5 SER N)  25.0  55.0
 &rst     iat =    33,    35,    50,    52,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 4 ILE PHI:  (3 ALA C)-(4 ILE N)-(4 ILE CA)-(4 ILE C) -135.0  75.0
 &rst     iat =    31,    33,    35,    50,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 4 ILE PSI:  (4 ILE N)-(4 ILE CA)-(4 ILE C)-(5 SER N) 105.0 185.0
 &rst     iat =    33,    35,    50,    52,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 5 SER PHI:  (4 ILE C)-(5 SER N)-(5 SER CA)-(5 SER C) -175.0  75.0
 &rst     iat =    50,    52,    54,    61,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 5 SER PSI:  (5 SER N)-(5 SER CA)-(5 SER C)-(6 CYX N) -75.0 185.0
 &rst     iat =    52,    54,    61,    63,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 5 SER PHI:  (4 ILE C)-(5 SER N)-(5 SER CA)-(5 SER C) -255.0 -25.0
 &rst     iat =    50,    52,    54,    61,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 5 SER PSI:  (5 SER N)-(5 SER CA)-(5 SER C)-(6 CYX N)  25.0  55.0
 &rst     iat =    52,    54,    61,    63,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 5 SER PHI:  (4 ILE C)-(5 SER N)-(5 SER CA)-(5 SER C) -135.0  75.0
 &rst     iat =    50,    52,    54,    61,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 5 SER PSI:  (5 SER N)-(5 SER CA)-(5 SER C)-(6 CYX N) 105.0 185.0
 &rst     iat =    52,    54,    61,    63,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 6 CYS PHI:  (5 SER C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -175.0  75.0
 &rst     iat =    61,    63,    65,    71,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 VAL N) -75.0 185.0
 &rst     iat =    63,    65,    71,    73,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 6 CYS PHI:  (5 SER C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -255.0 -25.0
 &rst     iat =    61,    63,    65,    71,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 VAL N)  25.0  55.0
 &rst     iat =    63,    65,    71,    73,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 6 CYS PHI:  (5 SER C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -135.0  75.0
 &rst     iat =    61,    63,    65,    71,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 VAL N) 105.0 185.0
 &rst     iat =    63,    65,    71,    73,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 7 VAL PHI:  (6 CYX C)-(7 VAL N)-(7 VAL CA)-(7 VAL C) -175.0  75.0
 &rst     iat =    71,    73,    75,    87,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 7 VAL PSI:  (7 VAL N)-(7 VAL CA)-(7 VAL C)-(8 GLY N) -75.0 185.0
 &rst     iat =    73,    75,    87,    89,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 7 VAL PHI:  (6 CYX C)-(7 VAL N)-(7 VAL CA)-(7 VAL C) -255.0 -25.0
 &rst     iat =    71,    73,    75,    87,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 7 VAL PSI:  (7 VAL N)-(7 VAL CA)-(7 VAL C)-(8 GLY N)  25.0  55.0
 &rst     iat =    73,    75,    87,    89,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 7 VAL PHI:  (6 CYX C)-(7 VAL N)-(7 VAL CA)-(7 VAL C) -135.0  75.0
 &rst     iat =    71,    73,    75,    87,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 7 VAL PSI:  (7 VAL N)-(7 VAL CA)-(7 VAL C)-(8 GLY N) 105.0 185.0
 &rst     iat =    73,    75,    87,    89,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 11 GLU PHI:  (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -175.0  75.0
 &rst     iat =   119,   121,   123,   134,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 CYX N) -75.0 185.0
 &rst     iat =   121,   123,   134,   136,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 11 GLU PHI:  (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -255.0 -25.0
 &rst     iat =   119,   121,   123,   134,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 CYX N)  25.0  55.0
 &rst     iat =   121,   123,   134,   136,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 11 GLU PHI:  (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -135.0  75.0
 &rst     iat =   119,   121,   123,   134,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 CYX N) 105.0 185.0
 &rst     iat =   121,   123,   134,   136,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 15 LYS PHI:  (14 PRO C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -175.0  75.0
 &rst     iat =   172,   174,   176,   194,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 CYX N) -75.0 185.0
 &rst     iat =   174,   176,   194,   196,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 15 LYS PHI:  (14 PRO C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -255.0 -25.0
 &rst     iat =   172,   174,   176,   194,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 CYX N)  25.0  55.0
 &rst     iat =   174,   176,   194,   196,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 15 LYS PHI:  (14 PRO C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -135.0  75.0
 &rst     iat =   172,   174,   176,   194,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 CYX N) 105.0 185.0
 &rst     iat =   174,   176,   194,   196,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 16 CYS PHI:  (15 LYS C)-(16 CYX N)-(16 CYX CA)-(16 CYX C) -175.0  75.0
 &rst     iat =   194,   196,   198,   204,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 16 CYS PSI:  (16 CYX N)-(16 CYX CA)-(16 CYX C)-(17 ARG N) -75.0 185.0
 &rst     iat =   196,   198,   204,   206,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 16 CYS PHI:  (15 LYS C)-(16 CYX N)-(16 CYX CA)-(16 CYX C) -255.0 -25.0
 &rst     iat =   194,   196,   198,   204,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 16 CYS PSI:  (16 CYX N)-(16 CYX CA)-(16 CYX C)-(17 ARG N)  25.0  55.0
 &rst     iat =   196,   198,   204,   206,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 16 CYS PHI:  (15 LYS C)-(16 CYX N)-(16 CYX CA)-(16 CYX C) -135.0  75.0
 &rst     iat =   194,   196,   198,   204,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 16 CYS PSI:  (16 CYX N)-(16 CYX CA)-(16 CYX C)-(17 ARG N) 105.0 185.0
 &rst     iat =   196,   198,   204,   206,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 17 ARG PHI:  (16 CYX C)-(17 ARG N)-(17 ARG CA)-(17 ARG C) -175.0  75.0
 &rst     iat =   204,   206,   208,   228,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 17 ARG PSI:  (17 ARG N)-(17 ARG CA)-(17 ARG C)-(18 ALA N) -75.0 185.0
 &rst     iat =   206,   208,   228,   230,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 17 ARG PHI:  (16 CYX C)-(17 ARG N)-(17 ARG CA)-(17 ARG C) -255.0 -25.0
 &rst     iat =   204,   206,   208,   228,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 17 ARG PSI:  (17 ARG N)-(17 ARG CA)-(17 ARG C)-(18 ALA N)  25.0  55.0
 &rst     iat =   206,   208,   228,   230,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 17 ARG PHI:  (16 CYX C)-(17 ARG N)-(17 ARG CA)-(17 ARG C) -135.0  75.0
 &rst     iat =   204,   206,   208,   228,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 17 ARG PSI:  (17 ARG N)-(17 ARG CA)-(17 ARG C)-(18 ALA N) 105.0 185.0
 &rst     iat =   206,   208,   228,   230,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 18 ALA PHI:  (17 ARG C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -175.0  75.0
 &rst     iat =   228,   230,   232,   238,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 GLN N) -75.0 185.0
 &rst     iat =   230,   232,   238,   240,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 18 ALA PHI:  (17 ARG C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -255.0 -25.0
 &rst     iat =   228,   230,   232,   238,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 GLN N)  25.0  55.0
 &rst     iat =   230,   232,   238,   240,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 18 ALA PHI:  (17 ARG C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -135.0  75.0
 &rst     iat =   228,   230,   232,   238,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 GLN N) 105.0 185.0
 &rst     iat =   230,   232,   238,   240,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 19 GLN PHI:  (18 ALA C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -175.0  75.0
 &rst     iat =   238,   240,   242,   255,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 19 GLN PSI:  (19 GLN N)-(19 GLN CA)-(19 GLN C)-(20 GLY N) -75.0 185.0
 &rst     iat =   240,   242,   255,   257,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 19 GLN PHI:  (18 ALA C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -255.0 -25.0
 &rst     iat =   238,   240,   242,   255,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 19 GLN PSI:  (19 GLN N)-(19 GLN CA)-(19 GLN C)-(20 GLY N)  25.0  55.0
 &rst     iat =   240,   242,   255,   257,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 19 GLN PHI:  (18 ALA C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -135.0  75.0
 &rst     iat =   238,   240,   242,   255,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 19 GLN PSI:  (19 GLN N)-(19 GLN CA)-(19 GLN C)-(20 GLY N) 105.0 185.0
 &rst     iat =   240,   242,   255,   257,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 21 CYS PHI:  (20 GLY C)-(21 CYX N)-(21 CYX CA)-(21 CYX C) -175.0  75.0
 &rst     iat =   262,   264,   266,   272,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 21 CYS PSI:  (21 CYX N)-(21 CYX CA)-(21 CYX C)-(22 LYS N) -75.0 185.0
 &rst     iat =   264,   266,   272,   274,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 21 CYS PHI:  (20 GLY C)-(21 CYX N)-(21 CYX CA)-(21 CYX C) -255.0 -25.0
 &rst     iat =   262,   264,   266,   272,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 21 CYS PSI:  (21 CYX N)-(21 CYX CA)-(21 CYX C)-(22 LYS N)  25.0  55.0
 &rst     iat =   264,   266,   272,   274,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 21 CYS PHI:  (20 GLY C)-(21 CYX N)-(21 CYX CA)-(21 CYX C) -135.0  75.0
 &rst     iat =   262,   264,   266,   272,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 21 CYS PSI:  (21 CYX N)-(21 CYX CA)-(21 CYX C)-(22 LYS N) 105.0 185.0
 &rst     iat =   264,   266,   272,   274,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 22 LYS PHI:  (21 CYX C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -175.0  75.0
 &rst     iat =   272,   274,   276,   294,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 ASN N) -75.0 185.0
 &rst     iat =   274,   276,   294,   296,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 22 LYS PHI:  (21 CYX C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -255.0 -25.0
 &rst     iat =   272,   274,   276,   294,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 ASN N)  25.0  55.0
 &rst     iat =   274,   276,   294,   296,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 22 LYS PHI:  (21 CYX C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -135.0  75.0
 &rst     iat =   272,   274,   276,   294,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 ASN N) 105.0 185.0
 &rst     iat =   274,   276,   294,   296,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 23 ASN PHI:  (22 LYS C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -175.0  75.0
 &rst     iat =   294,   296,   298,   308,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 23 ASN PSI:  (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 GLY N) -75.0 185.0
 &rst     iat =   296,   298,   308,   310,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 23 ASN PHI:  (22 LYS C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -255.0 -25.0
 &rst     iat =   294,   296,   298,   308,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 23 ASN PSI:  (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 GLY N)  25.0  55.0
 &rst     iat =   296,   298,   308,   310,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 23 ASN PHI:  (22 LYS C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -135.0  75.0
 &rst     iat =   294,   296,   298,   308,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 23 ASN PSI:  (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 GLY N) 105.0 185.0
 &rst     iat =   296,   298,   308,   310,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 25 LYS PHI:  (24 GLY C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -175.0  75.0
 &rst     iat =   315,   317,   319,   337,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 CYX N) -75.0 185.0
 &rst     iat =   317,   319,   337,   339,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 25 LYS PHI:  (24 GLY C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -255.0 -25.0
 &rst     iat =   315,   317,   319,   337,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 CYX N)  25.0  55.0
 &rst     iat =   317,   319,   337,   339,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 25 LYS PHI:  (24 GLY C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -135.0  75.0
 &rst     iat =   315,   317,   319,   337,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 CYX N) 105.0 185.0
 &rst     iat =   317,   319,   337,   339,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 26 CYS PHI:  (25 LYS C)-(26 CYX N)-(26 CYX CA)-(26 CYX C) -175.0  75.0
 &rst     iat =   337,   339,   341,   347,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 26 CYS PSI:  (26 CYX N)-(26 CYX CA)-(26 CYX C)-(27 MET N) -75.0 185.0
 &rst     iat =   339,   341,   347,   349,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 26 CYS PHI:  (25 LYS C)-(26 CYX N)-(26 CYX CA)-(26 CYX C) -255.0 -25.0
 &rst     iat =   337,   339,   341,   347,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 26 CYS PSI:  (26 CYX N)-(26 CYX CA)-(26 CYX C)-(27 MET N)  25.0  55.0
 &rst     iat =   339,   341,   347,   349,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 26 CYS PHI:  (25 LYS C)-(26 CYX N)-(26 CYX CA)-(26 CYX C) -135.0  75.0
 &rst     iat =   337,   339,   341,   347,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 26 CYS PSI:  (26 CYX N)-(26 CYX CA)-(26 CYX C)-(27 MET N) 105.0 185.0
 &rst     iat =   339,   341,   347,   349,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 27 MET PHI:  (26 CYX C)-(27 MET N)-(27 MET CA)-(27 MET C) -175.0  75.0
 &rst     iat =   347,   349,   351,   364,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 27 MET PSI:  (27 MET N)-(27 MET CA)-(27 MET C)-(28 ASN N) -75.0 185.0
 &rst     iat =   349,   351,   364,   366,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 27 MET PHI:  (26 CYX C)-(27 MET N)-(27 MET CA)-(27 MET C) -255.0 -25.0
 &rst     iat =   347,   349,   351,   364,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 27 MET PSI:  (27 MET N)-(27 MET CA)-(27 MET C)-(28 ASN N)  25.0  55.0
 &rst     iat =   349,   351,   364,   366,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 27 MET PHI:  (26 CYX C)-(27 MET N)-(27 MET CA)-(27 MET C) -135.0  75.0
 &rst     iat =   347,   349,   351,   364,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 27 MET PSI:  (27 MET N)-(27 MET CA)-(27 MET C)-(28 ASN N) 105.0 185.0
 &rst     iat =   349,   351,   364,   366,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 28 ASN PHI:  (27 MET C)-(28 ASN N)-(28 ASN CA)-(28 ASN C) -175.0  75.0
 &rst     iat =   364,   366,   368,   378,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 28 ASN PSI:  (28 ASN N)-(28 ASN CA)-(28 ASN C)-(29 ARG N) -75.0 185.0
 &rst     iat =   366,   368,   378,   380,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 28 ASN PHI:  (27 MET C)-(28 ASN N)-(28 ASN CA)-(28 ASN C) -255.0 -25.0
 &rst     iat =   364,   366,   368,   378,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 28 ASN PSI:  (28 ASN N)-(28 ASN CA)-(28 ASN C)-(29 ARG N)  25.0  55.0
 &rst     iat =   366,   368,   378,   380,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 28 ASN PHI:  (27 MET C)-(28 ASN N)-(28 ASN CA)-(28 ASN C) -135.0  75.0
 &rst     iat =   364,   366,   368,   378,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 28 ASN PSI:  (28 ASN N)-(28 ASN CA)-(28 ASN C)-(29 ARG N) 105.0 185.0
 &rst     iat =   366,   368,   378,   380,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 29 ARG PHI:  (28 ASN C)-(29 ARG N)-(29 ARG CA)-(29 ARG C) -175.0  75.0
 &rst     iat =   378,   380,   382,   402,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 29 ARG PSI:  (29 ARG N)-(29 ARG CA)-(29 ARG C)-(30 LYS N) -75.0 185.0
 &rst     iat =   380,   382,   402,   404,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 29 ARG PHI:  (28 ASN C)-(29 ARG N)-(29 ARG CA)-(29 ARG C) -255.0 -25.0
 &rst     iat =   378,   380,   382,   402,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 29 ARG PSI:  (29 ARG N)-(29 ARG CA)-(29 ARG C)-(30 LYS N)  25.0  55.0
 &rst     iat =   380,   382,   402,   404,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 29 ARG PHI:  (28 ASN C)-(29 ARG N)-(29 ARG CA)-(29 ARG C) -135.0  75.0
 &rst     iat =   378,   380,   382,   402,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 29 ARG PSI:  (29 ARG N)-(29 ARG CA)-(29 ARG C)-(30 LYS N) 105.0 185.0
 &rst     iat =   380,   382,   402,   404,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 30 LYS PHI:  (29 ARG C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -175.0  75.0
 &rst     iat =   402,   404,   406,   424,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 CYX N) -75.0 185.0
 &rst     iat =   404,   406,   424,   426,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 30 LYS PHI:  (29 ARG C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -255.0 -25.0
 &rst     iat =   402,   404,   406,   424,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 CYX N)  25.0  55.0
 &rst     iat =   404,   406,   424,   426,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 30 LYS PHI:  (29 ARG C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -135.0  75.0
 &rst     iat =   402,   404,   406,   424,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 CYX N) 105.0 185.0
 &rst     iat =   404,   406,   424,   426,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 31 CYS PHI:  (30 LYS C)-(31 CYX N)-(31 CYX CA)-(31 CYX C) -175.0  75.0
 &rst     iat =   424,   426,   428,   434,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 31 CYS PSI:  (31 CYX N)-(31 CYX CA)-(31 CYX C)-(32 LYS N) -75.0 185.0
 &rst     iat =   426,   428,   434,   436,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 31 CYS PHI:  (30 LYS C)-(31 CYX N)-(31 CYX CA)-(31 CYX C) -255.0 -25.0
 &rst     iat =   424,   426,   428,   434,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 31 CYS PSI:  (31 CYX N)-(31 CYX CA)-(31 CYX C)-(32 LYS N)  25.0  55.0
 &rst     iat =   426,   428,   434,   436,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 31 CYS PHI:  (30 LYS C)-(31 CYX N)-(31 CYX CA)-(31 CYX C) -135.0  75.0
 &rst     iat =   424,   426,   428,   434,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 31 CYS PSI:  (31 CYX N)-(31 CYX CA)-(31 CYX C)-(32 LYS N) 105.0 185.0
 &rst     iat =   426,   428,   434,   436,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 32 LYS PHI:  (31 CYX C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -175.0  75.0
 &rst     iat =   434,   436,   438,   456,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 CYX N) -75.0 185.0
 &rst     iat =   436,   438,   456,   458,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 32 LYS PHI:  (31 CYX C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -255.0 -25.0
 &rst     iat =   434,   436,   438,   456,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 CYX N)  25.0  55.0
 &rst     iat =   436,   438,   456,   458,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 32 LYS PHI:  (31 CYX C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -135.0  75.0
 &rst     iat =   434,   436,   438,   456,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 CYX N) 105.0 185.0
 &rst     iat =   436,   438,   456,   458,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 33 CYS PHI:  (32 LYS C)-(33 CYX N)-(33 CYX CA)-(33 CYX C) -175.0  75.0
 &rst     iat =   456,   458,   460,   466,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 33 CYS PSI:  (33 CYX N)-(33 CYX CA)-(33 CYX C)-(34 TYR N) -75.0 185.0
 &rst     iat =   458,   460,   466,   468,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 33 CYS PHI:  (32 LYS C)-(33 CYX N)-(33 CYX CA)-(33 CYX C) -255.0 -25.0
 &rst     iat =   456,   458,   460,   466,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 33 CYS PSI:  (33 CYX N)-(33 CYX CA)-(33 CYX C)-(34 TYR N)  25.0  55.0
 &rst     iat =   458,   460,   466,   468,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 33 CYS PHI:  (32 LYS C)-(33 CYX N)-(33 CYX CA)-(33 CYX C) -135.0  75.0
 &rst     iat =   456,   458,   460,   466,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 33 CYS PSI:  (33 CYX N)-(33 CYX CA)-(33 CYX C)-(34 TYR N) 105.0 185.0
 &rst     iat =   458,   460,   466,   468,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 34 TYR PHI:  (33 CYX C)-(34 TYR N)-(34 TYR CA)-(34 TYR C) -175.0  75.0
 &rst     iat =   466,   468,   470,   487,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 34 TYR PSI:  (34 TYR N)-(34 TYR CA)-(34 TYR C)-(35 TYR N) -75.0 185.0
 &rst     iat =   468,   470,   487,   489,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 34 TYR PHI:  (33 CYX C)-(34 TYR N)-(34 TYR CA)-(34 TYR C) -255.0 -25.0
 &rst     iat =   466,   468,   470,   487,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 34 TYR PSI:  (34 TYR N)-(34 TYR CA)-(34 TYR C)-(35 TYR N)  25.0  55.0
 &rst     iat =   468,   470,   487,   489,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 34 TYR PHI:  (33 CYX C)-(34 TYR N)-(34 TYR CA)-(34 TYR C) -135.0  75.0
 &rst     iat =   466,   468,   470,   487,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 34 TYR PSI:  (34 TYR N)-(34 TYR CA)-(34 TYR C)-(35 TYR N) 105.0 185.0
 &rst     iat =   468,   470,   487,   489,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 35 TYR PHI:  (34 TYR C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -175.0  75.0
 &rst     iat =   487,   489,   491,   508,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 CYX N) -75.0 185.0
 &rst     iat =   489,   491,   508,   510,
   r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
 &end

# 35 TYR PHI:  (34 TYR C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -255.0 -25.0
 &rst     iat =   487,   489,   491,   508,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 CYX N)  25.0  55.0
 &rst     iat =   489,   491,   508,   510,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 &end

# 35 TYR PHI:  (34 TYR C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -135.0  75.0
 &rst     iat =   487,   489,   491,   508,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 CYX N) 105.0 185.0
 &rst     iat =   489,   491,   508,   510,
   r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
 &end

# 36 CYS PHI:  (35 TYR C)-(36 CYX N)-(36 CYX CA)-(36 CYX C) -175.0  75.0
 &rst     iat =   508,   510,   512,   518,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 36 CYS PHI:  (35 TYR C)-(36 CYX N)-(36 CYX CA)-(36 CYX C) -255.0 -25.0
 &rst     iat =   508,   510,   512,   518,
   r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
 &end

# 36 CYS PHI:  (35 TYR C)-(36 CYX N)-(36 CYX CA)-(36 CYX C) -135.0  75.0
 &rst     iat =   508,   510,   512,   518,
   r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
 &end

# 4 ILE CHI1:  (4 ILE N)-(4 ILE CA)-(4 ILE CB)-(4 ILE CG1) -90.0 210.0
 &rst     iat =    33,    35,    37,    43,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ILE CHI1:  (4 ILE N)-(4 ILE CA)-(4 ILE CB)-(4 ILE CG1) -330.0 -30.0
 &rst     iat =    33,    35,    37,    43,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 4 ILE CHI1:  (4 ILE N)-(4 ILE CA)-(4 ILE CB)-(4 ILE CG1) -210.0  90.0
 &rst     iat =    33,    35,    37,    43,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 4 ILE CHI21:  (4 ILE CA)-(4 ILE CB)-(4 ILE CG1)-(4 ILE CD1) -90.0 210.0
 &rst     iat =    35,    37,    43,    46,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ILE CHI21:  (4 ILE CA)-(4 ILE CB)-(4 ILE CG1)-(4 ILE CD1) -330.0 -30.0
 &rst     iat =    35,    37,    43,    46,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 4 ILE CHI21:  (4 ILE CA)-(4 ILE CB)-(4 ILE CG1)-(4 ILE CD1) -210.0  90.0
 &rst     iat =    35,    37,    43,    46,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 5 SER CHI1:  (5 SER N)-(5 SER CA)-(5 SER CB)-(5 SER OG) -90.0 210.0
 &rst     iat =    52,    54,    56,    59,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 5 SER CHI1:  (5 SER N)-(5 SER CA)-(5 SER CB)-(5 SER OG) -330.0 -30.0
 &rst     iat =    52,    54,    56,    59,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 5 SER CHI1:  (5 SER N)-(5 SER CA)-(5 SER CB)-(5 SER OG) -210.0  90.0
 &rst     iat =    52,    54,    56,    59,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 6 CYS CHI1:  (6 CYX N)-(6 CYX CA)-(6 CYX CB)-(6 CYX SG) -90.0 210.0
 &rst     iat =    63,    65,    67,    70,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 CYS CHI1:  (6 CYX N)-(6 CYX CA)-(6 CYX CB)-(6 CYX SG) -330.0 -30.0
 &rst     iat =    63,    65,    67,    70,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 6 CYS CHI1:  (6 CYX N)-(6 CYX CA)-(6 CYX CB)-(6 CYX SG) -210.0  90.0
 &rst     iat =    63,    65,    67,    70,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 7 VAL CHI1:  (7 VAL N)-(7 VAL CA)-(7 VAL CB)-(7 VAL CG1) -90.0 210.0
 &rst     iat =    73,    75,    77,    79,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 VAL CHI1:  (7 VAL N)-(7 VAL CA)-(7 VAL CB)-(7 VAL CG1) -330.0 -30.0
 &rst     iat =    73,    75,    77,    79,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 7 VAL CHI1:  (7 VAL N)-(7 VAL CA)-(7 VAL CB)-(7 VAL CG1) -210.0  90.0
 &rst     iat =    73,    75,    77,    79,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 9 SER CHI1:  (9 SER N)-(9 SER CA)-(9 SER CB)-(9 SER OG) -90.0 210.0
 &rst     iat =    96,    98,   100,   103,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 9 SER CHI1:  (9 SER N)-(9 SER CA)-(9 SER CB)-(9 SER OG) -330.0 -30.0
 &rst     iat =    96,    98,   100,   103,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 9 SER CHI1:  (9 SER N)-(9 SER CA)-(9 SER CB)-(9 SER OG) -210.0  90.0
 &rst     iat =    96,    98,   100,   103,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 11 GLU CHI1:  (11 GLU N)-(11 GLU CA)-(11 GLU CB)-(11 GLU CG) -90.0 210.0
 &rst     iat =   121,   123,   125,   128,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 11 GLU CHI1:  (11 GLU N)-(11 GLU CA)-(11 GLU CB)-(11 GLU CG) -330.0 -30.0
 &rst     iat =   121,   123,   125,   128,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 11 GLU CHI1:  (11 GLU N)-(11 GLU CA)-(11 GLU CB)-(11 GLU CG) -210.0  90.0
 &rst     iat =   121,   123,   125,   128,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 11 GLU CHI2:  (11 GLU CA)-(11 GLU CB)-(11 GLU CG)-(11 GLU CD) -90.0 210.0
 &rst     iat =   123,   125,   128,   131,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 11 GLU CHI2:  (11 GLU CA)-(11 GLU CB)-(11 GLU CG)-(11 GLU CD) -330.0 -30.0
 &rst     iat =   123,   125,   128,   131,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 11 GLU CHI2:  (11 GLU CA)-(11 GLU CB)-(11 GLU CG)-(11 GLU CD) -210.0  90.0
 &rst     iat =   123,   125,   128,   131,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 12 CYS CHI1:  (12 CYX N)-(12 CYX CA)-(12 CYX CB)-(12 CYX SG) -90.0 210.0
 &rst     iat =   136,   138,   140,   143,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 12 CYS CHI1:  (12 CYX N)-(12 CYX CA)-(12 CYX CB)-(12 CYX SG) -330.0 -30.0
 &rst     iat =   136,   138,   140,   143,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 CYS CHI1:  (12 CYX N)-(12 CYX CA)-(12 CYX CB)-(12 CYX SG) -210.0  90.0
 &rst     iat =   136,   138,   140,   143,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 LYS CHI1:  (15 LYS N)-(15 LYS CA)-(15 LYS CB)-(15 LYS CG) -90.0 210.0
 &rst     iat =   174,   176,   178,   181,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 LYS CHI1:  (15 LYS N)-(15 LYS CA)-(15 LYS CB)-(15 LYS CG) -330.0 -30.0
 &rst     iat =   174,   176,   178,   181,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 LYS CHI1:  (15 LYS N)-(15 LYS CA)-(15 LYS CB)-(15 LYS CG) -210.0  90.0
 &rst     iat =   174,   176,   178,   181,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 LYS CHI2:  (15 LYS CA)-(15 LYS CB)-(15 LYS CG)-(15 LYS CD) -90.0 210.0
 &rst     iat =   176,   178,   181,   184,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 LYS CHI2:  (15 LYS CA)-(15 LYS CB)-(15 LYS CG)-(15 LYS CD) -330.0 -30.0
 &rst     iat =   176,   178,   181,   184,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 LYS CHI2:  (15 LYS CA)-(15 LYS CB)-(15 LYS CG)-(15 LYS CD) -210.0  90.0
 &rst     iat =   176,   178,   181,   184,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 LYS CHI3:  (15 LYS CB)-(15 LYS CG)-(15 LYS CD)-(15 LYS CE) -90.0 210.0
 &rst     iat =   178,   181,   184,   187,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 LYS CHI3:  (15 LYS CB)-(15 LYS CG)-(15 LYS CD)-(15 LYS CE) -330.0 -30.0
 &rst     iat =   178,   181,   184,   187,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 LYS CHI3:  (15 LYS CB)-(15 LYS CG)-(15 LYS CD)-(15 LYS CE) -210.0  90.0
 &rst     iat =   178,   181,   184,   187,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 LYS CHI4:  (15 LYS CG)-(15 LYS CD)-(15 LYS CE)-(15 LYS NZ) -90.0 210.0
 &rst     iat =   181,   184,   187,   190,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 LYS CHI4:  (15 LYS CG)-(15 LYS CD)-(15 LYS CE)-(15 LYS NZ) -330.0 -30.0
 &rst     iat =   181,   184,   187,   190,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 LYS CHI4:  (15 LYS CG)-(15 LYS CD)-(15 LYS CE)-(15 LYS NZ) -210.0  90.0
 &rst     iat =   181,   184,   187,   190,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 16 CYS CHI1:  (16 CYX N)-(16 CYX CA)-(16 CYX CB)-(16 CYX SG) -90.0 210.0
 &rst     iat =   196,   198,   200,   203,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 16 CYS CHI1:  (16 CYX N)-(16 CYX CA)-(16 CYX CB)-(16 CYX SG) -330.0 -30.0
 &rst     iat =   196,   198,   200,   203,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 CYS CHI1:  (16 CYX N)-(16 CYX CA)-(16 CYX CB)-(16 CYX SG) -210.0  90.0
 &rst     iat =   196,   198,   200,   203,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 17 ARG CHI1:  (17 ARG N)-(17 ARG CA)-(17 ARG CB)-(17 ARG CG) -90.0 210.0
 &rst     iat =   206,   208,   210,   213,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 ARG CHI1:  (17 ARG N)-(17 ARG CA)-(17 ARG CB)-(17 ARG CG) -330.0 -30.0
 &rst     iat =   206,   208,   210,   213,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 17 ARG CHI1:  (17 ARG N)-(17 ARG CA)-(17 ARG CB)-(17 ARG CG) -210.0  90.0
 &rst     iat =   206,   208,   210,   213,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 17 ARG CHI2:  (17 ARG CA)-(17 ARG CB)-(17 ARG CG)-(17 ARG CD) -90.0 210.0
 &rst     iat =   208,   210,   213,   216,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 ARG CHI2:  (17 ARG CA)-(17 ARG CB)-(17 ARG CG)-(17 ARG CD) -330.0 -30.0
 &rst     iat =   208,   210,   213,   216,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 17 ARG CHI2:  (17 ARG CA)-(17 ARG CB)-(17 ARG CG)-(17 ARG CD) -210.0  90.0
 &rst     iat =   208,   210,   213,   216,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 17 ARG CHI3:  (17 ARG CB)-(17 ARG CG)-(17 ARG CD)-(17 ARG NE) -90.0 210.0
 &rst     iat =   210,   213,   216,   219,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 ARG CHI3:  (17 ARG CB)-(17 ARG CG)-(17 ARG CD)-(17 ARG NE) -330.0 -30.0
 &rst     iat =   210,   213,   216,   219,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 17 ARG CHI3:  (17 ARG CB)-(17 ARG CG)-(17 ARG CD)-(17 ARG NE) -210.0  90.0
 &rst     iat =   210,   213,   216,   219,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 19 GLN CHI1:  (19 GLN N)-(19 GLN CA)-(19 GLN CB)-(19 GLN CG) -90.0 210.0
 &rst     iat =   240,   242,   244,   247,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 19 GLN CHI1:  (19 GLN N)-(19 GLN CA)-(19 GLN CB)-(19 GLN CG) -330.0 -30.0
 &rst     iat =   240,   242,   244,   247,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 19 GLN CHI1:  (19 GLN N)-(19 GLN CA)-(19 GLN CB)-(19 GLN CG) -210.0  90.0
 &rst     iat =   240,   242,   244,   247,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 19 GLN CHI2:  (19 GLN CA)-(19 GLN CB)-(19 GLN CG)-(19 GLN CD) -90.0 210.0
 &rst     iat =   242,   244,   247,   250,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 19 GLN CHI2:  (19 GLN CA)-(19 GLN CB)-(19 GLN CG)-(19 GLN CD) -330.0 -30.0
 &rst     iat =   242,   244,   247,   250,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 19 GLN CHI2:  (19 GLN CA)-(19 GLN CB)-(19 GLN CG)-(19 GLN CD) -210.0  90.0
 &rst     iat =   242,   244,   247,   250,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 21 CYS CHI1:  (21 CYX N)-(21 CYX CA)-(21 CYX CB)-(21 CYX SG) -90.0 210.0
 &rst     iat =   264,   266,   268,   271,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 21 CYS CHI1:  (21 CYX N)-(21 CYX CA)-(21 CYX CB)-(21 CYX SG) -330.0 -30.0
 &rst     iat =   264,   266,   268,   271,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 21 CYS CHI1:  (21 CYX N)-(21 CYX CA)-(21 CYX CB)-(21 CYX SG) -210.0  90.0
 &rst     iat =   264,   266,   268,   271,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 22 LYS CHI1:  (22 LYS N)-(22 LYS CA)-(22 LYS CB)-(22 LYS CG) -90.0 210.0
 &rst     iat =   274,   276,   278,   281,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 LYS CHI1:  (22 LYS N)-(22 LYS CA)-(22 LYS CB)-(22 LYS CG) -330.0 -30.0
 &rst     iat =   274,   276,   278,   281,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 22 LYS CHI1:  (22 LYS N)-(22 LYS CA)-(22 LYS CB)-(22 LYS CG) -210.0  90.0
 &rst     iat =   274,   276,   278,   281,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 22 LYS CHI2:  (22 LYS CA)-(22 LYS CB)-(22 LYS CG)-(22 LYS CD) -90.0 210.0
 &rst     iat =   276,   278,   281,   284,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 LYS CHI2:  (22 LYS CA)-(22 LYS CB)-(22 LYS CG)-(22 LYS CD) -330.0 -30.0
 &rst     iat =   276,   278,   281,   284,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 22 LYS CHI2:  (22 LYS CA)-(22 LYS CB)-(22 LYS CG)-(22 LYS CD) -210.0  90.0
 &rst     iat =   276,   278,   281,   284,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 22 LYS CHI3:  (22 LYS CB)-(22 LYS CG)-(22 LYS CD)-(22 LYS CE) -90.0 210.0
 &rst     iat =   278,   281,   284,   287,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 LYS CHI3:  (22 LYS CB)-(22 LYS CG)-(22 LYS CD)-(22 LYS CE) -330.0 -30.0
 &rst     iat =   278,   281,   284,   287,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 22 LYS CHI3:  (22 LYS CB)-(22 LYS CG)-(22 LYS CD)-(22 LYS CE) -210.0  90.0
 &rst     iat =   278,   281,   284,   287,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 22 LYS CHI4:  (22 LYS CG)-(22 LYS CD)-(22 LYS CE)-(22 LYS NZ) -90.0 210.0
 &rst     iat =   281,   284,   287,   290,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 LYS CHI4:  (22 LYS CG)-(22 LYS CD)-(22 LYS CE)-(22 LYS NZ) -330.0 -30.0
 &rst     iat =   281,   284,   287,   290,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 22 LYS CHI4:  (22 LYS CG)-(22 LYS CD)-(22 LYS CE)-(22 LYS NZ) -210.0  90.0
 &rst     iat =   281,   284,   287,   290,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 23 ASN CHI1:  (23 ASN N)-(23 ASN CA)-(23 ASN CB)-(23 ASN CG) -90.0 210.0
 &rst     iat =   296,   298,   300,   303,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 23 ASN CHI1:  (23 ASN N)-(23 ASN CA)-(23 ASN CB)-(23 ASN CG) -330.0 -30.0
 &rst     iat =   296,   298,   300,   303,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 23 ASN CHI1:  (23 ASN N)-(23 ASN CA)-(23 ASN CB)-(23 ASN CG) -210.0  90.0
 &rst     iat =   296,   298,   300,   303,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 25 LYS CHI1:  (25 LYS N)-(25 LYS CA)-(25 LYS CB)-(25 LYS CG) -90.0 210.0
 &rst     iat =   317,   319,   321,   324,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 25 LYS CHI1:  (25 LYS N)-(25 LYS CA)-(25 LYS CB)-(25 LYS CG) -330.0 -30.0
 &rst     iat =   317,   319,   321,   324,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 25 LYS CHI1:  (25 LYS N)-(25 LYS CA)-(25 LYS CB)-(25 LYS CG) -210.0  90.0
 &rst     iat =   317,   319,   321,   324,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 25 LYS CHI2:  (25 LYS CA)-(25 LYS CB)-(25 LYS CG)-(25 LYS CD) -90.0 210.0
 &rst     iat =   319,   321,   324,   327,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 25 LYS CHI2:  (25 LYS CA)-(25 LYS CB)-(25 LYS CG)-(25 LYS CD) -330.0 -30.0
 &rst     iat =   319,   321,   324,   327,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 25 LYS CHI2:  (25 LYS CA)-(25 LYS CB)-(25 LYS CG)-(25 LYS CD) -210.0  90.0
 &rst     iat =   319,   321,   324,   327,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 25 LYS CHI3:  (25 LYS CB)-(25 LYS CG)-(25 LYS CD)-(25 LYS CE) -90.0 210.0
 &rst     iat =   321,   324,   327,   330,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 25 LYS CHI3:  (25 LYS CB)-(25 LYS CG)-(25 LYS CD)-(25 LYS CE) -330.0 -30.0
 &rst     iat =   321,   324,   327,   330,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 25 LYS CHI3:  (25 LYS CB)-(25 LYS CG)-(25 LYS CD)-(25 LYS CE) -210.0  90.0
 &rst     iat =   321,   324,   327,   330,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 25 LYS CHI4:  (25 LYS CG)-(25 LYS CD)-(25 LYS CE)-(25 LYS NZ) -90.0 210.0
 &rst     iat =   324,   327,   330,   333,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 25 LYS CHI4:  (25 LYS CG)-(25 LYS CD)-(25 LYS CE)-(25 LYS NZ) -330.0 -30.0
 &rst     iat =   324,   327,   330,   333,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 25 LYS CHI4:  (25 LYS CG)-(25 LYS CD)-(25 LYS CE)-(25 LYS NZ) -210.0  90.0
 &rst     iat =   324,   327,   330,   333,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 26 CYS CHI1:  (26 CYX N)-(26 CYX CA)-(26 CYX CB)-(26 CYX SG) -90.0 210.0
 &rst     iat =   339,   341,   343,   346,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 26 CYS CHI1:  (26 CYX N)-(26 CYX CA)-(26 CYX CB)-(26 CYX SG) -330.0 -30.0
 &rst     iat =   339,   341,   343,   346,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 26 CYS CHI1:  (26 CYX N)-(26 CYX CA)-(26 CYX CB)-(26 CYX SG) -210.0  90.0
 &rst     iat =   339,   341,   343,   346,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 27 MET CHI1:  (27 MET N)-(27 MET CA)-(27 MET CB)-(27 MET CG) -90.0 210.0
 &rst     iat =   349,   351,   353,   356,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 27 MET CHI1:  (27 MET N)-(27 MET CA)-(27 MET CB)-(27 MET CG) -330.0 -30.0
 &rst     iat =   349,   351,   353,   356,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 27 MET CHI1:  (27 MET N)-(27 MET CA)-(27 MET CB)-(27 MET CG) -210.0  90.0
 &rst     iat =   349,   351,   353,   356,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 27 MET CHI2:  (27 MET CA)-(27 MET CB)-(27 MET CG)-(27 MET SD) -90.0 210.0
 &rst     iat =   351,   353,   356,   359,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 27 MET CHI2:  (27 MET CA)-(27 MET CB)-(27 MET CG)-(27 MET SD) -330.0 -30.0
 &rst     iat =   351,   353,   356,   359,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 27 MET CHI2:  (27 MET CA)-(27 MET CB)-(27 MET CG)-(27 MET SD) -210.0  90.0
 &rst     iat =   351,   353,   356,   359,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 28 ASN CHI1:  (28 ASN N)-(28 ASN CA)-(28 ASN CB)-(28 ASN CG) -90.0 210.0
 &rst     iat =   366,   368,   370,   373,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 ASN CHI1:  (28 ASN N)-(28 ASN CA)-(28 ASN CB)-(28 ASN CG) -330.0 -30.0
 &rst     iat =   366,   368,   370,   373,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 28 ASN CHI1:  (28 ASN N)-(28 ASN CA)-(28 ASN CB)-(28 ASN CG) -210.0  90.0
 &rst     iat =   366,   368,   370,   373,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 29 ARG CHI1:  (29 ARG N)-(29 ARG CA)-(29 ARG CB)-(29 ARG CG) -90.0 210.0
 &rst     iat =   380,   382,   384,   387,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 29 ARG CHI1:  (29 ARG N)-(29 ARG CA)-(29 ARG CB)-(29 ARG CG) -330.0 -30.0
 &rst     iat =   380,   382,   384,   387,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 29 ARG CHI1:  (29 ARG N)-(29 ARG CA)-(29 ARG CB)-(29 ARG CG) -210.0  90.0
 &rst     iat =   380,   382,   384,   387,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 29 ARG CHI2:  (29 ARG CA)-(29 ARG CB)-(29 ARG CG)-(29 ARG CD) -90.0 210.0
 &rst     iat =   382,   384,   387,   390,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 29 ARG CHI2:  (29 ARG CA)-(29 ARG CB)-(29 ARG CG)-(29 ARG CD) -330.0 -30.0
 &rst     iat =   382,   384,   387,   390,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 29 ARG CHI2:  (29 ARG CA)-(29 ARG CB)-(29 ARG CG)-(29 ARG CD) -210.0  90.0
 &rst     iat =   382,   384,   387,   390,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 29 ARG CHI3:  (29 ARG CB)-(29 ARG CG)-(29 ARG CD)-(29 ARG NE) -90.0 210.0
 &rst     iat =   384,   387,   390,   393,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 29 ARG CHI3:  (29 ARG CB)-(29 ARG CG)-(29 ARG CD)-(29 ARG NE) -330.0 -30.0
 &rst     iat =   384,   387,   390,   393,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 29 ARG CHI3:  (29 ARG CB)-(29 ARG CG)-(29 ARG CD)-(29 ARG NE) -210.0  90.0
 &rst     iat =   384,   387,   390,   393,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 30 LYS CHI1:  (30 LYS N)-(30 LYS CA)-(30 LYS CB)-(30 LYS CG) -90.0 210.0
 &rst     iat =   404,   406,   408,   411,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 30 LYS CHI1:  (30 LYS N)-(30 LYS CA)-(30 LYS CB)-(30 LYS CG) -330.0 -30.0
 &rst     iat =   404,   406,   408,   411,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 LYS CHI1:  (30 LYS N)-(30 LYS CA)-(30 LYS CB)-(30 LYS CG) -210.0  90.0
 &rst     iat =   404,   406,   408,   411,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 30 LYS CHI2:  (30 LYS CA)-(30 LYS CB)-(30 LYS CG)-(30 LYS CD) -90.0 210.0
 &rst     iat =   406,   408,   411,   414,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 30 LYS CHI2:  (30 LYS CA)-(30 LYS CB)-(30 LYS CG)-(30 LYS CD) -330.0 -30.0
 &rst     iat =   406,   408,   411,   414,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 LYS CHI2:  (30 LYS CA)-(30 LYS CB)-(30 LYS CG)-(30 LYS CD) -210.0  90.0
 &rst     iat =   406,   408,   411,   414,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 30 LYS CHI3:  (30 LYS CB)-(30 LYS CG)-(30 LYS CD)-(30 LYS CE) -90.0 210.0
 &rst     iat =   408,   411,   414,   417,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 30 LYS CHI3:  (30 LYS CB)-(30 LYS CG)-(30 LYS CD)-(30 LYS CE) -330.0 -30.0
 &rst     iat =   408,   411,   414,   417,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 LYS CHI3:  (30 LYS CB)-(30 LYS CG)-(30 LYS CD)-(30 LYS CE) -210.0  90.0
 &rst     iat =   408,   411,   414,   417,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 30 LYS CHI4:  (30 LYS CG)-(30 LYS CD)-(30 LYS CE)-(30 LYS NZ) -90.0 210.0
 &rst     iat =   411,   414,   417,   420,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 30 LYS CHI4:  (30 LYS CG)-(30 LYS CD)-(30 LYS CE)-(30 LYS NZ) -330.0 -30.0
 &rst     iat =   411,   414,   417,   420,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 LYS CHI4:  (30 LYS CG)-(30 LYS CD)-(30 LYS CE)-(30 LYS NZ) -210.0  90.0
 &rst     iat =   411,   414,   417,   420,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 31 CYS CHI1:  (31 CYX N)-(31 CYX CA)-(31 CYX CB)-(31 CYX SG) -90.0 210.0
 &rst     iat =   426,   428,   430,   433,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 31 CYS CHI1:  (31 CYX N)-(31 CYX CA)-(31 CYX CB)-(31 CYX SG) -330.0 -30.0
 &rst     iat =   426,   428,   430,   433,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 31 CYS CHI1:  (31 CYX N)-(31 CYX CA)-(31 CYX CB)-(31 CYX SG) -210.0  90.0
 &rst     iat =   426,   428,   430,   433,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 32 LYS CHI1:  (32 LYS N)-(32 LYS CA)-(32 LYS CB)-(32 LYS CG) -90.0 210.0
 &rst     iat =   436,   438,   440,   443,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI1:  (32 LYS N)-(32 LYS CA)-(32 LYS CB)-(32 LYS CG) -330.0 -30.0
 &rst     iat =   436,   438,   440,   443,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 LYS CHI1:  (32 LYS N)-(32 LYS CA)-(32 LYS CB)-(32 LYS CG) -210.0  90.0
 &rst     iat =   436,   438,   440,   443,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 32 LYS CHI2:  (32 LYS CA)-(32 LYS CB)-(32 LYS CG)-(32 LYS CD) -90.0 210.0
 &rst     iat =   438,   440,   443,   446,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI2:  (32 LYS CA)-(32 LYS CB)-(32 LYS CG)-(32 LYS CD) -330.0 -30.0
 &rst     iat =   438,   440,   443,   446,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 LYS CHI2:  (32 LYS CA)-(32 LYS CB)-(32 LYS CG)-(32 LYS CD) -210.0  90.0
 &rst     iat =   438,   440,   443,   446,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 32 LYS CHI3:  (32 LYS CB)-(32 LYS CG)-(32 LYS CD)-(32 LYS CE) -90.0 210.0
 &rst     iat =   440,   443,   446,   449,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI3:  (32 LYS CB)-(32 LYS CG)-(32 LYS CD)-(32 LYS CE) -330.0 -30.0
 &rst     iat =   440,   443,   446,   449,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 LYS CHI3:  (32 LYS CB)-(32 LYS CG)-(32 LYS CD)-(32 LYS CE) -210.0  90.0
 &rst     iat =   440,   443,   446,   449,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 32 LYS CHI4:  (32 LYS CG)-(32 LYS CD)-(32 LYS CE)-(32 LYS NZ) -90.0 210.0
 &rst     iat =   443,   446,   449,   452,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI4:  (32 LYS CG)-(32 LYS CD)-(32 LYS CE)-(32 LYS NZ) -330.0 -30.0
 &rst     iat =   443,   446,   449,   452,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 LYS CHI4:  (32 LYS CG)-(32 LYS CD)-(32 LYS CE)-(32 LYS NZ) -210.0  90.0
 &rst     iat =   443,   446,   449,   452,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 33 CYS CHI1:  (33 CYX N)-(33 CYX CA)-(33 CYX CB)-(33 CYX SG) -90.0 210.0
 &rst     iat =   458,   460,   462,   465,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 33 CYS CHI1:  (33 CYX N)-(33 CYX CA)-(33 CYX CB)-(33 CYX SG) -330.0 -30.0
 &rst     iat =   458,   460,   462,   465,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 33 CYS CHI1:  (33 CYX N)-(33 CYX CA)-(33 CYX CB)-(33 CYX SG) -210.0  90.0
 &rst     iat =   458,   460,   462,   465,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 34 TYR CHI1:  (34 TYR N)-(34 TYR CA)-(34 TYR CB)-(34 TYR CG) -90.0 210.0
 &rst     iat =   468,   470,   472,   475,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 34 TYR CHI1:  (34 TYR N)-(34 TYR CA)-(34 TYR CB)-(34 TYR CG) -330.0 -30.0
 &rst     iat =   468,   470,   472,   475,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 34 TYR CHI1:  (34 TYR N)-(34 TYR CA)-(34 TYR CB)-(34 TYR CG) -210.0  90.0
 &rst     iat =   468,   470,   472,   475,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 35 TYR CHI1:  (35 TYR N)-(35 TYR CA)-(35 TYR CB)-(35 TYR CG) -90.0 210.0
 &rst     iat =   489,   491,   493,   496,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 35 TYR CHI1:  (35 TYR N)-(35 TYR CA)-(35 TYR CB)-(35 TYR CG) -330.0 -30.0
 &rst     iat =   489,   491,   493,   496,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 35 TYR CHI1:  (35 TYR N)-(35 TYR CA)-(35 TYR CB)-(35 TYR CG) -210.0  90.0
 &rst     iat =   489,   491,   493,   496,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

# 36 CYS CHI1:  (36 CYX N)-(36 CYX CA)-(36 CYX CB)-(36 CYX SG) -90.0 210.0
 &rst     iat =   510,   512,   514,   517,
   r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
 &end

# 36 CYS CHI1:  (36 CYX N)-(36 CYX CA)-(36 CYX CB)-(36 CYX SG) -330.0 -30.0
 &rst     iat =   510,   512,   514,   517,
   r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
 &end

# 36 CYS CHI1:  (36 CYX N)-(36 CYX CA)-(36 CYX CB)-(36 CYX SG) -210.0  90.0
 &rst     iat =   510,   512,   514,   517,
   r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
 &end

#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,21,16,17, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=23,31,26,27, &end
#
#  chirality for residue 4 atoms:  CA CG2 CG1 HB
 &rst iat=35,39,43,38, &end
#
#  chirality for residue 4 atoms:  CB CD1 HG12 HG13
 &rst iat=37,46,44,45, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=33,50,36,37, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=54,59,57,58, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=52,61,55,56, &end
#
#  chirality for residue 6 atoms:  CA SG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=63,71,66,67, &end
#
#  chirality for residue 7 atoms:  CA CG1 CG2 HB
 &rst iat=75,79,83,78, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=73,87,76,77, &end
#
#  chirality for residue 8 atoms:  N C HA2 HA3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 9 atoms:  CA OG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=96,105,99,100, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=117,111,115,116, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=114,108,112,113, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=111,107,109,110, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=107,119,118,114, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=123,128,126,127, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=125,131,129,130, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=121,134,124,125, &end
#
#  chirality for residue 12 atoms:  CA SG HB2 HB3
 &rst iat=138,143,141,142, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=136,144,139,140, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=156,150,154,155, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=153,147,151,152, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=150,146,148,149, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=146,158,157,153, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=170,164,168,169, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=167,161,165,166, &end
#
#  chirality for residue 14 atoms:  CG N HD2 HD3
 &rst iat=164,160,162,163, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=160,172,171,167, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=176,181,179,180, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=178,184,182,183, &end
#
#  chirality for residue 15 atoms:  CD NZ HE2 HE3
 &rst iat=184,190,188,189, &end
#
#  chirality for residue 15 atoms:  CG CE HD2 HD3
 &rst iat=181,187,185,186, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=174,194,177,178, &end
#
#  chirality for residue 16 atoms:  CA SG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=196,204,199,200, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=208,213,211,212, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=210,216,214,215, &end
#
#  chirality for residue 17 atoms:  CG NE HD2 HD3
 &rst iat=213,219,217,218, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=206,228,209,210, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=230,238,233,234, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=240,255,243,244, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=257,262,260,261, &end
#
#  chirality for residue 21 atoms:  CA SG HB2 HB3
 &rst iat=266,271,269,270, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=264,272,267,268, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=276,281,279,280, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=284,290,288,289, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=274,294,277,278, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=298,303,301,302, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=296,308,299,300, &end
#
#  chirality for residue 24 atoms:  N C HA2 HA3
 &rst iat=310,315,313,314, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=321,327,325,326, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=327,333,331,332, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=324,330,328,329, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=317,337,320,321, &end
#
#  chirality for residue 26 atoms:  CA SG HB2 HB3
 &rst iat=341,346,344,345, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=339,347,342,343, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=351,356,354,355, &end
#
#  chirality for residue 27 atoms:  CB SD HG2 HG3
 &rst iat=353,359,357,358, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=349,364,352,353, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=368,373,371,372, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=366,378,369,370, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 29 atoms:  CG NE HD2 HD3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=380,402,383,384, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=406,411,409,410, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=408,414,412,413, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=414,420,418,419, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=411,417,415,416, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=404,424,407,408, &end
#
#  chirality for residue 31 atoms:  CA SG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=426,434,429,430, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=438,443,441,442, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=440,446,444,445, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=446,452,450,451, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=443,449,447,448, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=436,456,439,440, &end
#
#  chirality for residue 33 atoms:  CA SG HB2 HB3
 &rst iat=460,465,463,464, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=458,466,461,462, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=470,475,473,474, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=468,487,471,472, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=491,496,494,495, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=489,508,492,493, &end
#
#  chirality for residue 36 atoms:  CA SG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=510,518,513,514, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=25,23,21,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=35,33,31,25, &end
#
#  trans-omega constraint for residue 5
 &rst iat=54,52,50,35, &end
#
#  trans-omega constraint for residue 6
 &rst iat=65,63,61,54, &end
#
#  trans-omega constraint for residue 7
 &rst iat=75,73,71,65, &end
#
#  trans-omega constraint for residue 8
 &rst iat=91,89,87,75, &end
#
#  trans-omega constraint for residue 9
 &rst iat=98,96,94,91, &end
#
#  trans-omega constraint for residue 10
 &rst iat=117,107,105,98, &end
#
#  trans-omega constraint for residue 11
 &rst iat=123,121,119,117, &end
#
#  trans-omega constraint for residue 12
 &rst iat=138,136,134,123, &end
#
#  trans-omega constraint for residue 13
 &rst iat=156,146,144,138, &end
#
#  trans-omega constraint for residue 14
 &rst iat=170,160,158,156, &end
#
#  trans-omega constraint for residue 15
 &rst iat=176,174,172,170, &end
#
#  trans-omega constraint for residue 16
 &rst iat=198,196,194,176, &end
#
#  trans-omega constraint for residue 17
 &rst iat=208,206,204,198, &end
#
#  trans-omega constraint for residue 18
 &rst iat=232,230,228,208, &end
#
#  trans-omega constraint for residue 19
 &rst iat=242,240,238,232, &end
#
#  trans-omega constraint for residue 20
 &rst iat=259,257,255,242, &end
#
#  trans-omega constraint for residue 21
 &rst iat=266,264,262,259, &end
#
#  trans-omega constraint for residue 22
 &rst iat=276,274,272,266, &end
#
#  trans-omega constraint for residue 23
 &rst iat=298,296,294,276, &end
#
#  trans-omega constraint for residue 24
 &rst iat=312,310,308,298, &end
#
#  trans-omega constraint for residue 25
 &rst iat=319,317,315,312, &end
#
#  trans-omega constraint for residue 26
 &rst iat=341,339,337,319, &end
#
#  trans-omega constraint for residue 27
 &rst iat=351,349,347,341, &end
#
#  trans-omega constraint for residue 28
 &rst iat=368,366,364,351, &end
#
#  trans-omega constraint for residue 29
 &rst iat=382,380,378,368, &end
#
#  trans-omega constraint for residue 30
 &rst iat=406,404,402,382, &end
#
#  trans-omega constraint for residue 31
 &rst iat=428,426,424,406, &end
#
#  trans-omega constraint for residue 32
 &rst iat=438,436,434,428, &end
#
#  trans-omega constraint for residue 33
 &rst iat=460,458,456,438, &end
#
#  trans-omega constraint for residue 34
 &rst iat=470,468,466,460, &end
#
#  trans-omega constraint for residue 35
 &rst iat=491,489,487,470, &end
#
#  trans-omega constraint for residue 36
 &rst iat=512,510,508,491, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  -8.066 -10.980   3.707
    2    H2   ALA   1           H2       ALA   1  -8.850  -9.684   3.035
    3    H3   ALA   1           H3       ALA   1  -9.435 -10.407   4.400
    4    HA   ALA   1           HA       ALA   1  -8.377  -8.317   4.884
    5    HB1  ALA   1           HB1      ALA   1  -8.413 -10.054   6.627
    6    HB2  ALA   1           HB2      ALA   1  -6.913 -10.750   5.970
    7    HB3  ALA   1           HB3      ALA   1  -6.895  -9.141   6.689
    8    H    ALA   2           H        ALA   2  -6.573  -6.962   4.846
    9    HA   ALA   2           HA       ALA   2  -4.026  -7.982   3.914
   10    HB1  ALA   2           HB1      ALA   2  -5.478  -7.257   1.794
   11    HB2  ALA   2           HB2      ALA   2  -4.914  -5.643   2.290
   12    HB3  ALA   2           HB3      ALA   2  -3.750  -6.920   1.916
   13    H    ALA   3           H        ALA   3  -2.395  -5.983   3.759
   14    HA   ALA   3           HA       ALA   3  -2.410  -5.272   6.489
   15    HB1  ALA   3           HB1      ALA   3  -0.349  -4.669   4.331
   16    HB2  ALA   3           HB2      ALA   3  -0.057  -4.619   6.083
   17    HB3  ALA   3           HB3      ALA   3  -0.438  -6.158   5.302
   18    H    ILE   4           H        ILE   4  -3.630  -3.281   4.102
   19    HA   ILE   4           HA       ILE   4  -3.757  -1.082   6.015
   20    HB   ILE   4           HB       ILE   4  -3.188   0.627   4.390
   21   HG12  ILE   4          HG12      ILE   4  -1.631  -1.203   2.638
   22   HG13  ILE   4          HG13      ILE   4  -3.359  -1.285   2.424
   23   HG21  ILE   4          HG21      ILE   4  -0.781   0.562   4.502
   24   HG22  ILE   4          HG22      ILE   4  -1.482  -0.017   6.022
   25   HG23  ILE   4          HG23      ILE   4  -0.798  -1.175   4.855
   26   HD11  ILE   4          HD11      ILE   4  -1.699   1.218   2.147
   27   HD12  ILE   4          HD12      ILE   4  -2.572   0.332   0.876
   28   HD13  ILE   4          HD13      ILE   4  -3.477   1.192   2.118
   29    H    SER   5           H        SER   5  -5.362   0.515   5.456
   30    HA   SER   5           HA       SER   5  -7.481  -0.345   3.586
   31    HB2  SER   5           HB2      SER   5  -7.229   2.063   5.400
   32    HB3  SER   5           HB3      SER   5  -8.590   1.765   4.288
   33    HG   SER   5           HG       SER   5  -9.093   0.898   6.292
   34    H    CYS   6           H        CYS   6  -7.391   0.048   1.508
   35    HA   CYS   6           HA       CYS   6  -5.219   1.539   0.304
   36    HB2  CYS   6           HB2      CYS   6  -6.320  -0.492  -0.585
   37    HB3  CYS   6           HB3      CYS   6  -7.774   0.452  -0.914
   38    H    VAL   7           H        VAL   7  -8.624   2.270   0.872
   39    HA   VAL   7           HA       VAL   7  -9.048   4.569  -0.629
   40    HB   VAL   7           HB       VAL   7 -10.898   5.009   0.996
   41   HG11  VAL   7          HG11      VAL   7 -10.643   2.086   0.186
   42   HG12  VAL   7          HG12      VAL   7 -12.134   2.990   0.538
   43   HG13  VAL   7          HG13      VAL   7 -11.157   3.424  -0.869
   44   HG21  VAL   7          HG21      VAL   7  -9.866   2.575   2.533
   45   HG22  VAL   7          HG22      VAL   7  -9.804   4.258   3.120
   46   HG23  VAL   7          HG23      VAL   7 -11.355   3.479   2.823
   47    H    GLY   8           H        GLY   8  -7.077   4.551   2.192
   48    HA2  GLY   8           HA2      GLY   8  -7.746   6.685   3.711
   49    HA3  GLY   8           HA3      GLY   8  -6.088   6.216   3.365
   50    H    SER   9           H        SER   9  -4.947   7.249   1.630
   51    HA   SER   9           HA       SER   9  -6.049   9.716   0.461
   52    HB2  SER   9           HB2      SER   9  -3.957   9.722   2.609
   53    HB3  SER   9           HB3      SER   9  -3.761  10.848   1.229
   54    HG   SER   9           HG       SER   9  -5.004  12.008   2.460
   55    HA   PRO  10           HA       PRO  10  -2.341   8.192  -2.091
   56    HB2  PRO  10           HB2      PRO  10  -0.380   6.634  -1.111
   57    HB3  PRO  10           HB3      PRO  10  -0.393   8.393  -0.732
   58    HG2  PRO  10           HG2      PRO  10  -1.473   6.106   0.937
   59    HG3  PRO  10           HG3      PRO  10  -0.331   7.381   1.478
   60    HD2  PRO  10           HD2      PRO  10  -3.045   7.522   1.906
   61    HD3  PRO  10           HD3      PRO  10  -2.060   8.978   1.551
   62    H    GLU  11           H        GLU  11  -1.923   5.966  -3.210
   63    HA   GLU  11           HA       GLU  11  -4.083   4.097  -2.731
   64    HB2  GLU  11           HB2      GLU  11  -1.569   3.827  -4.408
   65    HB3  GLU  11           HB3      GLU  11  -2.857   2.631  -4.345
   66    HG2  GLU  11           HG2      GLU  11  -4.468   4.131  -5.294
   67    HG3  GLU  11           HG3      GLU  11  -3.401   5.521  -5.127
   68    H    CYS  12           H        CYS  12  -0.507   3.369  -2.384
   69    HA   CYS  12           HA       CYS  12  -1.222   1.816   0.024
   70    HB2  CYS  12           HB2      CYS  12  -1.975   0.370  -1.697
   71    HB3  CYS  12           HB3      CYS  12  -0.459   0.474  -2.567
   72    HA   PRO  13           HA       PRO  13   3.293   0.742  -0.086
   73    HB2  PRO  13           HB2      PRO  13   5.060   2.193  -1.721
   74    HB3  PRO  13           HB3      PRO  13   4.464   0.532  -1.957
   75    HG2  PRO  13           HG2      PRO  13   3.474   3.081  -3.211
   76    HG3  PRO  13           HG3      PRO  13   3.585   1.446  -3.927
   77    HD2  PRO  13           HD2      PRO  13   1.227   2.480  -3.044
   78    HD3  PRO  13           HD3      PRO  13   1.618   0.755  -2.881
   79    HA   PRO  14           HA       PRO  14   4.811   4.945   1.591
   80    HB2  PRO  14           HB2      PRO  14   3.500   7.271   1.213
   81    HB3  PRO  14           HB3      PRO  14   4.584   6.588  -0.036
   82    HG2  PRO  14           HG2      PRO  14   1.574   6.296   0.163
   83    HG3  PRO  14           HG3      PRO  14   2.523   6.856  -1.256
   84    HD2  PRO  14           HD2      PRO  14   1.701   4.274  -0.988
   85    HD3  PRO  14           HD3      PRO  14   3.298   4.683  -1.701
   86    H    LYS  15           H        LYS  15   1.769   3.584   1.853
   87    HA   LYS  15           HA       LYS  15   1.123   4.836   4.487
   88    HB2  LYS  15           HB2      LYS  15  -0.535   4.681   2.539
   89    HB3  LYS  15           HB3      LYS  15  -0.588   2.949   2.858
   90    HG2  LYS  15           HG2      LYS  15  -1.294   3.513   5.244
   91    HG3  LYS  15           HG3      LYS  15  -1.389   5.207   4.741
   92    HD2  LYS  15           HD2      LYS  15  -3.030   2.873   3.673
   93    HD3  LYS  15           HD3      LYS  15  -3.595   4.153   4.728
   94    HE2  LYS  15           HE2      LYS  15  -4.127   5.457   3.029
   95    HE3  LYS  15           HE3      LYS  15  -2.481   5.436   2.431
   96    HZ1  LYS  15           HZ1      LYS  15  -4.528   3.371   1.797
   97    HZ2  LYS  15           HZ2      LYS  15  -4.081   4.567   0.759
   98    HZ3  LYS  15           HZ3      LYS  15  -3.021   3.432   1.129
   99    H    CYS  16           H        CYS  16   2.265   1.829   3.049
  100    HA   CYS  16           HA       CYS  16   1.791   0.092   5.291
  101    HB2  CYS  16           HB2      CYS  16   3.826   0.039   3.028
  102    HB3  CYS  16           HB3      CYS  16   3.618  -1.278   4.184
  103    H    ARG  17           H        ARG  17   4.378   2.394   4.634
  104    HA   ARG  17           HA       ARG  17   5.176   2.562   7.389
  105    HB2  ARG  17           HB2      ARG  17   7.557   2.124   7.047
  106    HB3  ARG  17           HB3      ARG  17   6.591   0.670   6.735
  107    HG2  ARG  17           HG2      ARG  17   6.821   0.994   4.304
  108    HG3  ARG  17           HG3      ARG  17   7.657   2.528   4.568
  109    HD2  ARG  17           HD2      ARG  17   9.230   0.835   3.983
  110    HD3  ARG  17           HD3      ARG  17   9.531   1.400   5.627
  111    HE   ARG  17           HE       ARG  17   7.807  -0.917   5.666
  112   HH11  ARG  17          HH11      ARG  17  11.243  -0.234   5.198
  113   HH12  ARG  17          HH12      ARG  17  11.661  -1.613   6.217
  114   HH21  ARG  17          HH21      ARG  17   8.418  -2.694   6.499
  115   HH22  ARG  17          HH22      ARG  17  10.105  -3.185   6.584
  116    H    ALA  18           H        ALA  18   6.819   4.277   7.656
  117    HA   ALA  18           HA       ALA  18   5.882   6.671   6.521
  118    HB1  ALA  18           HB1      ALA  18   6.881   6.426   8.753
  119    HB2  ALA  18           HB2      ALA  18   8.454   6.034   8.028
  120    HB3  ALA  18           HB3      ALA  18   7.756   7.664   7.826
  121    H    GLN  19           H        GLN  19   9.027   5.072   5.856
  122    HA   GLN  19           HA       GLN  19   9.695   6.950   3.698
  123    HB2  GLN  19           HB2      GLN  19  11.710   5.708   3.435
  124    HB3  GLN  19           HB3      GLN  19  11.468   6.209   5.099
  125    HG2  GLN  19           HG2      GLN  19  10.645   3.420   4.197
  126    HG3  GLN  19           HG3      GLN  19  12.318   3.829   4.538
  127   HE21  GLN  19          HE22      GLN  19  12.963   4.330   6.760
  128   HE22  GLN  19          HE21      GLN  19  11.866   3.968   8.088
  129    H    GLY  20           H        GLY  20   7.484   4.616   3.753
  130    HA2  GLY  20           HA2      GLY  20   6.293   3.516   2.245
  131    HA3  GLY  20           HA3      GLY  20   7.196   4.281   0.929
  132    H    CYS  21           H        CYS  21   6.068   1.604   1.259
  133    HA   CYS  21           HA       CYS  21   8.358  -0.239   1.243
  134    HB2  CYS  21           HB2      CYS  21   5.387  -0.504   0.766
  135    HB3  CYS  21           HB3      CYS  21   6.475  -1.780   0.255
  136    H    LYS  22           H        LYS  22   8.733  -1.645  -0.619
  137    HA   LYS  22           HA       LYS  22   9.716  -0.060  -2.796
  138    HB2  LYS  22           HB2      LYS  22   9.503  -3.041  -2.280
  139    HB3  LYS  22           HB3      LYS  22  10.244  -2.390  -3.738
  140    HG2  LYS  22           HG2      LYS  22  11.936  -3.022  -2.149
  141    HG3  LYS  22           HG3      LYS  22  11.987  -1.284  -2.429
  142    HD2  LYS  22           HD2      LYS  22  11.025  -0.816  -0.283
  143    HD3  LYS  22           HD3      LYS  22  10.605  -2.519  -0.007
  144    HE2  LYS  22           HE2      LYS  22  13.487  -1.700  -0.466
  145    HE3  LYS  22           HE3      LYS  22  12.766  -1.398   1.113
  146    HZ1  LYS  22           HZ1      LYS  22  12.531  -3.664   1.515
  147    HZ2  LYS  22           HZ2      LYS  22  12.590  -4.086  -0.067
  148    HZ3  LYS  22           HZ3      LYS  22  13.964  -3.594   0.709
  149    H    ASN  23           H        ASN  23   7.022  -2.439  -2.680
  150    HA   ASN  23           HA       ASN  23   5.530  -0.835  -4.617
  151    HB2  ASN  23           HB2      ASN  23   6.988  -2.463  -5.979
  152    HB3  ASN  23           HB3      ASN  23   6.085  -3.771  -5.245
  153   HD21  ASN  23          HD22      ASN  23   5.874  -3.996  -7.782
  154   HD22  ASN  23          HD21      ASN  23   4.283  -3.401  -8.298
  155    H    GLY  24           H        GLY  24   3.277  -2.093  -4.975
  156    HA2  GLY  24           HA2      GLY  24   2.441  -3.981  -2.978
  157    HA3  GLY  24           HA3      GLY  24   1.746  -2.381  -2.676
  158    H    LYS  25           H        LYS  25   0.024  -4.360  -3.132
  159    HA   LYS  25           HA       LYS  25  -1.195  -3.637  -5.754
  160    HB2  LYS  25           HB2      LYS  25  -0.035  -5.756  -6.087
  161    HB3  LYS  25           HB3      LYS  25  -0.874  -6.456  -4.699
  162    HG2  LYS  25           HG2      LYS  25  -1.836  -7.280  -6.716
  163    HG3  LYS  25           HG3      LYS  25  -3.033  -6.265  -5.926
  164    HD2  LYS  25           HD2      LYS  25  -2.787  -4.533  -7.546
  165    HD3  LYS  25           HD3      LYS  25  -1.232  -5.170  -8.130
  166    HE2  LYS  25           HE2      LYS  25  -2.243  -7.051  -9.174
  167    HE3  LYS  25           HE3      LYS  25  -3.762  -6.843  -8.303
  168    HZ1  LYS  25           HZ1      LYS  25  -2.808  -4.927 -10.358
  169    HZ2  LYS  25           HZ2      LYS  25  -3.865  -6.157 -10.624
  170    HZ3  LYS  25           HZ3      LYS  25  -4.273  -4.936  -9.596
  171    H    CYS  26           H        CYS  26  -3.068  -2.817  -5.418
  172    HA   CYS  26           HA       CYS  26  -4.732  -3.568  -3.079
  173    HB2  CYS  26           HB2      CYS  26  -4.111  -1.288  -2.988
  174    HB3  CYS  26           HB3      CYS  26  -4.365  -1.048  -4.707
  175    H    MET  27           H        MET  27  -6.564  -4.676  -3.410
  176    HA   MET  27           HA       MET  27  -7.519  -5.022  -6.233
  177    HB2  MET  27           HB2      MET  27  -7.987  -6.845  -3.850
  178    HB3  MET  27           HB3      MET  27  -8.538  -7.106  -5.493
  179    HG2  MET  27           HG2      MET  27  -5.616  -6.880  -4.672
  180    HG3  MET  27           HG3      MET  27  -6.482  -8.393  -4.864
  181    HE1  MET  27           HE1      MET  27  -6.864  -9.639  -6.968
  182    HE2  MET  27           HE2      MET  27  -8.119  -8.453  -7.391
  183    HE3  MET  27           HE3      MET  27  -6.906  -8.934  -8.593
  184    H    ASN  28           H        ASN  28  -8.976  -5.014  -2.936
  185    HA   ASN  28           HA       ASN  28 -10.974  -3.040  -3.848
  186    HB2  ASN  28           HB2      ASN  28 -11.917  -5.288  -4.393
  187    HB3  ASN  28           HB3      ASN  28 -11.804  -5.713  -2.681
  188   HD21  ASN  28          HD22      ASN  28 -14.226  -6.007  -3.498
  189   HD22  ASN  28          HD21      ASN  28 -15.262  -4.615  -3.185
  190    H    ARG  29           H        ARG  29 -10.966  -1.531  -2.376
  191    HA   ARG  29           HA       ARG  29 -10.260  -0.244  -0.669
  192    HB2  ARG  29           HB2      ARG  29 -11.423  -2.239   1.268
  193    HB3  ARG  29           HB3      ARG  29 -11.405  -0.477   1.357
  194    HG2  ARG  29           HG2      ARG  29 -13.077  -2.240  -0.407
  195    HG3  ARG  29           HG3      ARG  29 -13.541  -1.295   0.997
  196    HD2  ARG  29           HD2      ARG  29 -12.828   0.802  -0.332
  197    HD3  ARG  29           HD3      ARG  29 -12.884  -0.254  -1.766
  198    HE   ARG  29           HE       ARG  29 -15.164   0.595  -0.042
  199   HH11  ARG  29          HH11      ARG  29 -14.369  -1.486  -2.773
  200   HH12  ARG  29          HH12      ARG  29 -15.977  -1.317  -3.420
  201   HH21  ARG  29          HH21      ARG  29 -17.113   0.372  -0.652
  202   HH22  ARG  29          HH22      ARG  29 -17.554  -0.512  -2.116
  203    H    LYS  30           H        LYS  30  -8.655  -3.198  -0.701
  204    HA   LYS  30           HA       LYS  30  -6.937  -2.477   1.640
  205    HB2  LYS  30           HB2      LYS  30  -8.076  -5.181   0.789
  206    HB3  LYS  30           HB3      LYS  30  -6.912  -4.957   2.081
  207    HG2  LYS  30           HG2      LYS  30  -9.736  -3.818   2.079
  208    HG3  LYS  30           HG3      LYS  30  -9.180  -5.246   2.950
  209    HD2  LYS  30           HD2      LYS  30  -7.574  -3.885   4.244
  210    HD3  LYS  30           HD3      LYS  30  -8.112  -2.426   3.391
  211    HE2  LYS  30           HE2      LYS  30 -10.380  -2.695   4.250
  212    HE3  LYS  30           HE3      LYS  30  -9.884  -4.161   5.104
  213    HZ1  LYS  30           HZ1      LYS  30  -9.777  -2.297   6.620
  214    HZ2  LYS  30           HZ2      LYS  30  -8.226  -2.752   6.291
  215    HZ3  LYS  30           HZ3      LYS  30  -8.875  -1.410   5.600
  216    H    CYS  31           H        CYS  31  -4.781  -3.632   1.629
  217    HA   CYS  31           HA       CYS  31  -3.818  -4.213  -1.113
  218    HB2  CYS  31           HB2      CYS  31  -3.636  -1.715  -0.819
  219    HB3  CYS  31           HB3      CYS  31  -2.602  -2.028   0.574
  220    H    LYS  32           H        LYS  32  -2.000  -5.374  -1.267
  221    HA   LYS  32           HA       LYS  32  -0.604  -6.332   1.208
  222    HB2  LYS  32           HB2      LYS  32  -1.721  -8.073  -0.132
  223    HB3  LYS  32           HB3      LYS  32  -0.805  -7.588  -1.566
  224    HG2  LYS  32           HG2      LYS  32   1.310  -8.228  -0.496
  225    HG3  LYS  32           HG3      LYS  32   0.473  -8.590   1.005
  226    HD2  LYS  32           HD2      LYS  32   0.035 -10.097  -1.605
  227    HD3  LYS  32           HD3      LYS  32   1.056 -10.626  -0.253
  228    HE2  LYS  32           HE2      LYS  32  -1.069 -10.352   1.190
  229    HE3  LYS  32           HE3      LYS  32  -1.952 -10.274  -0.347
  230    HZ1  LYS  32           HZ1      LYS  32  -1.946 -12.523   0.440
  231    HZ2  LYS  32           HZ2      LYS  32  -0.930 -12.508  -0.853
  232    HZ3  LYS  32           HZ3      LYS  32  -0.342 -12.534   0.668
  233    H    CYS  33           H        CYS  33   1.518  -5.806   1.450
  234    HA   CYS  33           HA       CYS  33   2.735  -4.046  -0.644
  235    HB2  CYS  33           HB2      CYS  33   2.716  -3.985   2.304
  236    HB3  CYS  33           HB3      CYS  33   4.290  -3.691   1.574
  237    H    TYR  34           H        TYR  34   4.682  -4.422  -1.562
  238    HA   TYR  34           HA       TYR  34   5.727  -7.213  -1.286
  239    HB2  TYR  34           HB2      TYR  34   5.557  -5.406  -3.712
  240    HB3  TYR  34           HB3      TYR  34   6.211  -7.035  -3.697
  241    HD1  TYR  34           HD1      TYR  34   3.992  -8.327  -1.903
  242    HD2  TYR  34           HD2      TYR  34   3.949  -5.808  -5.427
  243    HE1  TYR  34           HE1      TYR  34   1.852  -9.317  -2.599
  244    HE2  TYR  34           HE2      TYR  34   1.820  -6.859  -6.128
  245    HH   TYR  34           HH       TYR  34   0.203  -8.482  -5.626
  246    H    TYR  35           H        TYR  35   7.793  -7.688  -1.858
  247    HA   TYR  35           HA       TYR  35  10.005  -7.609  -1.402
  248    HB2  TYR  35           HB2      TYR  35   9.908  -5.035  -2.971
  249    HB3  TYR  35           HB3      TYR  35  11.254  -6.163  -2.872
  250    HD1  TYR  35           HD2      TYR  35  10.772  -8.586  -3.833
  251    HD2  TYR  35           HD1      TYR  35   8.448  -5.076  -4.742
  252    HE1  TYR  35           HE2      TYR  35   9.895  -9.695  -5.891
  253    HE2  TYR  35           HE1      TYR  35   7.558  -6.196  -6.796
  254    HH   TYR  35           HH       TYR  35   7.594  -8.088  -8.114
  255    H    CYS  36           H        CYS  36   8.480  -6.489   0.745
  256    HA   CYS  36           HA       CYS  36  10.303  -4.428   1.920
  257    HB2  CYS  36           HB2      CYS  36   8.385  -3.442   0.669
  258    HB3  CYS  36           HB3      CYS  36   7.275  -4.326   1.704
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1   4.524  -6.319   5.541
    2    H2   ALA   1           H2       ALA   1   4.640  -6.066   7.170
    3    H3   ALA   1           H3       ALA   1   5.476  -5.110   6.104
    4    HA   ALA   1           HA       ALA   1   3.633  -3.923   6.980
    5    HB1  ALA   1           HB1      ALA   1   2.618  -3.225   4.850
    6    HB2  ALA   1           HB2      ALA   1   4.364  -3.447   4.683
    7    HB3  ALA   1           HB3      ALA   1   3.255  -4.673   4.044
    8    H    ALA   2           H        ALA   2   0.935  -3.991   5.696
    9    HA   ALA   2           HA       ALA   2  -0.268  -6.479   6.687
   10    HB1  ALA   2           HB1      ALA   2  -0.903  -3.684   7.780
   11    HB2  ALA   2           HB2      ALA   2  -1.786  -5.181   8.179
   12    HB3  ALA   2           HB3      ALA   2  -0.099  -4.976   8.687
   13    H    ALA   3           H        ALA   3  -2.729  -6.371   6.090
   14    HA   ALA   3           HA       ALA   3  -3.008  -4.982   3.509
   15    HB1  ALA   3           HB1      ALA   3  -3.988  -7.174   3.728
   16    HB2  ALA   3           HB2      ALA   3  -5.098  -6.536   4.979
   17    HB3  ALA   3           HB3      ALA   3  -5.164  -5.889   3.331
   18    H    ILE   4           H        ILE   4  -3.420  -2.999   3.352
   19    HA   ILE   4           HA       ILE   4  -4.725  -1.407   5.483
   20    HB   ILE   4           HB       ILE   4  -3.629   0.467   4.251
   21   HG12  ILE   4          HG12      ILE   4  -2.217  -1.623   2.551
   22   HG13  ILE   4          HG13      ILE   4  -3.693  -0.835   1.993
   23   HG21  ILE   4          HG21      ILE   4  -1.359  -0.083   4.958
   24   HG22  ILE   4          HG22      ILE   4  -2.506  -0.779   6.105
   25   HG23  ILE   4          HG23      ILE   4  -1.731  -1.827   4.905
   26   HD11  ILE   4          HD11      ILE   4  -1.251   0.704   2.806
   27   HD12  ILE   4          HD12      ILE   4  -1.613   0.172   1.161
   28   HD13  ILE   4          HD13      ILE   4  -2.708   1.328   1.964
   29    H    SER   5           H        SER   5  -5.945   0.490   4.780
   30    HA   SER   5           HA       SER   5  -8.037  -0.106   2.788
   31    HB2  SER   5           HB2      SER   5  -7.488   2.435   4.383
   32    HB3  SER   5           HB3      SER   5  -8.917   2.094   3.395
   33    HG   SER   5           HG       SER   5  -9.268   0.244   4.751
   34    H    CYS   6           H        CYS   6  -7.418  -0.006   0.683
   35    HA   CYS   6           HA       CYS   6  -5.309   1.575  -0.465
   36    HB2  CYS   6           HB2      CYS   6  -6.415  -0.415  -1.474
   37    HB3  CYS   6           HB3      CYS   6  -7.879   0.522  -1.694
   38    H    VAL   7           H        VAL   7  -8.797   2.170  -0.185
   39    HA   VAL   7           HA       VAL   7  -9.155   4.645  -1.378
   40    HB   VAL   7           HB       VAL   7 -11.079   4.863   0.259
   41   HG11  VAL   7          HG11      VAL   7 -12.309   2.960  -0.617
   42   HG12  VAL   7          HG12      VAL   7 -11.313   3.711  -1.880
   43   HG13  VAL   7          HG13      VAL   7 -10.795   2.184  -1.129
   44   HG21  VAL   7          HG21      VAL   7 -11.645   3.045   1.738
   45   HG22  VAL   7          HG22      VAL   7 -10.188   2.142   1.299
   46   HG23  VAL   7          HG23      VAL   7 -10.061   3.668   2.215
   47    H    GLY   8           H        GLY   8  -7.499   4.164   1.598
   48    HA2  GLY   8           HA2      GLY   8  -8.179   5.992   3.404
   49    HA3  GLY   8           HA3      GLY   8  -6.493   5.626   3.046
   50    H    SER   9           H        SER   9  -5.192   6.984   1.941
   51    HA   SER   9           HA       SER   9  -6.261   9.665   1.194
   52    HB2  SER   9           HB2      SER   9  -4.266   9.162   3.384
   53    HB3  SER   9           HB3      SER   9  -4.301  10.698   2.466
   54    HG   SER   9           HG       SER   9  -6.339   9.492   4.073
   55    HA   PRO  10           HA       PRO  10  -2.371   8.725  -1.385
   56    HB2  PRO  10           HB2      PRO  10  -0.405   7.098  -0.550
   57    HB3  PRO  10           HB3      PRO  10  -0.526   8.761   0.127
   58    HG2  PRO  10           HG2      PRO  10  -1.615   6.174   1.275
   59    HG3  PRO  10           HG3      PRO  10  -0.558   7.365   2.117
   60    HD2  PRO  10           HD2      PRO  10  -3.304   7.349   2.361
   61    HD3  PRO  10           HD3      PRO  10  -2.344   8.871   2.347
   62    H    GLU  11           H        GLU  11  -1.508   6.551  -2.629
   63    HA   GLU  11           HA       GLU  11  -3.746   4.688  -2.728
   64    HB2  GLU  11           HB2      GLU  11  -1.161   4.238  -4.217
   65    HB3  GLU  11           HB3      GLU  11  -2.772   3.651  -4.545
   66    HG2  GLU  11           HG2      GLU  11  -3.481   6.047  -4.977
   67    HG3  GLU  11           HG3      GLU  11  -1.777   6.505  -4.847
   68    H    CYS  12           H        CYS  12  -0.285   3.607  -2.419
   69    HA   CYS  12           HA       CYS  12  -1.231   1.750  -0.294
   70    HB2  CYS  12           HB2      CYS  12  -0.158   0.813  -2.956
   71    HB3  CYS  12           HB3      CYS  12  -0.403  -0.190  -1.532
   72    HA   PRO  13           HA       PRO  13   3.347   0.775  -0.136
   73    HB2  PRO  13           HB2      PRO  13   5.215   2.377  -1.484
   74    HB3  PRO  13           HB3      PRO  13   4.627   0.760  -1.958
   75    HG2  PRO  13           HG2      PRO  13   3.720   3.452  -2.957
   76    HG3  PRO  13           HG3      PRO  13   3.909   1.916  -3.855
   77    HD2  PRO  13           HD2      PRO  13   1.472   2.811  -3.046
   78    HD3  PRO  13           HD3      PRO  13   1.890   1.082  -3.084
   79    HA   PRO  14           HA       PRO  14   4.544   4.829   2.034
   80    HB2  PRO  14           HB2      PRO  14   3.134   7.113   1.823
   81    HB3  PRO  14           HB3      PRO  14   4.292   6.611   0.549
   82    HG2  PRO  14           HG2      PRO  14   1.304   6.142   0.593
   83    HG3  PRO  14           HG3      PRO  14   2.270   6.927  -0.704
   84    HD2  PRO  14           HD2      PRO  14   1.618   4.306  -0.778
   85    HD3  PRO  14           HD3      PRO  14   3.223   4.875  -1.350
   86    H    LYS  15           H        LYS  15   1.436   3.464   1.868
   87    HA   LYS  15           HA       LYS  15   0.659   4.291   4.646
   88    HB2  LYS  15           HB2      LYS  15  -0.909   4.709   2.774
   89    HB3  LYS  15           HB3      LYS  15  -1.002   2.981   2.459
   90    HG2  LYS  15           HG2      LYS  15  -1.853   2.713   4.869
   91    HG3  LYS  15           HG3      LYS  15  -1.868   4.471   4.975
   92    HD2  LYS  15           HD2      LYS  15  -3.659   2.641   3.359
   93    HD3  LYS  15           HD3      LYS  15  -4.083   3.821   4.560
   94    HE2  LYS  15           HE2      LYS  15  -4.507   5.305   3.001
   95    HE3  LYS  15           HE3      LYS  15  -2.816   5.342   2.558
   96    HZ1  LYS  15           HZ1      LYS  15  -4.841   3.493   1.405
   97    HZ2  LYS  15           HZ2      LYS  15  -4.258   4.813   0.630
   98    HZ3  LYS  15           HZ3      LYS  15  -3.282   3.580   0.889
   99    H    CYS  16           H        CYS  16   1.550   1.505   2.663
  100    HA   CYS  16           HA       CYS  16   1.018  -0.579   4.494
  101    HB2  CYS  16           HB2      CYS  16   3.188  -0.140   2.424
  102    HB3  CYS  16           HB3      CYS  16   3.003  -1.652   3.305
  103    H    ARG  17           H        ARG  17   3.699   1.777   4.552
  104    HA   ARG  17           HA       ARG  17   4.284   1.130   7.328
  105    HB2  ARG  17           HB2      ARG  17   6.629   0.706   7.059
  106    HB3  ARG  17           HB3      ARG  17   5.736  -0.461   6.083
  107    HG2  ARG  17           HG2      ARG  17   6.169   1.016   4.051
  108    HG3  ARG  17           HG3      ARG  17   7.214   2.014   5.073
  109    HD2  ARG  17           HD2      ARG  17   7.579  -0.953   4.608
  110    HD3  ARG  17           HD3      ARG  17   8.450   0.314   3.724
  111    HE   ARG  17           HE       ARG  17   8.634   0.348   6.680
  112   HH11  ARG  17          HH11      ARG  17  10.323  -0.603   3.735
  113   HH12  ARG  17          HH12      ARG  17  11.776  -0.939   4.651
  114   HH21  ARG  17          HH21      ARG  17  10.404  -0.073   7.665
  115   HH22  ARG  17          HH22      ARG  17  11.921  -0.275   6.794
  116    H    ALA  18           H        ALA  18   6.132   2.649   8.107
  117    HA   ALA  18           HA       ALA  18   5.260   5.318   7.821
  118    HB1  ALA  18           HB1      ALA  18   7.799   4.117   9.001
  119    HB2  ALA  18           HB2      ALA  18   7.221   5.767   9.289
  120    HB3  ALA  18           HB3      ALA  18   6.255   4.384   9.833
  121    H    GLN  19           H        GLN  19   8.137   3.774   6.435
  122    HA   GLN  19           HA       GLN  19   8.947   6.257   5.030
  123    HB2  GLN  19           HB2      GLN  19  11.174   5.368   5.100
  124    HB3  GLN  19           HB3      GLN  19  10.465   5.488   6.699
  125    HG2  GLN  19           HG2      GLN  19  10.377   2.863   5.153
  126    HG3  GLN  19           HG3      GLN  19  11.801   3.393   6.024
  127   HE21  GLN  19          HE22      GLN  19  11.784   3.385   8.387
  128   HE22  GLN  19          HE21      GLN  19  10.429   2.660   9.256
  129    H    GLY  20           H        GLY  20   7.172   3.884   4.086
  130    HA2  GLY  20           HA2      GLY  20   6.376   3.544   1.938
  131    HA3  GLY  20           HA3      GLY  20   7.855   4.190   1.244
  132    H    CYS  21           H        CYS  21   6.012   1.559   1.236
  133    HA   CYS  21           HA       CYS  21   8.021  -0.566   1.367
  134    HB2  CYS  21           HB2      CYS  21   5.128  -0.443   0.543
  135    HB3  CYS  21           HB3      CYS  21   6.092  -1.868   0.226
  136    H    LYS  22           H        LYS  22   8.310  -2.065  -0.457
  137    HA   LYS  22           HA       LYS  22   9.654  -0.763  -2.619
  138    HB2  LYS  22           HB2      LYS  22   8.910  -3.657  -2.039
  139    HB3  LYS  22           HB3      LYS  22   9.980  -3.173  -3.370
  140    HG2  LYS  22           HG2      LYS  22  11.763  -2.873  -2.022
  141    HG3  LYS  22           HG3      LYS  22  10.844  -1.979  -0.814
  142    HD2  LYS  22           HD2      LYS  22   9.936  -4.049   0.120
  143    HD3  LYS  22           HD3      LYS  22  10.797  -5.002  -1.113
  144    HE2  LYS  22           HE2      LYS  22  12.945  -4.393  -0.225
  145    HE3  LYS  22           HE3      LYS  22  12.237  -3.181   0.852
  146    HZ1  LYS  22           HZ1      LYS  22  11.219  -4.905   2.143
  147    HZ2  LYS  22           HZ2      LYS  22  11.510  -6.049   1.061
  148    HZ3  LYS  22           HZ3      LYS  22  12.773  -5.400   1.917
  149    H    ASN  23           H        ASN  23   6.762  -2.877  -2.801
  150    HA   ASN  23           HA       ASN  23   5.596  -1.063  -4.826
  151    HB2  ASN  23           HB2      ASN  23   6.908  -3.220  -5.828
  152    HB3  ASN  23           HB3      ASN  23   5.393  -4.002  -5.431
  153   HD21  ASN  23          HD22      ASN  23   6.860  -3.048  -8.041
  154   HD22  ASN  23          HD21      ASN  23   5.515  -2.313  -8.907
  155    H    GLY  24           H        GLY  24   3.223  -1.891  -5.314
  156    HA2  GLY  24           HA2      GLY  24   1.971  -3.497  -3.246
  157    HA3  GLY  24           HA3      GLY  24   1.521  -1.790  -3.141
  158    H    LYS  25           H        LYS  25  -0.331  -3.861  -3.585
  159    HA   LYS  25           HA       LYS  25  -1.413  -3.050  -6.226
  160    HB2  LYS  25           HB2      LYS  25  -0.144  -5.263  -6.378
  161    HB3  LYS  25           HB3      LYS  25  -1.335  -5.949  -5.275
  162    HG2  LYS  25           HG2      LYS  25  -1.964  -6.572  -7.486
  163    HG3  LYS  25           HG3      LYS  25  -3.124  -5.330  -6.992
  164    HD2  LYS  25           HD2      LYS  25  -1.715  -3.619  -8.238
  165    HD3  LYS  25           HD3      LYS  25  -0.667  -4.948  -8.742
  166    HE2  LYS  25           HE2      LYS  25  -2.656  -6.006  -9.880
  167    HE3  LYS  25           HE3      LYS  25  -3.617  -4.586  -9.411
  168    HZ1  LYS  25           HZ1      LYS  25  -1.212  -4.566 -11.129
  169    HZ2  LYS  25           HZ2      LYS  25  -2.734  -4.296 -11.660
  170    HZ3  LYS  25           HZ3      LYS  25  -2.023  -3.212 -10.661
  171    H    CYS  26           H        CYS  26  -3.466  -2.546  -6.211
  172    HA   CYS  26           HA       CYS  26  -4.958  -2.726  -3.689
  173    HB2  CYS  26           HB2      CYS  26  -4.480  -0.585  -4.767
  174    HB3  CYS  26           HB3      CYS  26  -5.328  -1.095  -6.205
  175    H    MET  27           H        MET  27  -6.731  -3.780  -3.317
  176    HA   MET  27           HA       MET  27  -7.983  -5.557  -5.320
  177    HB2  MET  27           HB2      MET  27  -8.255  -5.368  -2.287
  178    HB3  MET  27           HB3      MET  27  -9.076  -6.546  -3.314
  179    HG2  MET  27           HG2      MET  27  -7.288  -7.749  -2.531
  180    HG3  MET  27           HG3      MET  27  -6.770  -7.257  -4.136
  181    HE1  MET  27           HE1      MET  27  -3.300  -7.210  -2.614
  182    HE2  MET  27           HE2      MET  27  -4.570  -8.447  -2.463
  183    HE3  MET  27           HE3      MET  27  -4.325  -7.594  -4.006
  184    H    ASN  28           H        ASN  28 -10.616  -5.484  -3.732
  185    HA   ASN  28           HA       ASN  28 -11.901  -3.461  -5.314
  186    HB2  ASN  28           HB2      ASN  28 -13.053  -5.519  -4.719
  187    HB3  ASN  28           HB3      ASN  28 -12.905  -5.148  -2.998
  188   HD21  ASN  28          HD22      ASN  28 -14.436  -3.965  -6.050
  189   HD22  ASN  28          HD21      ASN  28 -15.825  -3.317  -5.150
  190    H    ARG  29           H        ARG  29 -10.941  -3.500  -1.938
  191    HA   ARG  29           HA       ARG  29 -10.473  -0.594  -2.094
  192    HB2  ARG  29           HB2      ARG  29 -11.572  -0.061   0.042
  193    HB3  ARG  29           HB3      ARG  29 -12.691  -0.502  -1.211
  194    HG2  ARG  29           HG2      ARG  29 -12.994  -2.755  -0.231
  195    HG3  ARG  29           HG3      ARG  29 -11.713  -2.416   0.952
  196    HD2  ARG  29           HD2      ARG  29 -13.070  -0.486   1.804
  197    HD3  ARG  29           HD3      ARG  29 -14.392  -1.000   0.746
  198    HE   ARG  29           HE       ARG  29 -13.210  -2.561   3.027
  199   HH11  ARG  29          HH11      ARG  29 -16.040  -2.216   0.898
  200   HH12  ARG  29          HH12      ARG  29 -17.005  -3.131   2.052
  201   HH21  ARG  29          HH21      ARG  29 -14.507  -3.800   4.212
  202   HH22  ARG  29          HH22      ARG  29 -16.219  -3.948   3.787
  203    H    LYS  30           H        LYS  30  -9.530  -3.645  -0.935
  204    HA   LYS  30           HA       LYS  30  -7.770  -2.549   1.177
  205    HB2  LYS  30           HB2      LYS  30  -8.259  -5.387   0.205
  206    HB3  LYS  30           HB3      LYS  30  -7.060  -4.943   1.442
  207    HG2  LYS  30           HG2      LYS  30  -8.842  -3.894   2.813
  208    HG3  LYS  30           HG3      LYS  30 -10.055  -4.401   1.633
  209    HD2  LYS  30           HD2      LYS  30  -9.532  -6.767   2.051
  210    HD3  LYS  30           HD3      LYS  30  -8.231  -6.290   3.178
  211    HE2  LYS  30           HE2      LYS  30  -9.853  -5.124   4.599
  212    HE3  LYS  30           HE3      LYS  30 -11.171  -5.543   3.490
  213    HZ1  LYS  30           HZ1      LYS  30  -9.550  -7.503   5.026
  214    HZ2  LYS  30           HZ2      LYS  30 -11.128  -7.073   5.329
  215    HZ3  LYS  30           HZ3      LYS  30 -10.740  -7.899   3.987
  216    H    CYS  31           H        CYS  31  -5.424  -3.163   1.145
  217    HA   CYS  31           HA       CYS  31  -4.316  -3.606  -1.566
  218    HB2  CYS  31           HB2      CYS  31  -4.443  -1.033  -0.810
  219    HB3  CYS  31           HB3      CYS  31  -2.965  -1.466   0.034
  220    H    LYS  32           H        LYS  32  -2.386  -4.671  -1.639
  221    HA   LYS  32           HA       LYS  32  -1.007  -5.292   0.952
  222    HB2  LYS  32           HB2      LYS  32  -2.268  -7.251   0.112
  223    HB3  LYS  32           HB3      LYS  32  -1.369  -7.159  -1.417
  224    HG2  LYS  32           HG2      LYS  32   0.741  -7.642  -0.250
  225    HG3  LYS  32           HG3      LYS  32  -0.074  -7.565   1.315
  226    HD2  LYS  32           HD2      LYS  32   0.352  -9.870   0.668
  227    HD3  LYS  32           HD3      LYS  32  -1.387  -9.572   0.757
  228    HE2  LYS  32           HE2      LYS  32  -1.541  -9.420  -1.679
  229    HE3  LYS  32           HE3      LYS  32   0.224  -9.504  -1.836
  230    HZ1  LYS  32           HZ1      LYS  32  -1.430 -11.698  -0.710
  231    HZ2  LYS  32           HZ2      LYS  32  -0.882 -11.635  -2.262
  232    HZ3  LYS  32           HZ3      LYS  32   0.192 -11.743  -1.056
  233    H    CYS  33           H        CYS  33   1.134  -5.105   1.020
  234    HA   CYS  33           HA       CYS  33   2.659  -4.325  -1.423
  235    HB2  CYS  33           HB2      CYS  33   3.084  -3.762   1.525
  236    HB3  CYS  33           HB3      CYS  33   4.289  -3.472   0.276
  237    H    TYR  34           H        TYR  34   3.533  -6.046  -2.330
  238    HA   TYR  34           HA       TYR  34   3.617  -8.585  -1.270
  239    HB2  TYR  34           HB2      TYR  34   5.291  -7.530  -3.566
  240    HB3  TYR  34           HB3      TYR  34   4.954  -9.211  -3.231
  241    HD1  TYR  34           HD2      TYR  34   2.552 -10.074  -3.407
  242    HD2  TYR  34           HD1      TYR  34   3.792  -6.217  -4.916
  243    HE1  TYR  34           HE2      TYR  34   0.660 -10.082  -5.028
  244    HE2  TYR  34           HE1      TYR  34   1.918  -6.242  -6.519
  245    HH   TYR  34           HH       TYR  34  -0.354  -9.023  -6.769
  246    H    TYR  35           H        TYR  35   6.707  -6.895  -2.052
  247    HA   TYR  35           HA       TYR  35   8.174  -8.847  -0.420
  248    HB2  TYR  35           HB2      TYR  35   9.098  -6.705  -2.351
  249    HB3  TYR  35           HB3      TYR  35  10.135  -7.917  -1.616
  250    HD1  TYR  35           HD1      TYR  35   9.263 -10.454  -1.872
  251    HD2  TYR  35           HD2      TYR  35   8.299  -7.179  -4.491
  252    HE1  TYR  35           HE1      TYR  35   8.602 -12.071  -3.635
  253    HE2  TYR  35           HE2      TYR  35   7.598  -8.779  -6.258
  254    HH   TYR  35           HH       TYR  35   7.993 -12.339  -5.806
  255    H    CYS  36           H        CYS  36   6.665  -6.816   1.028
  256    HA   CYS  36           HA       CYS  36   8.836  -5.251   2.336
  257    HB2  CYS  36           HB2      CYS  36   7.251  -4.066   0.935
  258    HB3  CYS  36           HB3      CYS  36   5.903  -4.640   1.945
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1   0.243  -5.241   9.086
    2    H2   ALA   1           H2       ALA   1  -1.067  -4.264   9.311
    3    H3   ALA   1           H3       ALA   1   0.431  -3.768   9.796
    4    HA   ALA   1           HA       ALA   1  -0.242  -2.655   7.809
    5    HB1  ALA   1           HB1      ALA   1   2.077  -4.583   7.361
    6    HB2  ALA   1           HB2      ALA   1   1.784  -3.074   6.478
    7    HB3  ALA   1           HB3      ALA   1   2.167  -3.021   8.204
    8    H    ALA   2           H        ALA   2  -0.615  -2.758   5.530
    9    HA   ALA   2           HA       ALA   2  -1.530  -3.361   3.614
   10    HB1  ALA   2           HB1      ALA   2   0.225  -5.073   3.523
   11    HB2  ALA   2           HB2      ALA   2  -0.875  -6.244   4.287
   12    HB3  ALA   2           HB3      ALA   2  -1.254  -5.576   2.690
   13    H    ALA   3           H        ALA   3  -2.803  -4.933   6.409
   14    HA   ALA   3           HA       ALA   3  -5.504  -5.351   5.415
   15    HB1  ALA   3           HB1      ALA   3  -4.221  -5.260   8.165
   16    HB2  ALA   3           HB2      ALA   3  -5.868  -5.831   7.814
   17    HB3  ALA   3           HB3      ALA   3  -4.467  -6.715   7.166
   18    H    ILE   4           H        ILE   4  -5.362  -3.055   4.460
   19    HA   ILE   4           HA       ILE   4  -6.411  -0.987   6.335
   20    HB   ILE   4           HB       ILE   4  -5.047   0.659   5.041
   21   HG12  ILE   4          HG12      ILE   4  -3.439  -1.704   3.999
   22   HG13  ILE   4          HG13      ILE   4  -4.699  -0.945   3.024
   23   HG21  ILE   4          HG21      ILE   4  -3.005   0.282   6.276
   24   HG22  ILE   4          HG22      ILE   4  -4.347  -0.306   7.259
   25   HG23  ILE   4          HG23      ILE   4  -3.325  -1.463   6.379
   26   HD11  ILE   4          HD11      ILE   4  -3.544   1.158   3.013
   27   HD12  ILE   4          HD12      ILE   4  -2.312   0.522   4.153
   28   HD13  ILE   4          HD13      ILE   4  -2.434  -0.130   2.512
   29    H    SER   5           H        SER   5  -7.481   0.779   5.237
   30    HA   SER   5           HA       SER   5  -9.127  -0.095   2.967
   31    HB2  SER   5           HB2      SER   5  -9.018   2.513   4.514
   32    HB3  SER   5           HB3      SER   5 -10.157   2.153   3.200
   33    HG   SER   5           HG       SER   5 -11.056   1.653   5.261
   34    H    CYS   6           H        CYS   6  -8.531   0.055   0.944
   35    HA   CYS   6           HA       CYS   6  -6.200   1.465  -0.001
   36    HB2  CYS   6           HB2      CYS   6  -7.084  -0.484  -1.102
   37    HB3  CYS   6           HB3      CYS   6  -8.623   0.341  -1.417
   38    H    VAL   7           H        VAL   7  -9.651   2.524   0.171
   39    HA   VAL   7           HA       VAL   7  -9.385   4.766  -1.541
   40    HB   VAL   7           HB       VAL   7 -11.277   5.790  -0.383
   41   HG11  VAL   7          HG11      VAL   7 -11.654   2.823  -0.920
   42   HG12  VAL   7          HG12      VAL   7 -12.910   4.074  -0.942
   43   HG13  VAL   7          HG13      VAL   7 -11.607   4.108  -2.142
   44   HG21  VAL   7          HG21      VAL   7 -10.978   5.204   1.961
   45   HG22  VAL   7          HG22      VAL   7 -12.507   4.562   1.382
   46   HG23  VAL   7          HG23      VAL   7 -11.130   3.472   1.586
   47    H    GLY   8           H        GLY   8  -8.687   4.516   1.853
   48    HA2  GLY   8           HA2      GLY   8  -7.925   6.201   3.392
   49    HA3  GLY   8           HA3      GLY   8  -6.573   5.582   2.468
   50    H    SER   9           H        SER   9  -5.211   6.937   1.748
   51    HA   SER   9           HA       SER   9  -6.122   9.517   0.559
   52    HB2  SER   9           HB2      SER   9  -5.399  10.258   2.664
   53    HB3  SER   9           HB3      SER   9  -4.013   9.171   2.684
   54    HG   SER   9           HG       SER   9  -4.437  11.471   1.079
   55    HA   PRO  10           HA       PRO  10  -2.807   7.338  -1.998
   56    HB2  PRO  10           HB2      PRO  10  -0.855   5.836  -0.992
   57    HB3  PRO  10           HB3      PRO  10  -0.778   7.618  -0.748
   58    HG2  PRO  10           HG2      PRO  10  -1.844   5.496   1.141
   59    HG3  PRO  10           HG3      PRO  10  -0.641   6.766   1.535
   60    HD2  PRO  10           HD2      PRO  10  -3.332   7.018   2.040
   61    HD3  PRO  10           HD3      PRO  10  -2.301   8.412   1.579
   62    H    GLU  11           H        GLU  11  -2.395   4.951  -2.787
   63    HA   GLU  11           HA       GLU  11  -4.681   3.293  -2.015
   64    HB2  GLU  11           HB2      GLU  11  -2.460   2.785  -4.026
   65    HB3  GLU  11           HB3      GLU  11  -3.824   1.716  -3.708
   66    HG2  GLU  11           HG2      GLU  11  -5.403   3.561  -4.296
   67    HG3  GLU  11           HG3      GLU  11  -4.021   4.581  -4.706
   68    H    CYS  12           H        CYS  12  -1.227   2.296  -2.257
   69    HA   CYS  12           HA       CYS  12  -1.730   0.506   0.088
   70    HB2  CYS  12           HB2      CYS  12  -2.380  -0.746  -1.817
   71    HB3  CYS  12           HB3      CYS  12  -0.949  -0.361  -2.699
   72    HA   PRO  13           HA       PRO  13   2.831  -0.077  -0.065
   73    HB2  PRO  13           HB2      PRO  13   4.542   1.283  -1.794
   74    HB3  PRO  13           HB3      PRO  13   3.850  -0.338  -2.021
   75    HG2  PRO  13           HG2      PRO  13   2.908   2.274  -3.195
   76    HG3  PRO  13           HG3      PRO  13   2.981   0.659  -3.953
   77    HD2  PRO  13           HD2      PRO  13   0.644   1.680  -2.966
   78    HD3  PRO  13           HD3      PRO  13   1.048  -0.049  -2.928
   79    HA   PRO  14           HA       PRO  14   4.314   4.176   1.343
   80    HB2  PRO  14           HB2      PRO  14   2.941   6.472   1.040
   81    HB3  PRO  14           HB3      PRO  14   3.912   5.789  -0.306
   82    HG2  PRO  14           HG2      PRO  14   0.955   5.417   0.228
   83    HG3  PRO  14           HG3      PRO  14   1.709   5.991  -1.298
   84    HD2  PRO  14           HD2      PRO  14   0.983   3.392  -0.910
   85    HD3  PRO  14           HD3      PRO  14   2.485   3.833  -1.810
   86    H    LYS  15           H        LYS  15   1.123   2.984   1.677
   87    HA   LYS  15           HA       LYS  15   0.768   4.052   4.432
   88    HB2  LYS  15           HB2      LYS  15  -1.063   4.007   2.529
   89    HB3  LYS  15           HB3      LYS  15  -1.262   2.329   2.997
   90    HG2  LYS  15           HG2      LYS  15  -1.609   3.176   5.392
   91    HG3  LYS  15           HG3      LYS  15  -1.511   4.809   4.754
   92    HD2  LYS  15           HD2      LYS  15  -3.737   2.785   4.413
   93    HD3  LYS  15           HD3      LYS  15  -3.756   4.354   5.156
   94    HE2  LYS  15           HE2      LYS  15  -4.661   5.123   3.320
   95    HE3  LYS  15           HE3      LYS  15  -3.043   5.092   2.631
   96    HZ1  LYS  15           HZ1      LYS  15  -4.571   4.006   1.146
   97    HZ2  LYS  15           HZ2      LYS  15  -3.627   2.837   1.710
   98    HZ3  LYS  15           HZ3      LYS  15  -5.164   3.027   2.322
   99    H    CYS  16           H        CYS  16   2.629   1.766   3.291
  100    HA   CYS  16           HA       CYS  16   1.678  -0.485   4.989
  101    HB2  CYS  16           HB2      CYS  16   1.915  -0.574   2.455
  102    HB3  CYS  16           HB3      CYS  16   3.662  -0.638   2.716
  103    H    ARG  17           H        ARG  17   4.416   1.715   4.843
  104    HA   ARG  17           HA       ARG  17   5.392   0.678   7.325
  105    HB2  ARG  17           HB2      ARG  17   7.642   0.116   6.642
  106    HB3  ARG  17           HB3      ARG  17   6.468  -0.914   5.810
  107    HG2  ARG  17           HG2      ARG  17   6.684   0.505   3.773
  108    HG3  ARG  17           HG3      ARG  17   7.912   1.476   4.606
  109    HD2  ARG  17           HD2      ARG  17   8.087  -1.495   3.973
  110    HD3  ARG  17           HD3      ARG  17   8.906  -0.138   3.153
  111    HE   ARG  17           HE       ARG  17   9.699   0.252   5.678
  112   HH11  ARG  17          HH11      ARG  17   9.845  -2.941   4.102
  113   HH12  ARG  17          HH12      ARG  17  11.298  -3.292   4.981
  114   HH21  ARG  17          HH21      ARG  17  11.544  -0.311   6.588
  115   HH22  ARG  17          HH22      ARG  17  12.329  -1.816   6.211
  116    H    ALA  18           H        ALA  18   7.270   1.869   8.104
  117    HA   ALA  18           HA       ALA  18   6.484   4.527   8.444
  118    HB1  ALA  18           HB1      ALA  18   9.142   3.146   9.038
  119    HB2  ALA  18           HB2      ALA  18   8.584   4.660   9.786
  120    HB3  ALA  18           HB3      ALA  18   7.706   3.143  10.074
  121    H    GLN  19           H        GLN  19   9.258   3.365   6.566
  122    HA   GLN  19           HA       GLN  19   9.986   6.086   5.644
  123    HB2  GLN  19           HB2      GLN  19  12.062   5.161   4.997
  124    HB3  GLN  19           HB3      GLN  19  11.716   4.743   6.665
  125    HG2  GLN  19           HG2      GLN  19  11.153   2.809   4.368
  126    HG3  GLN  19           HG3      GLN  19  12.726   2.997   5.101
  127   HE21  GLN  19          HE22      GLN  19  13.135   1.933   7.163
  128   HE22  GLN  19          HE21      GLN  19  11.819   1.207   8.081
  129    H    GLY  20           H        GLY  20   7.845   3.949   4.610
  130    HA2  GLY  20           HA2      GLY  20   6.690   3.649   2.691
  131    HA3  GLY  20           HA3      GLY  20   7.827   4.662   1.768
  132    H    CYS  21           H        CYS  21   6.631   2.432   0.777
  133    HA   CYS  21           HA       CYS  21   8.424   0.084   1.118
  134    HB2  CYS  21           HB2      CYS  21   5.795   0.339   1.491
  135    HB3  CYS  21           HB3      CYS  21   5.769  -0.127  -0.200
  136    H    LYS  22           H        LYS  22   9.063  -1.108  -0.602
  137    HA   LYS  22           HA       LYS  22   9.962   0.308  -2.939
  138    HB2  LYS  22           HB2      LYS  22   9.949  -2.707  -2.480
  139    HB3  LYS  22           HB3      LYS  22  10.815  -1.829  -3.748
  140    HG2  LYS  22           HG2      LYS  22  11.929  -0.473  -1.878
  141    HG3  LYS  22           HG3      LYS  22  11.288  -1.658  -0.751
  142    HD2  LYS  22           HD2      LYS  22  13.099  -2.301  -3.104
  143    HD3  LYS  22           HD3      LYS  22  13.677  -1.981  -1.471
  144    HE2  LYS  22           HE2      LYS  22  11.735  -4.245  -2.073
  145    HE3  LYS  22           HE3      LYS  22  13.484  -4.417  -2.222
  146    HZ1  LYS  22           HZ1      LYS  22  12.113  -3.653   0.296
  147    HZ2  LYS  22           HZ2      LYS  22  12.738  -5.127  -0.050
  148    HZ3  LYS  22           HZ3      LYS  22  13.729  -3.826   0.096
  149    H    ASN  23           H        ASN  23   7.471  -2.307  -2.769
  150    HA   ASN  23           HA       ASN  23   5.828  -0.747  -4.527
  151    HB2  ASN  23           HB2      ASN  23   7.527  -2.181  -6.022
  152    HB3  ASN  23           HB3      ASN  23   6.373  -3.471  -5.719
  153   HD21  ASN  23          HD22      ASN  23   6.886  -2.580  -8.285
  154   HD22  ASN  23          HD21      ASN  23   5.450  -1.749  -8.880
  155    H    GLY  24           H        GLY  24   3.741  -1.657  -4.912
  156    HA2  GLY  24           HA2      GLY  24   2.660  -3.958  -3.585
  157    HA3  GLY  24           HA3      GLY  24   2.281  -2.497  -2.638
  158    H    LYS  25           H        LYS  25   0.270  -3.992  -3.727
  159    HA   LYS  25           HA       LYS  25  -0.892  -2.048  -5.650
  160    HB2  LYS  25           HB2      LYS  25  -0.716  -5.058  -5.994
  161    HB3  LYS  25           HB3      LYS  25  -1.961  -4.131  -6.794
  162    HG2  LYS  25           HG2      LYS  25   1.004  -3.739  -7.193
  163    HG3  LYS  25           HG3      LYS  25  -0.101  -4.564  -8.286
  164    HD2  LYS  25           HD2      LYS  25  -0.053  -1.632  -7.583
  165    HD3  LYS  25           HD3      LYS  25   0.405  -2.357  -9.122
  166    HE2  LYS  25           HE2      LYS  25  -2.003  -3.020  -9.463
  167    HE3  LYS  25           HE3      LYS  25  -2.395  -2.224  -7.929
  168    HZ1  LYS  25           HZ1      LYS  25  -2.793  -0.571  -9.482
  169    HZ2  LYS  25           HZ2      LYS  25  -1.296  -0.193  -8.987
  170    HZ3  LYS  25           HZ3      LYS  25  -1.492  -0.958 -10.436
  171    H    CYS  26           H        CYS  26  -3.014  -1.737  -5.609
  172    HA   CYS  26           HA       CYS  26  -4.482  -2.716  -3.233
  173    HB2  CYS  26           HB2      CYS  26  -4.526  -0.418  -3.333
  174    HB3  CYS  26           HB3      CYS  26  -4.738  -0.365  -5.083
  175    H    MET  27           H        MET  27  -6.089  -4.043  -3.275
  176    HA   MET  27           HA       MET  27  -7.320  -4.952  -5.850
  177    HB2  MET  27           HB2      MET  27  -6.762  -6.521  -3.293
  178    HB3  MET  27           HB3      MET  27  -7.740  -7.082  -4.646
  179    HG2  MET  27           HG2      MET  27  -5.736  -8.082  -5.121
  180    HG3  MET  27           HG3      MET  27  -5.627  -6.626  -6.102
  181    HE1  MET  27           HE1      MET  27  -3.069  -6.820  -6.466
  182    HE2  MET  27           HE2      MET  27  -1.900  -7.179  -5.177
  183    HE3  MET  27           HE3      MET  27  -3.129  -8.384  -5.622
  184    H    ASN  28           H        ASN  28  -9.140  -3.812  -5.952
  185    HA   ASN  28           HA       ASN  28 -11.085  -2.886  -5.621
  186    HB2  ASN  28           HB2      ASN  28 -11.610  -5.324  -5.364
  187    HB3  ASN  28           HB3      ASN  28 -11.717  -5.081  -3.625
  188   HD21  ASN  28          HD22      ASN  28 -13.922  -6.096  -4.649
  189   HD22  ASN  28          HD21      ASN  28 -15.131  -4.894  -5.075
  190    H    ARG  29           H        ARG  29 -10.573  -3.794  -2.189
  191    HA   ARG  29           HA       ARG  29 -10.598  -0.882  -1.481
  192    HB2  ARG  29           HB2      ARG  29 -11.906  -3.107   0.103
  193    HB3  ARG  29           HB3      ARG  29 -12.057  -1.390   0.417
  194    HG2  ARG  29           HG2      ARG  29 -13.101  -2.692  -2.118
  195    HG3  ARG  29           HG3      ARG  29 -13.970  -2.662  -0.597
  196    HD2  ARG  29           HD2      ARG  29 -14.855  -0.912  -1.910
  197    HD3  ARG  29           HD3      ARG  29 -13.934  -0.169  -0.602
  198    HE   ARG  29           HE       ARG  29 -12.191  -0.285  -2.808
  199   HH11  ARG  29          HH21      ARG  29 -15.412   1.155  -2.405
  200   HH12  ARG  29          HH22      ARG  29 -15.054   2.344  -3.649
  201   HH21  ARG  29          HH11      ARG  29 -11.817   1.563  -4.095
  202   HH22  ARG  29          HH12      ARG  29 -13.226   2.523  -4.538
  203    H    LYS  30           H        LYS  30  -8.687  -3.551  -1.424
  204    HA   LYS  30           HA       LYS  30  -7.442  -2.927   1.240
  205    HB2  LYS  30           HB2      LYS  30  -7.990  -5.657   0.023
  206    HB3  LYS  30           HB3      LYS  30  -7.181  -5.351   1.557
  207    HG2  LYS  30           HG2      LYS  30 -10.113  -4.650   0.982
  208    HG3  LYS  30           HG3      LYS  30  -9.528  -6.103   1.780
  209    HD2  LYS  30           HD2      LYS  30  -8.369  -4.472   3.481
  210    HD3  LYS  30           HD3      LYS  30  -9.481  -3.258   2.812
  211    HE2  LYS  30           HE2      LYS  30 -11.371  -4.928   3.262
  212    HE3  LYS  30           HE3      LYS  30 -10.178  -5.938   4.093
  213    HZ1  LYS  30           HZ1      LYS  30  -9.782  -3.945   5.568
  214    HZ2  LYS  30           HZ2      LYS  30 -11.093  -3.234   4.909
  215    HZ3  LYS  30           HZ3      LYS  30 -11.221  -4.653   5.755
  216    H    CYS  31           H        CYS  31  -5.197  -4.053   1.428
  217    HA   CYS  31           HA       CYS  31  -3.675  -3.445  -1.091
  218    HB2  CYS  31           HB2      CYS  31  -3.528  -1.611   0.359
  219    HB3  CYS  31           HB3      CYS  31  -3.399  -2.623   1.777
  220    H    LYS  32           H        LYS  32  -1.737  -4.468  -1.504
  221    HA   LYS  32           HA       LYS  32  -0.677  -6.500   0.369
  222    HB2  LYS  32           HB2      LYS  32  -2.069  -7.772  -1.192
  223    HB3  LYS  32           HB3      LYS  32  -1.212  -7.081  -2.577
  224    HG2  LYS  32           HG2      LYS  32   0.862  -8.152  -1.945
  225    HG3  LYS  32           HG3      LYS  32   0.220  -8.633  -0.373
  226    HD2  LYS  32           HD2      LYS  32  -0.791  -9.712  -3.042
  227    HD3  LYS  32           HD3      LYS  32   0.403 -10.505  -1.994
  228    HE2  LYS  32           HE2      LYS  32  -1.293 -10.435  -0.122
  229    HE3  LYS  32           HE3      LYS  32  -2.488  -9.849  -1.284
  230    HZ1  LYS  32           HZ1      LYS  32  -2.056 -11.897  -2.572
  231    HZ2  LYS  32           HZ2      LYS  32  -1.104 -12.461  -1.312
  232    HZ3  LYS  32           HZ3      LYS  32  -2.721 -12.171  -1.115
  233    H    CYS  33           H        CYS  33   1.409  -6.217   0.649
  234    HA   CYS  33           HA       CYS  33   2.906  -4.311  -1.090
  235    HB2  CYS  33           HB2      CYS  33   3.451  -5.178   1.757
  236    HB3  CYS  33           HB3      CYS  33   4.227  -3.855   0.879
  237    H    TYR  34           H        TYR  34   4.127  -5.289  -2.569
  238    HA   TYR  34           HA       TYR  34   4.478  -8.111  -2.502
  239    HB2  TYR  34           HB2      TYR  34   5.615  -6.046  -4.407
  240    HB3  TYR  34           HB3      TYR  34   5.631  -7.785  -4.666
  241    HD1  TYR  34           HD1      TYR  34   2.754  -8.433  -3.716
  242    HD2  TYR  34           HD2      TYR  34   4.406  -5.435  -6.356
  243    HE1  TYR  34           HE1      TYR  34   0.680  -8.476  -5.079
  244    HE2  TYR  34           HE2      TYR  34   2.322  -5.533  -7.731
  245    HH   TYR  34           HH       TYR  34   0.483  -6.798  -8.203
  246    H    TYR  35           H        TYR  35   7.064  -5.623  -2.486
  247    HA   TYR  35           HA       TYR  35   9.027  -7.803  -1.838
  248    HB2  TYR  35           HB2      TYR  35   9.683  -5.206  -3.205
  249    HB3  TYR  35           HB3      TYR  35  10.571  -6.717  -3.242
  250    HD1  TYR  35           HD2      TYR  35   8.676  -8.737  -4.194
  251    HD2  TYR  35           HD1      TYR  35   9.106  -4.593  -5.347
  252    HE1  TYR  35           HE2      TYR  35   7.704  -9.244  -6.428
  253    HE2  TYR  35           HE1      TYR  35   8.136  -5.110  -7.564
  254    HH   TYR  35           HH       TYR  35   7.418  -6.709  -8.976
  255    H    CYS  36           H        CYS  36   7.609  -5.610   0.057
  256    HA   CYS  36           HA       CYS  36  10.054  -4.796   1.499
  257    HB2  CYS  36           HB2      CYS  36   9.178  -2.468   1.282
  258    HB3  CYS  36           HB3      CYS  36   9.689  -3.191  -0.235
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1   3.021  -4.627   7.132
    2    H2   ALA   1           H2       ALA   1   3.050  -3.642   8.460
    3    H3   ALA   1           H3       ALA   1   3.092  -2.995   6.938
    4    HA   ALA   1           HA       ALA   1   0.886  -4.438   8.199
    5    HB1  ALA   1           HB1      ALA   1   1.109  -2.123   8.980
    6    HB2  ALA   1           HB2      ALA   1   1.082  -1.525   7.307
    7    HB3  ALA   1           HB3      ALA   1  -0.355  -2.308   8.003
    8    H    ALA   2           H        ALA   2  -1.014  -4.708   7.025
    9    HA   ALA   2           HA       ALA   2  -1.140  -4.262   4.137
   10    HB1  ALA   2           HB1      ALA   2  -1.521  -6.653   3.648
   11    HB2  ALA   2           HB2      ALA   2   0.087  -6.426   4.346
   12    HB3  ALA   2           HB3      ALA   2  -1.231  -7.068   5.350
   13    H    ALA   3           H        ALA   3  -3.408  -5.340   3.440
   14    HA   ALA   3           HA       ALA   3  -5.678  -5.114   3.583
   15    HB1  ALA   3           HB1      ALA   3  -5.145  -7.159   4.812
   16    HB2  ALA   3           HB2      ALA   3  -5.183  -6.224   6.332
   17    HB3  ALA   3           HB3      ALA   3  -6.660  -6.393   5.360
   18    H    ILE   4           H        ILE   4  -4.413  -2.751   4.182
   19    HA   ILE   4           HA       ILE   4  -5.789  -1.167   6.214
   20    HB   ILE   4           HB       ILE   4  -4.418   0.628   5.006
   21   HG12  ILE   4          HG12      ILE   4  -3.016  -1.737   3.663
   22   HG13  ILE   4          HG13      ILE   4  -4.310  -0.860   2.838
   23   HG21  ILE   4          HG21      ILE   4  -2.831  -1.766   6.059
   24   HG22  ILE   4          HG22      ILE   4  -2.290  -0.073   6.020
   25   HG23  ILE   4          HG23      ILE   4  -3.630  -0.547   7.065
   26   HD11  ILE   4          HD11      ILE   4  -3.087   1.151   2.834
   27   HD12  ILE   4          HD12      ILE   4  -1.801   0.419   3.866
   28   HD13  ILE   4          HD13      ILE   4  -2.071  -0.163   2.214
   29    H    SER   5           H        SER   5  -6.944   0.765   5.526
   30    HA   SER   5           HA       SER   5  -8.848   0.427   3.392
   31    HB2  SER   5           HB2      SER   5  -7.997   2.948   4.869
   32    HB3  SER   5           HB3      SER   5  -9.384   2.810   3.773
   33    HG   SER   5           HG       SER   5  -8.935   1.502   6.248
   34    H    CYS   6           H        CYS   6  -8.268   0.296   1.339
   35    HA   CYS   6           HA       CYS   6  -6.019   1.558   0.098
   36    HB2  CYS   6           HB2      CYS   6  -7.120  -0.347  -0.841
   37    HB3  CYS   6           HB3      CYS   6  -8.646   0.532  -1.003
   38    H    VAL   7           H        VAL   7  -9.341   2.821   0.586
   39    HA   VAL   7           HA       VAL   7  -9.140   5.067  -1.179
   40    HB   VAL   7           HB       VAL   7 -10.793   4.624   1.339
   41   HG11  VAL   7          HG11      VAL   7 -10.732   7.064   0.946
   42   HG12  VAL   7          HG12      VAL   7 -11.095   6.807  -0.781
   43   HG13  VAL   7          HG13      VAL   7 -12.289   6.412   0.465
   44   HG21  VAL   7          HG21      VAL   7 -12.597   4.232  -0.352
   45   HG22  VAL   7          HG22      VAL   7 -11.429   4.463  -1.656
   46   HG23  VAL   7          HG23      VAL   7 -11.276   3.079  -0.560
   47    H    GLY   8           H        GLY   8  -8.132   4.692   2.149
   48    HA2  GLY   8           HA2      GLY   8  -7.635   6.635   3.626
   49    HA3  GLY   8           HA3      GLY   8  -6.193   5.864   2.935
   50    H    SER   9           H        SER   9  -4.926   6.816   1.486
   51    HA   SER   9           HA       SER   9  -5.763   9.309   0.186
   52    HB2  SER   9           HB2      SER   9  -4.938  10.322   2.142
   53    HB3  SER   9           HB3      SER   9  -3.496   9.327   2.193
   54    HG   SER   9           HG       SER   9  -3.330  11.541   1.321
   55    HA   PRO  10           HA       PRO  10  -2.233   7.207  -2.214
   56    HB2  PRO  10           HB2      PRO  10  -0.483   5.546  -1.073
   57    HB3  PRO  10           HB3      PRO  10  -0.242   7.322  -0.928
   58    HG2  PRO  10           HG2      PRO  10  -1.563   5.429   1.023
   59    HG3  PRO  10           HG3      PRO  10  -0.261   6.597   1.398
   60    HD2  PRO  10           HD2      PRO  10  -2.928   7.130   1.805
   61    HD3  PRO  10           HD3      PRO  10  -1.769   8.411   1.272
   62    H    GLU  11           H        GLU  11  -2.232   4.896  -3.100
   63    HA   GLU  11           HA       GLU  11  -4.568   3.384  -2.217
   64    HB2  GLU  11           HB2      GLU  11  -2.418   2.828  -4.299
   65    HB3  GLU  11           HB3      GLU  11  -3.764   1.735  -3.945
   66    HG2  GLU  11           HG2      GLU  11  -5.439   3.429  -4.508
   67    HG3  GLU  11           HG3      GLU  11  -4.134   4.642  -4.759
   68    H    CYS  12           H        CYS  12  -1.110   2.309  -2.430
   69    HA   CYS  12           HA       CYS  12  -1.653   0.564  -0.068
   70    HB2  CYS  12           HB2      CYS  12  -2.487  -0.635  -1.921
   71    HB3  CYS  12           HB3      CYS  12  -1.050  -0.385  -2.869
   72    HA   PRO  13           HA       PRO  13   2.916  -0.274  -0.572
   73    HB2  PRO  13           HB2      PRO  13   4.502   1.387  -2.201
   74    HB3  PRO  13           HB3      PRO  13   3.956  -0.270  -2.512
   75    HG2  PRO  13           HG2      PRO  13   2.792   2.296  -3.545
   76    HG3  PRO  13           HG3      PRO  13   2.893   0.703  -4.336
   77    HD2  PRO  13           HD2      PRO  13   0.576   1.618  -3.213
   78    HD3  PRO  13           HD3      PRO  13   1.021  -0.094  -3.217
   79    HA   PRO  14           HA       PRO  14   4.617   3.730   1.216
   80    HB2  PRO  14           HB2      PRO  14   3.472   6.167   0.981
   81    HB3  PRO  14           HB3      PRO  14   4.408   5.448  -0.374
   82    HG2  PRO  14           HG2      PRO  14   1.421   5.332   0.088
   83    HG3  PRO  14           HG3      PRO  14   2.261   5.917  -1.387
   84    HD2  PRO  14           HD2      PRO  14   1.334   3.353  -1.198
   85    HD3  PRO  14           HD3      PRO  14   2.917   3.726  -1.973
   86    H    LYS  15           H        LYS  15   1.361   2.825   1.469
   87    HA   LYS  15           HA       LYS  15   1.081   3.804   4.267
   88    HB2  LYS  15           HB2      LYS  15  -0.727   4.033   2.402
   89    HB3  LYS  15           HB3      LYS  15  -1.064   2.347   2.742
   90    HG2  LYS  15           HG2      LYS  15  -1.294   3.121   5.231
   91    HG3  LYS  15           HG3      LYS  15  -1.205   4.759   4.590
   92    HD2  LYS  15           HD2      LYS  15  -3.445   2.746   4.246
   93    HD3  LYS  15           HD3      LYS  15  -3.457   4.304   5.017
   94    HE2  LYS  15           HE2      LYS  15  -4.384   5.058   3.157
   95    HE3  LYS  15           HE3      LYS  15  -2.745   5.128   2.549
   96    HZ1  LYS  15           HZ1      LYS  15  -4.750   2.982   2.065
   97    HZ2  LYS  15           HZ2      LYS  15  -4.142   4.010   0.950
   98    HZ3  LYS  15           HZ3      LYS  15  -3.178   2.863   1.539
   99    H    CYS  16           H        CYS  16   2.173   1.050   2.532
  100    HA   CYS  16           HA       CYS  16   1.256  -0.929   4.433
  101    HB2  CYS  16           HB2      CYS  16   1.827  -2.440   2.932
  102    HB3  CYS  16           HB3      CYS  16   1.832  -1.064   1.846
  103    H    ARG  17           H        ARG  17   4.161   1.044   4.291
  104    HA   ARG  17           HA       ARG  17   4.633   0.276   7.053
  105    HB2  ARG  17           HB2      ARG  17   7.019  -0.000   6.857
  106    HB3  ARG  17           HB3      ARG  17   6.132  -1.247   5.978
  107    HG2  ARG  17           HG2      ARG  17   6.739  -0.322   3.847
  108    HG3  ARG  17           HG3      ARG  17   7.378   1.154   4.605
  109    HD2  ARG  17           HD2      ARG  17   9.194  -0.365   4.004
  110    HD3  ARG  17           HD3      ARG  17   9.144  -0.093   5.721
  111    HE   ARG  17           HE       ARG  17   8.302  -2.605   4.274
  112   HH11  ARG  17          HH11      ARG  17   9.275  -1.181   7.369
  113   HH12  ARG  17          HH12      ARG  17   9.410  -2.757   8.103
  114   HH21  ARG  17          HH21      ARG  17   8.705  -4.467   5.171
  115   HH22  ARG  17          HH22      ARG  17   9.217  -4.590   6.853
  116    H    ALA  18           H        ALA  18   6.148   1.770   8.101
  117    HA   ALA  18           HA       ALA  18   4.966   4.070   8.528
  118    HB1  ALA  18           HB1      ALA  18   7.986   3.692   8.648
  119    HB2  ALA  18           HB2      ALA  18   7.039   4.879   9.570
  120    HB3  ALA  18           HB3      ALA  18   6.814   3.149   9.859
  121    H    GLN  19           H        GLN  19   7.853   4.176   6.407
  122    HA   GLN  19           HA       GLN  19   6.755   6.682   5.171
  123    HB2  GLN  19           HB2      GLN  19   8.918   7.550   4.860
  124    HB3  GLN  19           HB3      GLN  19   8.748   7.119   6.556
  125    HG2  GLN  19           HG2      GLN  19  10.166   5.185   6.300
  126    HG3  GLN  19           HG3      GLN  19  10.133   5.283   4.542
  127   HE21  GLN  19          HE22      GLN  19  11.815   6.324   7.359
  128   HE22  GLN  19          HE21      GLN  19  12.892   7.466   6.543
  129    H    GLY  20           H        GLY  20   6.464   3.758   4.363
  130    HA2  GLY  20           HA2      GLY  20   6.405   2.523   2.424
  131    HA3  GLY  20           HA3      GLY  20   6.760   3.991   1.508
  132    H    CYS  21           H        CYS  21   7.708   1.557   0.737
  133    HA   CYS  21           HA       CYS  21  10.669   1.982   0.706
  134    HB2  CYS  21           HB2      CYS  21  10.221   0.715   2.667
  135    HB3  CYS  21           HB3      CYS  21   9.271  -0.463   1.755
  136    H    LYS  22           H        LYS  22   8.446  -0.690  -0.252
  137    HA   LYS  22           HA       LYS  22   9.125  -0.243  -3.128
  138    HB2  LYS  22           HB2      LYS  22   9.363  -2.830  -1.552
  139    HB3  LYS  22           HB3      LYS  22   9.469  -2.706  -3.310
  140    HG2  LYS  22           HG2      LYS  22  11.453  -1.250  -3.143
  141    HG3  LYS  22           HG3      LYS  22  11.377  -1.362  -1.373
  142    HD2  LYS  22           HD2      LYS  22  11.522  -3.864  -1.590
  143    HD3  LYS  22           HD3      LYS  22  11.800  -3.651  -3.324
  144    HE2  LYS  22           HE2      LYS  22  13.915  -4.000  -2.240
  145    HE3  LYS  22           HE3      LYS  22  13.857  -2.311  -2.772
  146    HZ1  LYS  22           HZ1      LYS  22  13.063  -3.149  -0.048
  147    HZ2  LYS  22           HZ2      LYS  22  14.627  -2.798  -0.409
  148    HZ3  LYS  22           HZ3      LYS  22  13.512  -1.615  -0.581
  149    H    ASN  23           H        ASN  23   7.872  -2.133  -4.363
  150    HA   ASN  23           HA       ASN  23   5.381  -1.003  -4.632
  151    HB2  ASN  23           HB2      ASN  23   6.882  -2.531  -6.227
  152    HB3  ASN  23           HB3      ASN  23   5.785  -3.790  -5.700
  153   HD21  ASN  23          HD22      ASN  23   5.798  -3.365  -8.334
  154   HD22  ASN  23          HD21      ASN  23   4.382  -2.458  -8.821
  155    H    GLY  24           H        GLY  24   3.295  -1.843  -4.796
  156    HA2  GLY  24           HA2      GLY  24   2.302  -4.116  -3.376
  157    HA3  GLY  24           HA3      GLY  24   1.957  -2.623  -2.487
  158    H    LYS  25           H        LYS  25  -0.091  -4.166  -3.497
  159    HA   LYS  25           HA       LYS  25  -1.281  -2.393  -5.593
  160    HB2  LYS  25           HB2      LYS  25  -1.103  -5.436  -5.608
  161    HB3  LYS  25           HB3      LYS  25  -2.419  -4.602  -6.432
  162    HG2  LYS  25           HG2      LYS  25   0.545  -4.198  -7.034
  163    HG3  LYS  25           HG3      LYS  25  -0.609  -5.176  -7.962
  164    HD2  LYS  25           HD2      LYS  25  -1.992  -2.908  -8.056
  165    HD3  LYS  25           HD3      LYS  25  -0.400  -2.182  -7.749
  166    HE2  LYS  25           HE2      LYS  25  -1.081  -4.156  -9.989
  167    HE3  LYS  25           HE3      LYS  25  -1.042  -2.399 -10.197
  168    HZ1  LYS  25           HZ1      LYS  25   1.310  -4.011  -9.356
  169    HZ2  LYS  25           HZ2      LYS  25   1.015  -3.525 -10.884
  170    HZ3  LYS  25           HZ3      LYS  25   1.306  -2.414  -9.699
  171    H    CYS  26           H        CYS  26  -3.269  -1.834  -5.341
  172    HA   CYS  26           HA       CYS  26  -4.961  -3.069  -3.232
  173    HB2  CYS  26           HB2      CYS  26  -4.807  -0.766  -2.810
  174    HB3  CYS  26           HB3      CYS  26  -4.854  -0.347  -4.523
  175    H    MET  27           H        MET  27  -6.997  -3.819  -3.702
  176    HA   MET  27           HA       MET  27  -7.567  -4.308  -6.601
  177    HB2  MET  27           HB2      MET  27  -8.843  -5.892  -4.383
  178    HB3  MET  27           HB3      MET  27  -8.673  -6.274  -6.088
  179    HG2  MET  27           HG2      MET  27  -6.510  -6.251  -3.961
  180    HG3  MET  27           HG3      MET  27  -7.158  -7.648  -4.807
  181    HE1  MET  27           HE1      MET  27  -3.279  -7.111  -5.749
  182    HE2  MET  27           HE2      MET  27  -4.068  -6.555  -4.256
  183    HE3  MET  27           HE3      MET  27  -4.416  -8.179  -4.901
  184    H    ASN  28           H        ASN  28  -9.359  -3.612  -3.554
  185    HA   ASN  28           HA       ASN  28 -10.825  -1.452  -4.940
  186    HB2  ASN  28           HB2      ASN  28 -12.258  -3.369  -5.342
  187    HB3  ASN  28           HB3      ASN  28 -12.205  -3.844  -3.660
  188   HD21  ASN  28          HD22      ASN  28 -14.649  -3.745  -4.528
  189   HD22  ASN  28          HD21      ASN  28 -15.458  -2.280  -3.998
  190    H    ARG  29           H        ARG  29 -11.117  -3.128  -1.734
  191    HA   ARG  29           HA       ARG  29 -10.751  -0.479  -0.383
  192    HB2  ARG  29           HB2      ARG  29 -11.796  -3.111   0.719
  193    HB3  ARG  29           HB3      ARG  29 -11.793  -1.568   1.559
  194    HG2  ARG  29           HG2      ARG  29 -13.360  -2.156  -0.959
  195    HG3  ARG  29           HG3      ARG  29 -13.961  -2.305   0.698
  196    HD2  ARG  29           HD2      ARG  29 -13.620   0.092   1.082
  197    HD3  ARG  29           HD3      ARG  29 -12.965   0.283  -0.556
  198    HE   ARG  29           HE       ARG  29 -15.615  -0.905  -0.601
  199   HH11  ARG  29          HH21      ARG  29 -14.177   2.248  -0.046
  200   HH12  ARG  29          HH22      ARG  29 -15.573   3.066  -0.721
  201   HH21  ARG  29          HH12      ARG  29 -17.235   0.163  -1.475
  202   HH22  ARG  29          HH11      ARG  29 -17.199   1.899  -1.712
  203    H    LYS  30           H        LYS  30  -9.010  -3.397  -0.895
  204    HA   LYS  30           HA       LYS  30  -7.354  -2.993   1.565
  205    HB2  LYS  30           HB2      LYS  30  -8.346  -5.565   0.283
  206    HB3  LYS  30           HB3      LYS  30  -7.231  -5.509   1.640
  207    HG2  LYS  30           HG2      LYS  30 -10.091  -4.391   1.701
  208    HG3  LYS  30           HG3      LYS  30  -9.610  -5.988   2.263
  209    HD2  LYS  30           HD2      LYS  30  -8.140  -5.043   3.955
  210    HD3  LYS  30           HD3      LYS  30  -8.492  -3.388   3.406
  211    HE2  LYS  30           HE2      LYS  30 -10.836  -3.634   4.017
  212    HE3  LYS  30           HE3      LYS  30 -10.581  -5.335   4.450
  213    HZ1  LYS  30           HZ1      LYS  30  -9.149  -3.123   5.832
  214    HZ2  LYS  30           HZ2      LYS  30 -10.566  -3.779   6.372
  215    HZ3  LYS  30           HZ3      LYS  30  -9.206  -4.690   6.266
  216    H    CYS  31           H        CYS  31  -5.280  -4.326   1.425
  217    HA   CYS  31           HA       CYS  31  -3.881  -3.782  -1.145
  218    HB2  CYS  31           HB2      CYS  31  -3.668  -1.732  -0.032
  219    HB3  CYS  31           HB3      CYS  31  -3.603  -2.502   1.536
  220    H    LYS  32           H        LYS  32  -2.154  -4.984  -1.583
  221    HA   LYS  32           HA       LYS  32  -0.944  -6.935   0.336
  222    HB2  LYS  32           HB2      LYS  32  -2.126  -8.173  -1.327
  223    HB3  LYS  32           HB3      LYS  32  -1.776  -6.990  -2.583
  224    HG2  LYS  32           HG2      LYS  32  -0.596  -8.911  -3.133
  225    HG3  LYS  32           HG3      LYS  32   0.580  -7.703  -2.665
  226    HD2  LYS  32           HD2      LYS  32   0.762  -8.850  -0.405
  227    HD3  LYS  32           HD3      LYS  32  -0.347 -10.108  -1.020
  228    HE2  LYS  32           HE2      LYS  32   1.202 -10.369  -2.988
  229    HE3  LYS  32           HE3      LYS  32   2.309  -9.225  -2.217
  230    HZ1  LYS  32           HZ1      LYS  32   2.938 -11.546  -1.791
  231    HZ2  LYS  32           HZ2      LYS  32   2.580 -10.792  -0.386
  232    HZ3  LYS  32           HZ3      LYS  32   1.494 -11.844  -1.044
  233    H    CYS  33           H        CYS  33   1.225  -6.602   0.660
  234    HA   CYS  33           HA       CYS  33   2.685  -4.744  -1.175
  235    HB2  CYS  33           HB2      CYS  33   2.217  -4.388   1.518
  236    HB3  CYS  33           HB3      CYS  33   3.826  -5.078   1.504
  237    H    TYR  34           H        TYR  34   4.826  -5.279  -1.823
  238    HA   TYR  34           HA       TYR  34   5.083  -8.245  -1.976
  239    HB2  TYR  34           HB2      TYR  34   5.759  -5.979  -3.865
  240    HB3  TYR  34           HB3      TYR  34   6.316  -7.624  -4.118
  241    HD1  TYR  34           HD2      TYR  34   4.607  -9.521  -4.045
  242    HD2  TYR  34           HD1      TYR  34   3.623  -5.395  -4.821
  243    HE1  TYR  34           HE2      TYR  34   2.502 -10.239  -5.167
  244    HE2  TYR  34           HE1      TYR  34   1.500  -6.116  -5.923
  245    HH   TYR  34           HH       TYR  34   0.127  -7.958  -6.534
  246    H    TYR  35           H        TYR  35   7.427  -5.508  -1.898
  247    HA   TYR  35           HA       TYR  35   9.628  -7.550  -1.641
  248    HB2  TYR  35           HB2      TYR  35   9.708  -4.830  -2.860
  249    HB3  TYR  35           HB3      TYR  35  10.930  -6.087  -2.983
  250    HD1  TYR  35           HD1      TYR  35   9.973  -8.400  -4.034
  251    HD2  TYR  35           HD2      TYR  35   8.354  -4.456  -4.700
  252    HE1  TYR  35           HE1      TYR  35   8.935  -9.172  -6.151
  253    HE2  TYR  35           HE2      TYR  35   7.313  -5.246  -6.822
  254    HH   TYR  35           HH       TYR  35   7.615  -8.635  -7.923
  255    H    CYS  36           H        CYS  36   8.321  -5.120   0.331
  256    HA   CYS  36           HA       CYS  36  10.868  -5.164   1.905
  257    HB2  CYS  36           HB2      CYS  36  10.626  -3.179   0.413
  258    HB3  CYS  36           HB3      CYS  36   9.194  -2.713   1.336
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1   3.051  -6.219   6.720
    2    H2   ALA   1           H2       ALA   1   3.224  -5.486   5.249
    3    H3   ALA   1           H3       ALA   1   2.237  -6.792   5.421
    4    HA   ALA   1           HA       ALA   1   0.834  -5.564   6.956
    5    HB1  ALA   1           HB1      ALA   1   2.481  -3.869   7.634
    6    HB2  ALA   1           HB2      ALA   1   2.544  -3.248   5.974
    7    HB3  ALA   1           HB3      ALA   1   1.048  -3.097   6.931
    8    H    ALA   2           H        ALA   2  -1.110  -5.181   6.087
    9    HA   ALA   2           HA       ALA   2  -1.455  -4.006   3.430
   10    HB1  ALA   2           HB1      ALA   2  -2.740  -5.962   2.574
   11    HB2  ALA   2           HB2      ALA   2  -1.066  -6.418   2.924
   12    HB3  ALA   2           HB3      ALA   2  -2.358  -6.865   4.055
   13    H    ALA   3           H        ALA   3  -2.668  -4.858   6.545
   14    HA   ALA   3           HA       ALA   3  -5.453  -4.469   6.086
   15    HB1  ALA   3           HB1      ALA   3  -4.521  -5.937   7.777
   16    HB2  ALA   3           HB2      ALA   3  -3.791  -4.554   8.622
   17    HB3  ALA   3           HB3      ALA   3  -5.562  -4.709   8.524
   18    H    ILE   4           H        ILE   4  -4.927  -2.414   4.884
   19    HA   ILE   4           HA       ILE   4  -6.014  -0.209   6.528
   20    HB   ILE   4           HB       ILE   4  -4.722   1.449   5.121
   21   HG12  ILE   4          HG12      ILE   4  -3.109  -1.011   4.344
   22   HG13  ILE   4          HG13      ILE   4  -3.945   0.152   3.308
   23   HG21  ILE   4          HG21      ILE   4  -2.873   1.535   6.615
   24   HG22  ILE   4          HG22      ILE   4  -4.236   0.877   7.526
   25   HG23  ILE   4          HG23      ILE   4  -2.957  -0.215   6.948
   26   HD11  ILE   4          HD11      ILE   4  -1.621   0.633   3.192
   27   HD12  ILE   4          HD12      ILE   4  -2.331   1.918   4.213
   28   HD13  ILE   4          HD13      ILE   4  -1.431   0.571   4.942
   29    H    SER   5           H        SER   5  -7.397   1.186   5.404
   30    HA   SER   5           HA       SER   5  -8.872   0.201   3.147
   31    HB2  SER   5           HB2      SER   5  -8.539   3.048   4.187
   32    HB3  SER   5           HB3      SER   5  -9.775   2.502   3.053
   33    HG   SER   5           HG       SER   5 -10.447   2.682   5.276
   34    H    CYS   6           H        CYS   6  -8.075   0.000   1.124
   35    HA   CYS   6           HA       CYS   6  -5.497   0.976   0.494
   36    HB2  CYS   6           HB2      CYS   6  -6.674  -1.065  -0.352
   37    HB3  CYS   6           HB3      CYS   6  -7.537  -0.010  -1.489
   38    H    VAL   7           H        VAL   7  -8.568   2.631   0.022
   39    HA   VAL   7           HA       VAL   7  -7.568   4.520  -1.942
   40    HB   VAL   7           HB       VAL   7  -9.345   5.992  -1.261
   41   HG11  VAL   7          HG11      VAL   7  -9.724   4.025  -2.769
   42   HG12  VAL   7          HG12      VAL   7 -10.368   3.130  -1.378
   43   HG13  VAL   7          HG13      VAL   7 -11.169   4.611  -1.936
   44   HG21  VAL   7          HG21      VAL   7  -9.544   5.778   1.148
   45   HG22  VAL   7          HG22      VAL   7 -11.060   5.293   0.409
   46   HG23  VAL   7          HG23      VAL   7  -9.947   4.053   1.014
   47    H    GLY   8           H        GLY   8  -7.460   4.442   1.571
   48    HA2  GLY   8           HA2      GLY   8  -7.018   6.192   3.088
   49    HA3  GLY   8           HA3      GLY   8  -5.423   5.751   2.525
   50    H    SER   9           H        SER   9  -4.123   7.315   1.990
   51    HA   SER   9           HA       SER   9  -5.344   9.767   0.745
   52    HB2  SER   9           HB2      SER   9  -4.197   9.786   3.183
   53    HB3  SER   9           HB3      SER   9  -2.802  10.213   2.189
   54    HG   SER   9           HG       SER   9  -3.692  12.121   2.381
   55    HA   PRO  10           HA       PRO  10  -1.448   9.004  -1.935
   56    HB2  PRO  10           HB2      PRO  10   0.452   7.223  -1.265
   57    HB3  PRO  10           HB3      PRO  10   0.402   8.834  -0.498
   58    HG2  PRO  10           HG2      PRO  10  -0.810   6.252   0.584
   59    HG3  PRO  10           HG3      PRO  10   0.359   7.341   1.413
   60    HD2  PRO  10           HD2      PRO  10  -2.325   7.517   1.769
   61    HD3  PRO  10           HD3      PRO  10  -1.281   8.980   1.696
   62    H    GLU  11           H        GLU  11  -0.506   6.858  -3.263
   63    HA   GLU  11           HA       GLU  11  -2.883   5.363  -3.932
   64    HB2  GLU  11           HB2      GLU  11  -0.104   5.453  -5.059
   65    HB3  GLU  11           HB3      GLU  11  -1.222   4.170  -5.526
   66    HG2  GLU  11           HG2      GLU  11  -1.390   5.980  -7.114
   67    HG3  GLU  11           HG3      GLU  11  -2.897   5.817  -6.218
   68    H    CYS  12           H        CYS  12   0.290   3.734  -3.034
   69    HA   CYS  12           HA       CYS  12  -1.159   2.287  -0.958
   70    HB2  CYS  12           HB2      CYS  12  -2.008   0.989  -2.747
   71    HB3  CYS  12           HB3      CYS  12  -0.427   0.742  -3.439
   72    HA   PRO  13           HA       PRO  13   3.277   0.485  -0.700
   73    HB2  PRO  13           HB2      PRO  13   5.281   1.970  -2.054
   74    HB3  PRO  13           HB3      PRO  13   4.645   0.347  -2.434
   75    HG2  PRO  13           HG2      PRO  13   3.895   3.012  -3.593
   76    HG3  PRO  13           HG3      PRO  13   3.979   1.438  -4.426
   77    HD2  PRO  13           HD2      PRO  13   1.629   2.546  -3.708
   78    HD3  PRO  13           HD3      PRO  13   1.881   0.786  -3.610
   79    HA   PRO  14           HA       PRO  14   5.039   4.453   1.315
   80    HB2  PRO  14           HB2      PRO  14   3.715   6.834   1.167
   81    HB3  PRO  14           HB3      PRO  14   4.933   6.319  -0.035
   82    HG2  PRO  14           HG2      PRO  14   1.929   5.991  -0.177
   83    HG3  PRO  14           HG3      PRO  14   3.010   6.721  -1.418
   84    HD2  PRO  14           HD2      PRO  14   2.204   4.176  -1.611
   85    HD3  PRO  14           HD3      PRO  14   3.915   4.592  -1.964
   86    H    LYS  15           H        LYS  15   1.658   3.555   1.277
   87    HA   LYS  15           HA       LYS  15   1.345   4.392   4.133
   88    HB2  LYS  15           HB2      LYS  15  -0.979   4.055   3.962
   89    HB3  LYS  15           HB3      LYS  15  -0.437   5.211   2.765
   90    HG2  LYS  15           HG2      LYS  15  -0.795   3.701   0.950
   91    HG3  LYS  15           HG3      LYS  15  -0.839   2.303   2.021
   92    HD2  LYS  15           HD2      LYS  15  -3.110   2.485   1.716
   93    HD3  LYS  15           HD3      LYS  15  -2.960   3.608   3.048
   94    HE2  LYS  15           HE2      LYS  15  -4.106   4.942   1.710
   95    HE3  LYS  15           HE3      LYS  15  -2.503   5.405   1.182
   96    HZ1  LYS  15           HZ1      LYS  15  -3.866   5.016  -0.717
   97    HZ2  LYS  15           HZ2      LYS  15  -2.856   3.765  -0.699
   98    HZ3  LYS  15           HZ3      LYS  15  -4.400   3.564  -0.199
   99    H    CYS  16           H        CYS  16   2.155   1.543   2.393
  100    HA   CYS  16           HA       CYS  16   1.012  -0.445   4.011
  101    HB2  CYS  16           HB2      CYS  16   3.709  -0.342   2.621
  102    HB3  CYS  16           HB3      CYS  16   3.101  -1.784   3.431
  103    H    ARG  17           H        ARG  17   3.857   1.567   4.799
  104    HA   ARG  17           HA       ARG  17   3.754   0.678   7.638
  105    HB2  ARG  17           HB2      ARG  17   6.415   1.150   6.258
  106    HB3  ARG  17           HB3      ARG  17   6.093   0.431   7.828
  107    HG2  ARG  17           HG2      ARG  17   5.112  -1.562   6.660
  108    HG3  ARG  17           HG3      ARG  17   5.568  -0.805   5.100
  109    HD2  ARG  17           HD2      ARG  17   7.902  -0.784   5.714
  110    HD3  ARG  17           HD3      ARG  17   7.528  -1.380   7.348
  111    HE   ARG  17           HE       ARG  17   6.554  -3.241   5.387
  112   HH11  ARG  17          HH11      ARG  17   9.595  -2.276   6.954
  113   HH12  ARG  17          HH12      ARG  17  10.310  -3.842   6.550
  114   HH21  ARG  17          HH21      ARG  17   7.769  -5.137   4.819
  115   HH22  ARG  17          HH22      ARG  17   9.340  -5.307   5.590
  116    H    ALA  18           H        ALA  18   5.079   2.305   9.015
  117    HA   ALA  18           HA       ALA  18   4.319   5.007   8.588
  118    HB1  ALA  18           HB1      ALA  18   5.898   5.443  10.436
  119    HB2  ALA  18           HB2      ALA  18   4.918   3.995  10.753
  120    HB3  ALA  18           HB3      ALA  18   6.606   3.825  10.220
  121    H    GLN  19           H        GLN  19   7.136   3.288   7.399
  122    HA   GLN  19           HA       GLN  19   8.087   5.702   5.906
  123    HB2  GLN  19           HB2      GLN  19  10.217   4.567   5.701
  124    HB3  GLN  19           HB3      GLN  19   9.780   4.942   7.358
  125    HG2  GLN  19           HG2      GLN  19   9.213   2.182   6.196
  126    HG3  GLN  19           HG3      GLN  19  10.806   2.651   6.772
  127   HE21  GLN  19          HE22      GLN  19  11.020   3.345   9.065
  128   HE22  GLN  19          HE21      GLN  19   9.818   2.814  10.256
  129    H    GLY  20           H        GLY  20   6.148   3.123   5.389
  130    HA2  GLY  20           HA2      GLY  20   5.370   1.963   3.620
  131    HA3  GLY  20           HA3      GLY  20   6.134   3.179   2.574
  132    H    CYS  21           H        CYS  21   6.360   1.551   1.064
  133    HA   CYS  21           HA       CYS  21   8.453  -0.562   1.420
  134    HB2  CYS  21           HB2      CYS  21   5.478  -0.696   0.860
  135    HB3  CYS  21           HB3      CYS  21   6.508  -1.917   0.170
  136    H    LYS  22           H        LYS  22   8.821  -1.757  -0.676
  137    HA   LYS  22           HA       LYS  22   9.652  -0.123  -2.788
  138    HB2  LYS  22           HB2      LYS  22   8.936  -3.082  -2.811
  139    HB3  LYS  22           HB3      LYS  22   9.756  -2.263  -4.146
  140    HG2  LYS  22           HG2      LYS  22  11.687  -1.768  -2.801
  141    HG3  LYS  22           HG3      LYS  22  10.847  -2.248  -1.330
  142    HD2  LYS  22           HD2      LYS  22  10.687  -4.599  -2.259
  143    HD3  LYS  22           HD3      LYS  22  11.714  -4.079  -3.591
  144    HE2  LYS  22           HE2      LYS  22  13.070  -5.206  -1.921
  145    HE3  LYS  22           HE3      LYS  22  13.503  -3.496  -1.983
  146    HZ1  LYS  22           HZ1      LYS  22  11.813  -4.765   0.116
  147    HZ2  LYS  22           HZ2      LYS  22  13.327  -4.204   0.296
  148    HZ3  LYS  22           HZ3      LYS  22  12.126  -3.150   0.018
  149    H    ASN  23           H        ASN  23   6.840  -2.323  -3.166
  150    HA   ASN  23           HA       ASN  23   5.301  -0.278  -4.543
  151    HB2  ASN  23           HB2      ASN  23   6.865  -1.360  -6.296
  152    HB3  ASN  23           HB3      ASN  23   5.869  -2.804  -6.113
  153   HD21  ASN  23          HD22      ASN  23   5.986  -1.761  -8.602
  154   HD22  ASN  23          HD21      ASN  23   4.506  -0.877  -8.952
  155    H    GLY  24           H        GLY  24   3.097  -1.170  -5.136
  156    HA2  GLY  24           HA2      GLY  24   2.014  -3.517  -3.885
  157    HA3  GLY  24           HA3      GLY  24   1.767  -2.105  -2.839
  158    H    LYS  25           H        LYS  25  -0.406  -3.449  -3.705
  159    HA   LYS  25           HA       LYS  25  -1.797  -1.652  -5.626
  160    HB2  LYS  25           HB2      LYS  25  -0.533  -3.684  -6.702
  161    HB3  LYS  25           HB3      LYS  25  -1.768  -4.683  -5.958
  162    HG2  LYS  25           HG2      LYS  25  -2.408  -4.357  -8.205
  163    HG3  LYS  25           HG3      LYS  25  -3.485  -3.305  -7.283
  164    HD2  LYS  25           HD2      LYS  25  -1.928  -1.369  -7.827
  165    HD3  LYS  25           HD3      LYS  25  -0.959  -2.488  -8.807
  166    HE2  LYS  25           HE2      LYS  25  -3.038  -2.977 -10.155
  167    HE3  LYS  25           HE3      LYS  25  -3.881  -1.728  -9.230
  168    HZ1  LYS  25           HZ1      LYS  25  -1.554  -1.347 -11.027
  169    HZ2  LYS  25           HZ2      LYS  25  -3.085  -0.746 -11.216
  170    HZ3  LYS  25           HZ3      LYS  25  -2.132  -0.160 -10.029
  171    H    CYS  26           H        CYS  26  -4.195  -2.056  -5.672
  172    HA   CYS  26           HA       CYS  26  -5.163  -2.880  -3.024
  173    HB2  CYS  26           HB2      CYS  26  -6.715  -1.830  -5.394
  174    HB3  CYS  26           HB3      CYS  26  -7.326  -2.071  -3.773
  175    H    MET  27           H        MET  27  -6.320  -4.636  -2.495
  176    HA   MET  27           HA       MET  27  -7.609  -6.315  -4.573
  177    HB2  MET  27           HB2      MET  27  -5.450  -7.403  -4.201
  178    HB3  MET  27           HB3      MET  27  -5.685  -7.353  -2.443
  179    HG2  MET  27           HG2      MET  27  -6.108  -9.580  -3.341
  180    HG3  MET  27           HG3      MET  27  -7.548  -8.918  -2.608
  181    HE1  MET  27           HE1      MET  27  -7.562 -11.506  -4.397
  182    HE2  MET  27           HE2      MET  27  -8.998 -10.793  -3.637
  183    HE3  MET  27           HE3      MET  27  -9.023 -11.217  -5.353
  184    H    ASN  28           H        ASN  28  -9.706  -6.428  -4.019
  185    HA   ASN  28           HA       ASN  28 -11.611  -5.992  -2.874
  186    HB2  ASN  28           HB2      ASN  28 -10.313  -8.004  -1.012
  187    HB3  ASN  28           HB3      ASN  28 -12.003  -7.514  -0.911
  188   HD21  ASN  28          HD22      ASN  28 -11.043 -10.266  -1.509
  189   HD22  ASN  28          HD21      ASN  28 -11.830 -10.587  -3.034
  190    H    ARG  29           H        ARG  29 -10.168  -3.951  -2.787
  191    HA   ARG  29           HA       ARG  29  -9.055  -2.269  -1.994
  192    HB2  ARG  29           HB2      ARG  29 -10.415  -0.604  -0.935
  193    HB3  ARG  29           HB3      ARG  29 -11.229  -1.445  -2.247
  194    HG2  ARG  29           HG2      ARG  29 -12.502  -2.783  -0.721
  195    HG3  ARG  29           HG3      ARG  29 -11.606  -2.164   0.688
  196    HD2  ARG  29           HD2      ARG  29 -12.466   0.121   0.177
  197    HD3  ARG  29           HD3      ARG  29 -13.354  -0.525  -1.217
  198    HE   ARG  29           HE       ARG  29 -14.218  -2.129   0.781
  199   HH11  ARG  29          HH11      ARG  29 -14.067   1.420   0.729
  200   HH12  ARG  29          HH12      ARG  29 -15.579   1.570   1.590
  201   HH21  ARG  29          HH21      ARG  29 -15.820  -1.771   2.303
  202   HH22  ARG  29          HH22      ARG  29 -16.273  -0.148   2.754
  203    H    LYS  30           H        LYS  30  -8.100  -4.464  -0.512
  204    HA   LYS  30           HA       LYS  30  -6.938  -2.921   1.789
  205    HB2  LYS  30           HB2      LYS  30  -6.662  -5.895   1.288
  206    HB3  LYS  30           HB3      LYS  30  -6.230  -5.000   2.745
  207    HG2  LYS  30           HG2      LYS  30  -9.039  -5.499   1.663
  208    HG3  LYS  30           HG3      LYS  30  -8.319  -6.292   3.045
  209    HD2  LYS  30           HD2      LYS  30  -8.864  -3.284   2.920
  210    HD3  LYS  30           HD3      LYS  30 -10.025  -4.446   3.511
  211    HE2  LYS  30           HE2      LYS  30  -7.247  -4.046   4.702
  212    HE3  LYS  30           HE3      LYS  30  -8.724  -3.271   5.282
  213    HZ1  LYS  30           HZ1      LYS  30  -8.093  -6.165   5.372
  214    HZ2  LYS  30           HZ2      LYS  30  -8.467  -5.144   6.605
  215    HZ3  LYS  30           HZ3      LYS  30  -9.637  -5.603   5.539
  216    H    CYS  31           H        CYS  31  -4.543  -2.951   1.974
  217    HA   CYS  31           HA       CYS  31  -3.514  -2.434  -0.804
  218    HB2  CYS  31           HB2      CYS  31  -3.689  -0.499   0.548
  219    HB3  CYS  31           HB3      CYS  31  -2.887  -1.288   1.890
  220    H    LYS  32           H        LYS  32  -2.925  -4.590  -1.332
  221    HA   LYS  32           HA       LYS  32  -1.029  -6.141   0.183
  222    HB2  LYS  32           HB2      LYS  32  -2.806  -6.998  -1.377
  223    HB3  LYS  32           HB3      LYS  32  -2.002  -6.200  -2.720
  224    HG2  LYS  32           HG2      LYS  32  -1.475  -8.508  -2.806
  225    HG3  LYS  32           HG3      LYS  32   0.007  -7.660  -2.348
  226    HD2  LYS  32           HD2      LYS  32  -0.283  -8.338  -0.004
  227    HD3  LYS  32           HD3      LYS  32  -1.877  -9.047  -0.373
  228    HE2  LYS  32           HE2      LYS  32  -0.833 -10.567  -1.994
  229    HE3  LYS  32           HE3      LYS  32   0.755  -9.872  -1.639
  230    HZ1  LYS  32           HZ1      LYS  32   0.561 -10.678   0.621
  231    HZ2  LYS  32           HZ2      LYS  32  -0.941 -11.301   0.350
  232    HZ3  LYS  32           HZ3      LYS  32   0.380 -11.967  -0.384
  233    H    CYS  33           H        CYS  33   0.982  -5.315   0.501
  234    HA   CYS  33           HA       CYS  33   2.423  -3.917  -1.665
  235    HB2  CYS  33           HB2      CYS  33   2.851  -4.299   1.248
  236    HB3  CYS  33           HB3      CYS  33   4.293  -4.369   0.244
  237    H    TYR  34           H        TYR  34   3.949  -4.833  -2.990
  238    HA   TYR  34           HA       TYR  34   3.569  -7.702  -3.408
  239    HB2  TYR  34           HB2      TYR  34   5.228  -5.617  -4.873
  240    HB3  TYR  34           HB3      TYR  34   4.989  -7.262  -5.423
  241    HD1  TYR  34           HD1      TYR  34   1.942  -7.514  -4.875
  242    HD2  TYR  34           HD2      TYR  34   4.406  -4.512  -6.754
  243    HE1  TYR  34           HE1      TYR  34   0.136  -7.045  -6.514
  244    HE2  TYR  34           HE2      TYR  34   2.583  -4.026  -8.372
  245    HH   TYR  34           HH       TYR  34   0.622  -4.819  -9.254
  246    H    TYR  35           H        TYR  35   6.325  -5.711  -2.501
  247    HA   TYR  35           HA       TYR  35   8.053  -8.120  -2.121
  248    HB2  TYR  35           HB2      TYR  35   8.800  -5.541  -3.526
  249    HB3  TYR  35           HB3      TYR  35   9.908  -6.863  -3.158
  250    HD1  TYR  35           HD1      TYR  35   9.371  -9.210  -4.096
  251    HD2  TYR  35           HD2      TYR  35   7.691  -5.552  -5.644
  252    HE1  TYR  35           HE1      TYR  35   8.820 -10.357  -6.236
  253    HE2  TYR  35           HE2      TYR  35   7.089  -6.717  -7.754
  254    HH   TYR  35           HH       TYR  35   6.993  -8.751  -8.851
  255    H    CYS  36           H        CYS  36   6.607  -6.512  -0.103
  256    HA   CYS  36           HA       CYS  36   8.673  -6.122   1.877
  257    HB2  CYS  36           HB2      CYS  36   9.094  -4.104   0.694
  258    HB3  CYS  36           HB3      CYS  36   7.377  -3.789   0.463
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1   2.316  -3.472   8.453
    2    H2   ALA   1           H2       ALA   1   1.913  -2.302   7.380
    3    H3   ALA   1           H3       ALA   1   2.490  -3.757   6.848
    4    HA   ALA   1           HA       ALA   1   0.599  -4.910   7.579
    5    HB1  ALA   1           HB1      ALA   1   0.058  -3.551   9.561
    6    HB2  ALA   1           HB2      ALA   1  -0.437  -2.195   8.517
    7    HB3  ALA   1           HB3      ALA   1  -1.357  -3.724   8.511
    8    H    ALA   2           H        ALA   2  -0.476  -5.485   5.787
    9    HA   ALA   2           HA       ALA   2  -1.119  -3.477   3.701
   10    HB1  ALA   2           HB1      ALA   2   0.234  -5.560   3.286
   11    HB2  ALA   2           HB2      ALA   2  -1.227  -6.505   3.588
   12    HB3  ALA   2           HB3      ALA   2  -1.164  -5.351   2.240
   13    H    ALA   3           H        ALA   3  -2.676  -5.172   6.204
   14    HA   ALA   3           HA       ALA   3  -5.387  -5.436   5.318
   15    HB1  ALA   3           HB1      ALA   3  -4.313  -6.566   7.242
   16    HB2  ALA   3           HB2      ALA   3  -4.104  -4.977   8.056
   17    HB3  ALA   3           HB3      ALA   3  -5.723  -5.657   7.773
   18    H    ILE   4           H        ILE   4  -4.353  -2.789   4.654
   19    HA   ILE   4           HA       ILE   4  -5.675  -0.822   6.450
   20    HB   ILE   4           HB       ILE   4  -4.231   0.793   5.212
   21   HG12  ILE   4          HG12      ILE   4  -2.696  -1.579   4.093
   22   HG13  ILE   4          HG13      ILE   4  -4.024  -0.882   3.171
   23   HG21  ILE   4          HG21      ILE   4  -2.690  -1.496   6.518
   24   HG22  ILE   4          HG22      ILE   4  -2.140   0.174   6.330
   25   HG23  ILE   4          HG23      ILE   4  -3.522  -0.181   7.377
   26   HD11  ILE   4          HD11      ILE   4  -2.978   1.232   3.061
   27   HD12  ILE   4          HD12      ILE   4  -1.686   0.724   4.200
   28   HD13  ILE   4          HD13      ILE   4  -1.801   0.015   2.566
   29    H    SER   5           H        SER   5  -6.577   1.093   5.358
   30    HA   SER   5           HA       SER   5  -8.394   0.266   3.188
   31    HB2  SER   5           HB2      SER   5  -8.269   2.846   4.755
   32    HB3  SER   5           HB3      SER   5  -9.477   2.396   3.526
   33    HG   SER   5           HG       SER   5  -9.035   1.350   6.098
   34    H    CYS   6           H        CYS   6  -7.577   0.232   1.271
   35    HA   CYS   6           HA       CYS   6  -5.515   1.924   0.181
   36    HB2  CYS   6           HB2      CYS   6  -5.653  -0.016  -0.957
   37    HB3  CYS   6           HB3      CYS   6  -7.374  -0.185  -0.666
   38    H    VAL   7           H        VAL   7  -9.007   2.331   0.361
   39    HA   VAL   7           HA       VAL   7  -9.257   4.570  -1.413
   40    HB   VAL   7           HB       VAL   7 -11.378   4.961  -0.197
   41   HG11  VAL   7          HG11      VAL   7 -11.266   3.347  -2.034
   42   HG12  VAL   7          HG12      VAL   7 -10.908   2.039  -0.891
   43   HG13  VAL   7          HG13      VAL   7 -12.463   2.884  -0.821
   44   HG21  VAL   7          HG21      VAL   7 -12.145   3.471   1.537
   45   HG22  VAL   7          HG22      VAL   7 -10.623   2.577   1.555
   46   HG23  VAL   7          HG23      VAL   7 -10.683   4.272   2.115
   47    H    GLY   8           H        GLY   8  -7.580   4.435   1.448
   48    HA2  GLY   8           HA2      GLY   8  -8.280   6.576   3.063
   49    HA3  GLY   8           HA3      GLY   8  -6.671   5.861   2.830
   50    H    SER   9           H        SER   9  -5.199   6.746   1.295
   51    HA   SER   9           HA       SER   9  -6.047   9.182  -0.179
   52    HB2  SER   9           HB2      SER   9  -5.409  10.310   1.774
   53    HB3  SER   9           HB3      SER   9  -4.021   9.276   2.059
   54    HG   SER   9           HG       SER   9  -2.937  10.742   1.066
   55    HA   PRO  10           HA       PRO  10  -2.313   7.155  -2.236
   56    HB2  PRO  10           HB2      PRO  10  -0.474   5.701  -0.946
   57    HB3  PRO  10           HB3      PRO  10  -0.457   7.495  -0.782
   58    HG2  PRO  10           HG2      PRO  10  -1.730   5.442   1.046
   59    HG3  PRO  10           HG3      PRO  10  -0.590   6.739   1.539
   60    HD2  PRO  10           HD2      PRO  10  -3.335   6.981   1.715
   61    HD3  PRO  10           HD3      PRO  10  -2.262   8.362   1.295
   62    H    GLU  11           H        GLU  11  -2.023   4.997  -3.178
   63    HA   GLU  11           HA       GLU  11  -4.165   3.161  -2.753
   64    HB2  GLU  11           HB2      GLU  11  -1.565   2.486  -4.170
   65    HB3  GLU  11           HB3      GLU  11  -3.146   1.761  -4.366
   66    HG2  GLU  11           HG2      GLU  11  -3.115   3.017  -6.249
   67    HG3  GLU  11           HG3      GLU  11  -3.802   4.234  -5.176
   68    H    CYS  12           H        CYS  12  -0.654   2.442  -2.238
   69    HA   CYS  12           HA       CYS  12  -1.394   0.739   0.090
   70    HB2  CYS  12           HB2      CYS  12  -2.015  -0.555  -1.800
   71    HB3  CYS  12           HB3      CYS  12  -0.496  -0.294  -2.598
   72    HA   PRO  13           HA       PRO  13   3.257   0.073  -0.016
   73    HB2  PRO  13           HB2      PRO  13   4.874   1.818  -1.575
   74    HB3  PRO  13           HB3      PRO  13   4.488   0.096  -1.869
   75    HG2  PRO  13           HG2      PRO  13   3.222   2.555  -3.044
   76    HG3  PRO  13           HG3      PRO  13   3.494   0.962  -3.792
   77    HD2  PRO  13           HD2      PRO  13   1.052   1.744  -2.895
   78    HD3  PRO  13           HD3      PRO  13   1.599   0.055  -2.796
   79    HA   PRO  14           HA       PRO  14   4.644   4.275   1.746
   80    HB2  PRO  14           HB2      PRO  14   3.218   6.565   1.443
   81    HB3  PRO  14           HB3      PRO  14   4.353   5.970   0.188
   82    HG2  PRO  14           HG2      PRO  14   1.362   5.536   0.346
   83    HG3  PRO  14           HG3      PRO  14   2.296   6.188  -1.045
   84    HD2  PRO  14           HD2      PRO  14   1.621   3.570  -0.936
   85    HD3  PRO  14           HD3      PRO  14   3.250   4.076  -1.499
   86    H    LYS  15           H        LYS  15   1.340   3.251   1.846
   87    HA   LYS  15           HA       LYS  15   0.874   4.246   4.612
   88    HB2  LYS  15           HB2      LYS  15  -0.797   4.303   2.603
   89    HB3  LYS  15           HB3      LYS  15  -1.071   2.614   2.995
   90    HG2  LYS  15           HG2      LYS  15  -1.531   3.500   5.425
   91    HG3  LYS  15           HG3      LYS  15  -1.532   5.099   4.688
   92    HD2  LYS  15           HD2      LYS  15  -3.561   2.874   4.338
   93    HD3  LYS  15           HD3      LYS  15  -3.763   4.486   4.944
   94    HE2  LYS  15           HE2      LYS  15  -4.644   4.873   2.917
   95    HE3  LYS  15           HE3      LYS  15  -2.970   5.211   2.511
   96    HZ1  LYS  15           HZ1      LYS  15  -2.894   2.826   1.690
   97    HZ2  LYS  15           HZ2      LYS  15  -4.536   2.775   1.965
   98    HZ3  LYS  15           HZ3      LYS  15  -3.906   3.790   0.851
   99    H    CYS  16           H        CYS  16   2.093   1.492   3.023
  100    HA   CYS  16           HA       CYS  16   1.198  -0.559   4.794
  101    HB2  CYS  16           HB2      CYS  16   2.030  -0.760   2.428
  102    HB3  CYS  16           HB3      CYS  16   3.675  -0.549   3.027
  103    H    ARG  17           H        ARG  17   3.855   1.715   5.030
  104    HA   ARG  17           HA       ARG  17   4.248   1.298   7.828
  105    HB2  ARG  17           HB2      ARG  17   6.624   0.702   7.761
  106    HB3  ARG  17           HB3      ARG  17   5.635  -0.555   7.029
  107    HG2  ARG  17           HG2      ARG  17   6.216   0.425   4.742
  108    HG3  ARG  17           HG3      ARG  17   7.319   1.524   5.584
  109    HD2  ARG  17           HD2      ARG  17   8.550  -0.219   4.701
  110    HD3  ARG  17           HD3      ARG  17   8.570  -0.440   6.456
  111    HE   ARG  17           HE       ARG  17   6.517  -2.082   5.755
  112   HH11  ARG  17          HH11      ARG  17   9.734  -1.968   4.279
  113   HH12  ARG  17          HH12      ARG  17   9.657  -3.721   4.004
  114   HH21  ARG  17          HH22      ARG  17   6.622  -4.245   5.360
  115   HH22  ARG  17          HH21      ARG  17   8.015  -4.870   4.490
  116    H    ALA  18           H        ALA  18   6.000   2.780   8.625
  117    HA   ALA  18           HA       ALA  18   5.399   5.388   7.870
  118    HB1  ALA  18           HB1      ALA  18   7.810   4.342   9.396
  119    HB2  ALA  18           HB2      ALA  18   7.177   6.002   9.458
  120    HB3  ALA  18           HB3      ALA  18   6.200   4.652  10.075
  121    H    GLN  19           H        GLN  19   8.530   3.727   7.112
  122    HA   GLN  19           HA       GLN  19   9.291   5.961   5.355
  123    HB2  GLN  19           HB2      GLN  19  11.372   5.026   5.090
  124    HB3  GLN  19           HB3      GLN  19  10.963   4.726   6.769
  125    HG2  GLN  19           HG2      GLN  19  10.563   2.343   6.265
  126    HG3  GLN  19           HG3      GLN  19  10.752   2.640   4.536
  127   HE21  GLN  19          HE22      GLN  19  12.575   2.896   7.626
  128   HE22  GLN  19          HE21      GLN  19  14.163   2.702   6.873
  129    H    GLY  20           H        GLY  20   7.085   3.698   4.861
  130    HA2  GLY  20           HA2      GLY  20   6.012   2.851   3.088
  131    HA3  GLY  20           HA3      GLY  20   7.055   3.782   2.006
  132    H    CYS  21           H        CYS  21   6.040   1.403   1.381
  133    HA   CYS  21           HA       CYS  21   8.232  -0.632   1.351
  134    HB2  CYS  21           HB2      CYS  21   5.949  -1.376   1.855
  135    HB3  CYS  21           HB3      CYS  21   5.355  -0.561   0.412
  136    H    LYS  22           H        LYS  22   8.822  -1.471  -0.729
  137    HA   LYS  22           HA       LYS  22   9.587   0.456  -2.699
  138    HB2  LYS  22           HB2      LYS  22   9.320  -2.568  -3.051
  139    HB3  LYS  22           HB3      LYS  22  10.232  -1.458  -4.076
  140    HG2  LYS  22           HG2      LYS  22  11.692  -0.902  -2.088
  141    HG3  LYS  22           HG3      LYS  22  10.826  -2.166  -1.181
  142    HD2  LYS  22           HD2      LYS  22  11.487  -3.845  -2.880
  143    HD3  LYS  22           HD3      LYS  22  12.381  -2.582  -3.757
  144    HE2  LYS  22           HE2      LYS  22  14.118  -3.467  -2.559
  145    HE3  LYS  22           HE3      LYS  22  13.587  -2.233  -1.419
  146    HZ1  LYS  22           HZ1      LYS  22  12.207  -4.073  -0.376
  147    HZ2  LYS  22           HZ2      LYS  22  12.952  -5.138  -1.371
  148    HZ3  LYS  22           HZ3      LYS  22  13.832  -4.305  -0.259
  149    H    ASN  23           H        ASN  23   6.986  -2.007  -2.921
  150    HA   ASN  23           HA       ASN  23   5.295  -0.266  -4.502
  151    HB2  ASN  23           HB2      ASN  23   7.046  -1.204  -6.153
  152    HB3  ASN  23           HB3      ASN  23   6.319  -2.780  -5.879
  153   HD21  ASN  23          HD22      ASN  23   6.239  -2.350  -8.314
  154   HD22  ASN  23          HD21      ASN  23   4.719  -1.659  -8.902
  155    H    GLY  24           H        GLY  24   3.287  -1.534  -5.222
  156    HA2  GLY  24           HA2      GLY  24   2.543  -4.005  -3.978
  157    HA3  GLY  24           HA3      GLY  24   1.913  -2.644  -3.044
  158    H    LYS  25           H        LYS  25  -0.114  -3.752  -3.683
  159    HA   LYS  25           HA       LYS  25  -1.300  -2.236  -5.892
  160    HB2  LYS  25           HB2      LYS  25  -0.552  -4.870  -6.427
  161    HB3  LYS  25           HB3      LYS  25  -2.251  -5.047  -5.980
  162    HG2  LYS  25           HG2      LYS  25  -2.724  -3.112  -7.601
  163    HG3  LYS  25           HG3      LYS  25  -1.047  -3.251  -8.129
  164    HD2  LYS  25           HD2      LYS  25  -1.516  -5.629  -8.804
  165    HD3  LYS  25           HD3      LYS  25  -3.209  -5.395  -8.310
  166    HE2  LYS  25           HE2      LYS  25  -3.285  -3.383  -9.881
  167    HE3  LYS  25           HE3      LYS  25  -1.680  -3.847 -10.455
  168    HZ1  LYS  25           HZ1      LYS  25  -3.435  -4.712 -11.888
  169    HZ2  LYS  25           HZ2      LYS  25  -2.665  -5.988 -11.159
  170    HZ3  LYS  25           HZ3      LYS  25  -4.139  -5.490 -10.644
  171    H    CYS  26           H        CYS  26  -3.715  -2.378  -5.950
  172    HA   CYS  26           HA       CYS  26  -4.908  -3.042  -3.292
  173    HB2  CYS  26           HB2      CYS  26  -4.706  -0.686  -3.427
  174    HB3  CYS  26           HB3      CYS  26  -5.328  -0.639  -5.077
  175    H    MET  27           H        MET  27  -6.244  -4.715  -3.454
  176    HA   MET  27           HA       MET  27  -7.244  -5.515  -6.087
  177    HB2  MET  27           HB2      MET  27  -7.575  -6.922  -3.428
  178    HB3  MET  27           HB3      MET  27  -7.811  -7.606  -5.036
  179    HG2  MET  27           HG2      MET  27  -5.196  -6.717  -3.764
  180    HG3  MET  27           HG3      MET  27  -5.703  -8.360  -4.170
  181    HE1  MET  27           HE1      MET  27  -3.471  -8.946  -5.374
  182    HE2  MET  27           HE2      MET  27  -2.688  -7.907  -6.593
  183    HE3  MET  27           HE3      MET  27  -2.841  -7.340  -4.907
  184    H    ASN  28           H        ASN  28  -8.681  -3.940  -3.386
  185    HA   ASN  28           HA       ASN  28 -10.996  -3.315  -4.930
  186    HB2  ASN  28           HB2      ASN  28 -12.771  -4.080  -3.457
  187    HB3  ASN  28           HB3      ASN  28 -11.932  -5.420  -4.181
  188   HD21  ASN  28          HD22      ASN  28 -13.627  -5.668  -1.952
  189   HD22  ASN  28          HD21      ASN  28 -12.659  -6.052  -0.536
  190    H    ARG  29           H        ARG  29 -10.834  -3.381  -1.372
  191    HA   ARG  29           HA       ARG  29  -9.973  -0.536  -1.309
  192    HB2  ARG  29           HB2      ARG  29 -11.326  -0.147   0.642
  193    HB3  ARG  29           HB3      ARG  29 -12.344  -0.628  -0.697
  194    HG2  ARG  29           HG2      ARG  29 -12.975  -2.627   0.264
  195    HG3  ARG  29           HG3      ARG  29 -11.470  -2.842   1.152
  196    HD2  ARG  29           HD2      ARG  29 -13.433  -0.640   1.846
  197    HD3  ARG  29           HD3      ARG  29 -13.574  -2.264   2.525
  198    HE   ARG  29           HE       ARG  29 -11.580  -0.221   3.170
  199   HH11  ARG  29          HH11      ARG  29 -12.520  -3.577   3.694
  200   HH12  ARG  29          HH12      ARG  29 -11.604  -3.638   5.158
  201   HH21  ARG  29          HH21      ARG  29 -10.293  -0.526   4.991
  202   HH22  ARG  29          HH22      ARG  29 -10.071  -2.160   5.596
  203    H    LYS  30           H        LYS  30  -8.900  -3.551  -0.789
  204    HA   LYS  30           HA       LYS  30  -7.172  -2.798   1.535
  205    HB2  LYS  30           HB2      LYS  30  -8.199  -5.520   0.671
  206    HB3  LYS  30           HB3      LYS  30  -6.940  -5.272   1.894
  207    HG2  LYS  30           HG2      LYS  30  -8.502  -3.861   3.227
  208    HG3  LYS  30           HG3      LYS  30  -9.787  -4.176   2.057
  209    HD2  LYS  30           HD2      LYS  30  -8.371  -6.298   3.709
  210    HD3  LYS  30           HD3      LYS  30  -9.947  -5.582   4.086
  211    HE2  LYS  30           HE2      LYS  30 -10.819  -6.413   1.888
  212    HE3  LYS  30           HE3      LYS  30  -9.271  -7.211   1.597
  213    HZ1  LYS  30           HZ1      LYS  30 -10.783  -8.798   2.565
  214    HZ2  LYS  30           HZ2      LYS  30  -9.665  -8.422   3.730
  215    HZ3  LYS  30           HZ3      LYS  30 -11.165  -7.786   3.800
  216    H    CYS  31           H        CYS  31  -5.027  -3.673   1.556
  217    HA   CYS  31           HA       CYS  31  -3.727  -3.311  -1.111
  218    HB2  CYS  31           HB2      CYS  31  -3.334  -1.422   0.184
  219    HB3  CYS  31           HB3      CYS  31  -3.368  -2.319   1.671
  220    H    LYS  32           H        LYS  32  -1.725  -4.217  -1.503
  221    HA   LYS  32           HA       LYS  32  -0.787  -6.528   0.123
  222    HB2  LYS  32           HB2      LYS  32  -1.389  -6.518  -2.872
  223    HB3  LYS  32           HB3      LYS  32  -0.351  -7.699  -2.108
  224    HG2  LYS  32           HG2      LYS  32  -3.306  -7.286  -1.511
  225    HG3  LYS  32           HG3      LYS  32  -2.615  -8.575  -2.483
  226    HD2  LYS  32           HD2      LYS  32  -2.150  -8.191   0.511
  227    HD3  LYS  32           HD3      LYS  32  -3.235  -9.350  -0.248
  228    HE2  LYS  32           HE2      LYS  32  -1.242 -10.370  -1.418
  229    HE3  LYS  32           HE3      LYS  32  -0.201  -9.273  -0.502
  230    HZ1  LYS  32           HZ1      LYS  32  -1.099 -10.288   1.552
  231    HZ2  LYS  32           HZ2      LYS  32  -1.998 -11.333   0.651
  232    HZ3  LYS  32           HZ3      LYS  32  -0.365 -11.403   0.577
  233    H    CYS  33           H        CYS  33   1.287  -6.219   0.593
  234    HA   CYS  33           HA       CYS  33   2.843  -4.197  -0.939
  235    HB2  CYS  33           HB2      CYS  33   3.440  -5.415   1.771
  236    HB3  CYS  33           HB3      CYS  33   4.171  -3.984   1.039
  237    H    TYR  34           H        TYR  34   4.095  -4.939  -2.557
  238    HA   TYR  34           HA       TYR  34   4.341  -7.724  -3.013
  239    HB2  TYR  34           HB2      TYR  34   5.642  -5.358  -4.390
  240    HB3  TYR  34           HB3      TYR  34   5.730  -7.008  -4.970
  241    HD1  TYR  34           HD2      TYR  34   2.673  -7.736  -4.418
  242    HD2  TYR  34           HD1      TYR  34   4.776  -4.525  -6.413
  243    HE1  TYR  34           HE2      TYR  34   0.894  -7.613  -6.129
  244    HE2  TYR  34           HE1      TYR  34   2.948  -4.368  -8.072
  245    HH   TYR  34           HH       TYR  34   1.016  -5.259  -8.837
  246    H    TYR  35           H        TYR  35   7.096  -5.480  -2.392
  247    HA   TYR  35           HA       TYR  35   8.863  -7.890  -2.095
  248    HB2  TYR  35           HB2      TYR  35   9.586  -5.366  -3.605
  249    HB3  TYR  35           HB3      TYR  35  10.474  -6.881  -3.556
  250    HD1  TYR  35           HD2      TYR  35   8.950  -9.014  -4.363
  251    HD2  TYR  35           HD1      TYR  35   8.483  -4.902  -5.602
  252    HE1  TYR  35           HE2      TYR  35   7.778  -9.765  -6.417
  253    HE2  TYR  35           HE1      TYR  35   7.279  -5.658  -7.638
  254    HH   TYR  35           HH       TYR  35   6.750  -9.133  -8.340
  255    H    CYS  36           H        CYS  36   7.941  -6.472   0.206
  256    HA   CYS  36           HA       CYS  36  10.444  -5.310   1.277
  257    HB2  CYS  36           HB2      CYS  36   9.220  -3.293   1.758
  258    HB3  CYS  36           HB3      CYS  36   9.023  -3.649   0.067
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1   5.181  -5.988   4.192
    2    H2   ALA   1           H2       ALA   1   4.601  -6.505   5.655
    3    H3   ALA   1           H3       ALA   1   4.653  -4.908   5.316
    4    HA   ALA   1           HA       ALA   1   3.027  -5.105   3.601
    5    HB1  ALA   1           HB1      ALA   1   2.956  -8.041   4.431
    6    HB2  ALA   1           HB2      ALA   1   1.854  -7.267   3.278
    7    HB3  ALA   1           HB3      ALA   1   3.573  -7.414   2.889
    8    H    ALA   2           H        ALA   2   0.968  -4.365   4.283
    9    HA   ALA   2           HA       ALA   2  -0.083  -5.249   6.865
   10    HB1  ALA   2           HB1      ALA   2   0.490  -2.317   6.272
   11    HB2  ALA   2           HB2      ALA   2  -0.392  -2.954   7.677
   12    HB3  ALA   2           HB3      ALA   2   1.333  -3.320   7.475
   13    H    ALA   3           H        ALA   3  -2.376  -5.049   6.957
   14    HA   ALA   3           HA       ALA   3  -3.606  -4.754   4.277
   15    HB1  ALA   3           HB1      ALA   3  -5.536  -5.790   5.303
   16    HB2  ALA   3           HB2      ALA   3  -4.065  -6.783   5.507
   17    HB3  ALA   3           HB3      ALA   3  -4.700  -5.823   6.878
   18    H    ILE   4           H        ILE   4  -3.565  -2.540   4.010
   19    HA   ILE   4           HA       ILE   4  -4.886  -0.843   6.023
   20    HB   ILE   4           HB       ILE   4  -3.788   1.004   4.967
   21   HG12  ILE   4          HG12      ILE   4  -1.664   0.122   3.624
   22   HG13  ILE   4          HG13      ILE   4  -2.756  -1.148   3.091
   23   HG21  ILE   4          HG21      ILE   4  -1.638   0.557   5.784
   24   HG22  ILE   4          HG22      ILE   4  -2.839  -0.147   6.896
   25   HG23  ILE   4          HG23      ILE   4  -1.916  -1.209   5.798
   26   HD11  ILE   4          HD11      ILE   4  -4.293   0.507   2.208
   27   HD12  ILE   4          HD12      ILE   4  -3.322   1.809   2.943
   28   HD13  ILE   4          HD13      ILE   4  -2.665   0.855   1.605
   29    H    SER   5           H        SER   5  -6.291   0.782   5.445
   30    HA   SER   5           HA       SER   5  -8.223   0.338   3.345
   31    HB2  SER   5           HB2      SER   5  -7.571   2.827   4.958
   32    HB3  SER   5           HB3      SER   5  -9.028   2.568   3.986
   33    HG   SER   5           HG       SER   5  -9.288   2.125   6.211
   34    H    CYS   6           H        CYS   6  -7.624   0.393   1.286
   35    HA   CYS   6           HA       CYS   6  -5.537   1.930   0.095
   36    HB2  CYS   6           HB2      CYS   6  -6.783  -0.078  -0.820
   37    HB3  CYS   6           HB3      CYS   6  -8.127   1.003  -1.177
   38    H    VAL   7           H        VAL   7  -8.898   2.762   0.783
   39    HA   VAL   7           HA       VAL   7  -9.388   4.739  -1.089
   40    HB   VAL   7           HB       VAL   7 -10.904   3.473   0.495
   41   HG11  VAL   7          HG11      VAL   7 -10.491   5.824   2.385
   42   HG12  VAL   7          HG12      VAL   7 -11.586   4.445   2.573
   43   HG13  VAL   7          HG13      VAL   7  -9.844   4.187   2.645
   44   HG21  VAL   7          HG21      VAL   7 -11.707   5.200  -1.077
   45   HG22  VAL   7          HG22      VAL   7 -12.688   5.027   0.383
   46   HG23  VAL   7          HG23      VAL   7 -11.580   6.401   0.230
   47    H    GLY   8           H        GLY   8  -7.556   5.148   1.809
   48    HA2  GLY   8           HA2      GLY   8  -7.957   7.593   2.820
   49    HA3  GLY   8           HA3      GLY   8  -6.367   6.836   2.682
   50    H    SER   9           H        SER   9  -4.805   7.728   1.570
   51    HA   SER   9           HA       SER   9  -5.418  10.184  -0.066
   52    HB2  SER   9           HB2      SER   9  -3.468   9.818   2.185
   53    HB3  SER   9           HB3      SER   9  -3.156  10.998   0.882
   54    HG   SER   9           HG       SER   9  -4.275  11.938   2.619
   55    HA   PRO  10           HA       PRO  10  -2.021   7.755  -2.309
   56    HB2  PRO  10           HB2      PRO  10  -0.383   6.042  -1.086
   57    HB3  PRO  10           HB3      PRO  10  -0.100   7.813  -0.904
   58    HG2  PRO  10           HG2      PRO  10  -1.572   5.924   0.960
   59    HG3  PRO  10           HG3      PRO  10  -0.257   7.067   1.405
   60    HD2  PRO  10           HD2      PRO  10  -2.940   7.650   1.685
   61    HD3  PRO  10           HD3      PRO  10  -1.716   8.889   1.235
   62    H    GLU  11           H        GLU  11  -1.694   5.314  -2.978
   63    HA   GLU  11           HA       GLU  11  -4.179   3.815  -2.441
   64    HB2  GLU  11           HB2      GLU  11  -1.808   3.213  -4.250
   65    HB3  GLU  11           HB3      GLU  11  -3.230   2.189  -4.060
   66    HG2  GLU  11           HG2      GLU  11  -4.681   4.020  -4.906
   67    HG3  GLU  11           HG3      GLU  11  -3.236   5.023  -5.149
   68    H    CYS  12           H        CYS  12  -0.902   2.412  -2.627
   69    HA   CYS  12           HA       CYS  12  -1.575   0.855  -0.169
   70    HB2  CYS  12           HB2      CYS  12  -2.299  -0.304  -2.064
   71    HB3  CYS  12           HB3      CYS  12  -0.775  -0.153  -2.882
   72    HA   PRO  13           HA       PRO  13   2.989   0.002  -0.118
   73    HB2  PRO  13           HB2      PRO  13   4.760   1.474  -1.715
   74    HB3  PRO  13           HB3      PRO  13   4.218  -0.204  -1.949
   75    HG2  PRO  13           HG2      PRO  13   3.283   2.294  -3.314
   76    HG3  PRO  13           HG3      PRO  13   3.336   0.626  -3.938
   77    HD2  PRO  13           HD2      PRO  13   1.033   1.881  -3.070
   78    HD3  PRO  13           HD3      PRO  13   1.283   0.112  -3.043
   79    HA   PRO  14           HA       PRO  14   4.569   4.202   1.369
   80    HB2  PRO  14           HB2      PRO  14   3.363   6.559   0.932
   81    HB3  PRO  14           HB3      PRO  14   4.380   5.794  -0.336
   82    HG2  PRO  14           HG2      PRO  14   1.389   5.573   0.017
   83    HG3  PRO  14           HG3      PRO  14   2.258   6.117  -1.461
   84    HD2  PRO  14           HD2      PRO  14   1.416   3.561  -1.158
   85    HD3  PRO  14           HD3      PRO  14   3.018   3.914  -1.899
   86    H    LYS  15           H        LYS  15   1.368   3.043   1.583
   87    HA   LYS  15           HA       LYS  15   0.966   4.270   4.271
   88    HB2  LYS  15           HB2      LYS  15  -0.813   4.316   2.299
   89    HB3  LYS  15           HB3      LYS  15  -1.189   2.692   2.890
   90    HG2  LYS  15           HG2      LYS  15  -1.435   3.744   5.206
   91    HG3  LYS  15           HG3      LYS  15  -1.178   5.313   4.456
   92    HD2  LYS  15           HD2      LYS  15  -3.600   3.495   4.187
   93    HD3  LYS  15           HD3      LYS  15  -3.463   5.064   4.908
   94    HE2  LYS  15           HE2      LYS  15  -4.424   5.758   3.030
   95    HE3  LYS  15           HE3      LYS  15  -2.754   5.845   2.482
   96    HZ1  LYS  15           HZ1      LYS  15  -4.167   4.736   0.833
   97    HZ2  LYS  15           HZ2      LYS  15  -3.144   3.623   1.384
   98    HZ3  LYS  15           HZ3      LYS  15  -4.694   3.649   1.949
   99    H    CYS  16           H        CYS  16   2.182   1.403   2.902
  100    HA   CYS  16           HA       CYS  16   1.245  -0.481   4.867
  101    HB2  CYS  16           HB2      CYS  16   3.661  -0.505   3.020
  102    HB3  CYS  16           HB3      CYS  16   3.152  -1.879   4.005
  103    H    ARG  17           H        ARG  17   3.834   1.866   5.010
  104    HA   ARG  17           HA       ARG  17   4.419   1.249   7.834
  105    HB2  ARG  17           HB2      ARG  17   6.754   1.633   5.921
  106    HB3  ARG  17           HB3      ARG  17   6.791   1.185   7.612
  107    HG2  ARG  17           HG2      ARG  17   5.691  -0.978   6.980
  108    HG3  ARG  17           HG3      ARG  17   5.899  -0.479   5.266
  109    HD2  ARG  17           HD2      ARG  17   8.309  -0.368   5.584
  110    HD3  ARG  17           HD3      ARG  17   8.142  -0.800   7.293
  111    HE   ARG  17           HE       ARG  17   7.188  -2.594   5.098
  112   HH11  ARG  17          HH11      ARG  17   9.043  -2.373   8.127
  113   HH12  ARG  17          HH12      ARG  17   9.531  -4.051   7.963
  114   HH21  ARG  17          HH21      ARG  17   7.874  -4.807   5.142
  115   HH22  ARG  17          HH22      ARG  17   8.894  -5.263   6.487
  116    H    ALA  18           H        ALA  18   5.974   3.140   8.676
  117    HA   ALA  18           HA       ALA  18   5.035   5.735   7.799
  118    HB1  ALA  18           HB1      ALA  18   5.935   5.266  10.062
  119    HB2  ALA  18           HB2      ALA  18   7.544   4.978   9.364
  120    HB3  ALA  18           HB3      ALA  18   6.799   6.589   9.260
  121    H    GLN  19           H        GLN  19   7.980   3.822   7.076
  122    HA   GLN  19           HA       GLN  19   8.861   5.725   4.998
  123    HB2  GLN  19           HB2      GLN  19  10.815   4.417   4.806
  124    HB3  GLN  19           HB3      GLN  19  10.531   4.829   6.487
  125    HG2  GLN  19           HG2      GLN  19   9.622   2.128   5.385
  126    HG3  GLN  19           HG3      GLN  19  11.294   2.448   5.762
  127   HE21  GLN  19          HE22      GLN  19  10.818   0.525   7.263
  128   HE22  GLN  19          HE21      GLN  19  10.327   1.002   8.893
  129    H    GLY  20           H        GLY  20   6.510   3.569   4.957
  130    HA2  GLY  20           HA2      GLY  20   5.475   2.140   3.545
  131    HA3  GLY  20           HA3      GLY  20   6.122   3.169   2.239
  132    H    CYS  21           H        CYS  21   6.256   1.470   0.839
  133    HA   CYS  21           HA       CYS  21   8.237  -0.692   1.318
  134    HB2  CYS  21           HB2      CYS  21   5.241  -0.868   0.904
  135    HB3  CYS  21           HB3      CYS  21   6.257  -2.139   0.262
  136    H    LYS  22           H        LYS  22   8.771  -1.959  -0.515
  137    HA   LYS  22           HA       LYS  22   9.670  -0.391  -2.650
  138    HB2  LYS  22           HB2      LYS  22   9.290  -3.418  -2.682
  139    HB3  LYS  22           HB3      LYS  22  10.399  -2.476  -3.686
  140    HG2  LYS  22           HG2      LYS  22  11.595  -1.742  -1.583
  141    HG3  LYS  22           HG3      LYS  22  10.505  -2.807  -0.667
  142    HD2  LYS  22           HD2      LYS  22  11.348  -4.747  -2.018
  143    HD3  LYS  22           HD3      LYS  22  12.505  -3.671  -2.791
  144    HE2  LYS  22           HE2      LYS  22  13.564  -4.950  -1.015
  145    HE3  LYS  22           HE3      LYS  22  13.584  -3.227  -0.611
  146    HZ1  LYS  22           HZ1      LYS  22  11.517  -5.085   0.427
  147    HZ2  LYS  22           HZ2      LYS  22  12.921  -4.817   1.236
  148    HZ3  LYS  22           HZ3      LYS  22  11.876  -3.576   0.985
  149    H    ASN  23           H        ASN  23   6.838  -2.616  -2.731
  150    HA   ASN  23           HA       ASN  23   5.491  -0.778  -4.520
  151    HB2  ASN  23           HB2      ASN  23   6.972  -2.465  -5.939
  152    HB3  ASN  23           HB3      ASN  23   5.689  -3.606  -5.607
  153   HD21  ASN  23          HD22      ASN  23   6.606  -2.419  -8.157
  154   HD22  ASN  23          HD21      ASN  23   5.136  -1.711  -8.842
  155    H    GLY  24           H        GLY  24   3.199  -1.829  -5.068
  156    HA2  GLY  24           HA2      GLY  24   2.028  -3.864  -3.526
  157    HA3  GLY  24           HA3      GLY  24   1.839  -2.373  -2.597
  158    H    LYS  25           H        LYS  25  -0.331  -3.869  -3.671
  159    HA   LYS  25           HA       LYS  25  -1.581  -1.884  -5.518
  160    HB2  LYS  25           HB2      LYS  25  -0.466  -3.716  -6.848
  161    HB3  LYS  25           HB3      LYS  25  -1.463  -4.889  -5.995
  162    HG2  LYS  25           HG2      LYS  25  -2.495  -4.599  -8.068
  163    HG3  LYS  25           HG3      LYS  25  -3.503  -3.695  -6.957
  164    HD2  LYS  25           HD2      LYS  25  -2.251  -1.592  -7.735
  165    HD3  LYS  25           HD3      LYS  25  -1.458  -2.612  -8.947
  166    HE2  LYS  25           HE2      LYS  25  -3.711  -3.323  -9.778
  167    HE3  LYS  25           HE3      LYS  25  -4.485  -2.260  -8.594
  168    HZ1  LYS  25           HZ1      LYS  25  -4.385  -1.299 -10.813
  169    HZ2  LYS  25           HZ2      LYS  25  -3.552  -0.354  -9.761
  170    HZ3  LYS  25           HZ3      LYS  25  -2.734  -1.323 -10.803
  171    H    CYS  26           H        CYS  26  -3.849  -1.763  -5.354
  172    HA   CYS  26           HA       CYS  26  -5.044  -3.147  -3.025
  173    HB2  CYS  26           HB2      CYS  26  -6.214  -0.972  -4.758
  174    HB3  CYS  26           HB3      CYS  26  -6.845  -1.573  -3.229
  175    H    MET  27           H        MET  27  -6.759  -4.560  -3.105
  176    HA   MET  27           HA       MET  27  -7.257  -5.842  -5.745
  177    HB2  MET  27           HB2      MET  27  -8.145  -6.707  -2.991
  178    HB3  MET  27           HB3      MET  27  -8.285  -7.639  -4.481
  179    HG2  MET  27           HG2      MET  27  -5.659  -6.816  -3.162
  180    HG3  MET  27           HG3      MET  27  -6.456  -8.362  -3.005
  181    HE1  MET  27           HE1      MET  27  -4.992  -6.005  -6.045
  182    HE2  MET  27           HE2      MET  27  -3.815  -6.399  -4.765
  183    HE3  MET  27           HE3      MET  27  -3.656  -7.114  -6.384
  184    H    ASN  28           H        ASN  28  -9.394  -4.826  -3.001
  185    HA   ASN  28           HA       ASN  28 -11.133  -3.521  -5.037
  186    HB2  ASN  28           HB2      ASN  28 -12.142  -5.657  -4.137
  187    HB3  ASN  28           HB3      ASN  28 -12.254  -4.877  -2.566
  188   HD21  ASN  28          HD22      ASN  28 -13.373  -4.768  -5.941
  189   HD22  ASN  28          HD21      ASN  28 -14.849  -3.882  -5.558
  190    H    ARG  29           H        ARG  29 -10.957  -3.477  -1.464
  191    HA   ARG  29           HA       ARG  29 -10.108  -0.619  -1.627
  192    HB2  ARG  29           HB2      ARG  29 -11.517   0.019   0.215
  193    HB3  ARG  29           HB3      ARG  29 -12.452  -0.560  -1.151
  194    HG2  ARG  29           HG2      ARG  29 -12.808  -2.748   0.000
  195    HG3  ARG  29           HG3      ARG  29 -11.795  -2.197   1.345
  196    HD2  ARG  29           HD2      ARG  29 -14.087  -1.944   1.969
  197    HD3  ARG  29           HD3      ARG  29 -13.374  -0.331   1.766
  198    HE   ARG  29           HE       ARG  29 -14.476  -0.714  -0.691
  199   HH11  ARG  29          HH11      ARG  29 -16.028  -1.239   2.437
  200   HH12  ARG  29          HH12      ARG  29 -17.598  -0.859   1.784
  201   HH21  ARG  29          HH21      ARG  29 -16.386  -0.354  -1.428
  202   HH22  ARG  29          HH22      ARG  29 -17.820  -0.377  -0.395
  203    H    LYS  30           H        LYS  30  -9.337  -3.655  -0.436
  204    HA   LYS  30           HA       LYS  30  -7.392  -2.403   1.486
  205    HB2  LYS  30           HB2      LYS  30  -8.345  -5.276   1.390
  206    HB3  LYS  30           HB3      LYS  30  -7.081  -4.656   2.450
  207    HG2  LYS  30           HG2      LYS  30 -10.009  -3.802   2.487
  208    HG3  LYS  30           HG3      LYS  30  -9.227  -4.903   3.615
  209    HD2  LYS  30           HD2      LYS  30  -7.741  -3.055   4.397
  210    HD3  LYS  30           HD3      LYS  30  -8.593  -1.936   3.298
  211    HE2  LYS  30           HE2      LYS  30 -10.724  -2.426   4.434
  212    HE3  LYS  30           HE3      LYS  30  -9.905  -3.549   5.518
  213    HZ1  LYS  30           HZ1      LYS  30  -9.450  -0.608   5.418
  214    HZ2  LYS  30           HZ2      LYS  30 -10.213  -1.432   6.590
  215    HZ3  LYS  30           HZ3      LYS  30  -8.610  -1.660   6.381
  216    H    CYS  31           H        CYS  31  -5.342  -3.269   1.590
  217    HA   CYS  31           HA       CYS  31  -4.138  -3.323  -1.128
  218    HB2  CYS  31           HB2      CYS  31  -3.667  -1.285  -0.169
  219    HB3  CYS  31           HB3      CYS  31  -3.724  -1.934   1.444
  220    H    LYS  32           H        LYS  32  -2.608  -4.690  -1.720
  221    HA   LYS  32           HA       LYS  32  -1.420  -6.628   0.235
  222    HB2  LYS  32           HB2      LYS  32  -2.773  -7.816  -1.391
  223    HB3  LYS  32           HB3      LYS  32  -2.008  -6.962  -2.739
  224    HG2  LYS  32           HG2      LYS  32   0.150  -7.990  -2.271
  225    HG3  LYS  32           HG3      LYS  32  -0.461  -8.736  -0.795
  226    HD2  LYS  32           HD2      LYS  32  -1.516  -9.375  -3.587
  227    HD3  LYS  32           HD3      LYS  32  -0.236 -10.286  -2.766
  228    HE2  LYS  32           HE2      LYS  32  -1.755 -10.741  -0.873
  229    HE3  LYS  32           HE3      LYS  32  -3.060  -9.894  -1.714
  230    HZ1  LYS  32           HZ1      LYS  32  -3.250 -12.287  -2.141
  231    HZ2  LYS  32           HZ2      LYS  32  -2.811 -11.549  -3.546
  232    HZ3  LYS  32           HZ3      LYS  32  -1.706 -12.369  -2.683
  233    H    CYS  33           H        CYS  33   0.511  -6.006   0.743
  234    HA   CYS  33           HA       CYS  33   2.048  -4.202  -1.035
  235    HB2  CYS  33           HB2      CYS  33   1.809  -4.442   1.786
  236    HB3  CYS  33           HB3      CYS  33   3.491  -4.800   1.367
  237    H    TYR  34           H        TYR  34   4.094  -4.609  -1.876
  238    HA   TYR  34           HA       TYR  34   4.758  -7.508  -2.153
  239    HB2  TYR  34           HB2      TYR  34   5.000  -5.319  -4.216
  240    HB3  TYR  34           HB3      TYR  34   5.446  -6.995  -4.432
  241    HD1  TYR  34           HD1      TYR  34   3.277  -8.605  -3.489
  242    HD2  TYR  34           HD2      TYR  34   3.128  -4.851  -5.640
  243    HE1  TYR  34           HE1      TYR  34   1.117  -9.276  -4.555
  244    HE2  TYR  34           HE2      TYR  34   1.014  -5.523  -6.660
  245    HH   TYR  34           HH       TYR  34  -0.415  -7.204  -7.038
  246    H    TYR  35           H        TYR  35   6.780  -8.123  -2.288
  247    HA   TYR  35           HA       TYR  35   8.910  -8.320  -1.535
  248    HB2  TYR  35           HB2      TYR  35   9.164  -5.705  -3.033
  249    HB3  TYR  35           HB3      TYR  35  10.500  -6.786  -2.621
  250    HD1  TYR  35           HD2      TYR  35  10.766  -8.970  -3.743
  251    HD2  TYR  35           HD1      TYR  35   7.690  -6.176  -4.893
  252    HE1  TYR  35           HE2      TYR  35  10.488 -10.166  -5.902
  253    HE2  TYR  35           HE1      TYR  35   7.367  -7.422  -7.035
  254    HH   TYR  35           HH       TYR  35   9.300 -10.326  -7.827
  255    H    CYS  36           H        CYS  36   7.097  -6.844   0.338
  256    HA   CYS  36           HA       CYS  36   8.975  -5.864   2.338
  257    HB2  CYS  36           HB2      CYS  36   8.944  -4.020   0.734
  258    HB3  CYS  36           HB3      CYS  36   7.186  -4.011   0.740
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1   4.236  -7.614   4.102
    2    H2   ALA   1           H2       ALA   1   4.060  -6.403   3.019
    3    H3   ALA   1           H3       ALA   1   3.927  -7.960   2.519
    4    HA   ALA   1           HA       ALA   1   1.773  -6.956   2.659
    5    HB1  ALA   1           HB1      ALA   1   0.722  -8.698   4.075
    6    HB2  ALA   1           HB2      ALA   1   1.981  -9.378   3.018
    7    HB3  ALA   1           HB3      ALA   1   2.308  -9.115   4.747
    8    H    ALA   2           H        ALA   2   0.302  -5.582   3.704
    9    HA   ALA   2           HA       ALA   2   0.258  -5.341   6.558
   10    HB1  ALA   2           HB1      ALA   2   1.128  -2.911   4.908
   11    HB2  ALA   2           HB2      ALA   2   0.642  -2.877   6.616
   12    HB3  ALA   2           HB3      ALA   2   2.115  -3.735   6.131
   13    H    ALA   3           H        ALA   3  -1.974  -5.409   6.837
   14    HA   ALA   3           HA       ALA   3  -3.672  -4.660   4.580
   15    HB1  ALA   3           HB1      ALA   3  -5.521  -5.313   5.979
   16    HB2  ALA   3           HB2      ALA   3  -4.275  -6.574   5.847
   17    HB3  ALA   3           HB3      ALA   3  -4.412  -5.600   7.348
   18    H    ILE   4           H        ILE   4  -3.764  -2.672   4.134
   19    HA   ILE   4           HA       ILE   4  -4.745  -0.655   6.107
   20    HB   ILE   4           HB       ILE   4  -3.475   1.019   4.852
   21   HG12  ILE   4          HG12      ILE   4  -1.362  -0.454   3.789
   22   HG13  ILE   4          HG13      ILE   4  -2.751  -1.334   3.195
   23   HG21  ILE   4          HG21      ILE   4  -1.746  -1.122   6.100
   24   HG22  ILE   4          HG22      ILE   4  -1.357   0.601   5.848
   25   HG23  ILE   4          HG23      ILE   4  -2.651   0.141   6.982
   26   HD11  ILE   4          HD11      ILE   4  -2.077   0.463   1.652
   27   HD12  ILE   4          HD12      ILE   4  -3.722   0.711   2.294
   28   HD13  ILE   4          HD13      ILE   4  -2.347   1.637   2.955
   29    H    SER   5           H        SER   5  -6.025   1.056   5.226
   30    HA   SER   5           HA       SER   5  -7.867   0.375   3.108
   31    HB2  SER   5           HB2      SER   5  -7.262   2.930   4.627
   32    HB3  SER   5           HB3      SER   5  -8.440   2.857   3.301
   33    HG   SER   5           HG       SER   5  -8.896   2.249   5.776
   34    H    CYS   6           H        CYS   6  -7.409   0.335   1.050
   35    HA   CYS   6           HA       CYS   6  -5.234   1.801  -0.255
   36    HB2  CYS   6           HB2      CYS   6  -6.901  -0.367  -0.916
   37    HB3  CYS   6           HB3      CYS   6  -7.426   0.925  -1.983
   38    H    VAL   7           H        VAL   7  -8.690   2.265   0.264
   39    HA   VAL   7           HA       VAL   7  -9.196   4.564  -1.320
   40    HB   VAL   7           HB       VAL   7 -11.170   4.833   0.188
   41   HG11  VAL   7          HG11      VAL   7 -10.634   2.018  -0.809
   42   HG12  VAL   7          HG12      VAL   7 -12.221   2.719  -0.447
   43   HG13  VAL   7          HG13      VAL   7 -11.244   3.380  -1.767
   44   HG21  VAL   7          HG21      VAL   7 -10.180   4.037   2.335
   45   HG22  VAL   7          HG22      VAL   7 -11.660   3.195   1.892
   46   HG23  VAL   7          HG23      VAL   7 -10.110   2.380   1.668
   47    H    GLY   8           H        GLY   8  -7.160   4.535   1.307
   48    HA2  GLY   8           HA2      GLY   8  -7.899   6.627   3.022
   49    HA3  GLY   8           HA3      GLY   8  -6.250   6.119   2.596
   50    H    SER   9           H        SER   9  -5.055   7.111   1.038
   51    HA   SER   9           HA       SER   9  -6.168   9.397  -0.454
   52    HB2  SER   9           HB2      SER   9  -4.118   9.682   1.731
   53    HB3  SER   9           HB3      SER   9  -4.121  10.799   0.338
   54    HG   SER   9           HG       SER   9  -5.916  10.456   2.452
   55    HA   PRO  10           HA       PRO  10  -2.236   7.802  -2.625
   56    HB2  PRO  10           HB2      PRO  10  -0.259   6.516  -1.343
   57    HB3  PRO  10           HB3      PRO  10  -0.381   8.304  -1.201
   58    HG2  PRO  10           HG2      PRO  10  -1.474   6.195   0.682
   59    HG3  PRO  10           HG3      PRO  10  -0.403   7.556   1.130
   60    HD2  PRO  10           HD2      PRO  10  -3.138   7.661   1.367
   61    HD3  PRO  10           HD3      PRO  10  -2.177   9.105   0.860
   62    H    GLU  11           H        GLU  11  -1.589   5.495  -3.359
   63    HA   GLU  11           HA       GLU  11  -3.812   3.698  -2.874
   64    HB2  GLU  11           HB2      GLU  11  -1.295   3.140  -4.503
   65    HB3  GLU  11           HB3      GLU  11  -2.786   2.234  -4.502
   66    HG2  GLU  11           HG2      GLU  11  -2.641   3.580  -6.491
   67    HG3  GLU  11           HG3      GLU  11  -3.982   4.109  -5.481
   68    H    CYS  12           H        CYS  12  -0.328   2.840  -2.734
   69    HA   CYS  12           HA       CYS  12  -0.927   1.077  -0.389
   70    HB2  CYS  12           HB2      CYS  12  -0.205   0.272  -3.181
   71    HB3  CYS  12           HB3      CYS  12   0.418  -0.666  -1.818
   72    HA   PRO  13           HA       PRO  13   3.714   0.493  -0.530
   73    HB2  PRO  13           HB2      PRO  13   5.255   2.237  -2.171
   74    HB3  PRO  13           HB3      PRO  13   4.927   0.496  -2.385
   75    HG2  PRO  13           HG2      PRO  13   3.615   2.850  -3.680
   76    HG3  PRO  13           HG3      PRO  13   3.871   1.197  -4.316
   77    HD2  PRO  13           HD2      PRO  13   1.449   2.075  -3.416
   78    HD3  PRO  13           HD3      PRO  13   1.989   0.386  -3.279
   79    HA   PRO  14           HA       PRO  14   4.963   4.732   1.161
   80    HB2  PRO  14           HB2      PRO  14   3.528   7.006   0.793
   81    HB3  PRO  14           HB3      PRO  14   4.678   6.391  -0.439
   82    HG2  PRO  14           HG2      PRO  14   1.680   5.944  -0.319
   83    HG3  PRO  14           HG3      PRO  14   2.637   6.568  -1.706
   84    HD2  PRO  14           HD2      PRO  14   1.959   3.945  -1.508
   85    HD3  PRO  14           HD3      PRO  14   3.570   4.443  -2.127
   86    H    LYS  15           H        LYS  15   1.690   3.566   1.274
   87    HA   LYS  15           HA       LYS  15   1.167   4.788   3.939
   88    HB2  LYS  15           HB2      LYS  15  -0.544   4.747   2.027
   89    HB3  LYS  15           HB3      LYS  15  -0.750   3.029   2.403
   90    HG2  LYS  15           HG2      LYS  15  -1.193   3.804   4.836
   91    HG3  LYS  15           HG3      LYS  15  -1.167   5.444   4.209
   92    HD2  LYS  15           HD2      LYS  15  -3.303   3.348   3.846
   93    HD3  LYS  15           HD3      LYS  15  -3.386   4.957   4.505
   94    HE2  LYS  15           HE2      LYS  15  -4.366   5.353   2.512
   95    HE3  LYS  15           HE3      LYS  15  -2.704   5.759   2.107
   96    HZ1  LYS  15           HZ1      LYS  15  -4.123   3.218   1.520
   97    HZ2  LYS  15           HZ2      LYS  15  -3.683   4.326   0.408
   98    HZ3  LYS  15           HZ3      LYS  15  -2.533   3.450   1.136
   99    H    CYS  16           H        CYS  16   1.887   1.658   2.453
  100    HA   CYS  16           HA       CYS  16   0.952  -0.088   4.381
  101    HB2  CYS  16           HB2      CYS  16   3.286  -0.275   2.465
  102    HB3  CYS  16           HB3      CYS  16   2.806  -1.632   3.487
  103    H    ARG  17           H        ARG  17   4.019   1.724   4.694
  104    HA   ARG  17           HA       ARG  17   3.971   1.112   7.547
  105    HB2  ARG  17           HB2      ARG  17   6.205   0.379   7.771
  106    HB3  ARG  17           HB3      ARG  17   5.404  -0.707   6.613
  107    HG2  ARG  17           HG2      ARG  17   6.467   0.569   4.741
  108    HG3  ARG  17           HG3      ARG  17   7.340   1.548   5.934
  109    HD2  ARG  17           HD2      ARG  17   7.605  -1.449   5.600
  110    HD3  ARG  17           HD3      ARG  17   8.722  -0.214   4.987
  111    HE   ARG  17           HE       ARG  17   8.242   0.006   7.844
  112   HH11  ARG  17          HH21      ARG  17  10.508  -1.392   5.525
  113   HH12  ARG  17          HH22      ARG  17  11.471  -2.064   6.841
  114   HH21  ARG  17          HH11      ARG  17   9.540  -0.909   9.377
  115   HH22  ARG  17          HH12      ARG  17  11.028  -1.700   8.865
  116    H    ALA  18           H        ALA  18   5.635   2.419   8.723
  117    HA   ALA  18           HA       ALA  18   5.066   5.088   8.228
  118    HB1  ALA  18           HB1      ALA  18   7.245   3.824   9.932
  119    HB2  ALA  18           HB2      ALA  18   6.657   5.494  10.110
  120    HB3  ALA  18           HB3      ALA  18   5.573   4.118  10.414
  121    H    GLN  19           H        GLN  19   8.095   3.399   7.372
  122    HA   GLN  19           HA       GLN  19   9.030   5.805   5.879
  123    HB2  GLN  19           HB2      GLN  19  11.206   4.807   5.831
  124    HB3  GLN  19           HB3      GLN  19  10.579   4.843   7.476
  125    HG2  GLN  19           HG2      GLN  19   9.939   2.390   7.194
  126    HG3  GLN  19           HG3      GLN  19  10.777   2.413   5.642
  127   HE21  GLN  19          HE22      GLN  19  11.256   2.867   9.209
  128   HE22  GLN  19          HE21      GLN  19  12.971   2.510   9.126
  129    H    GLY  20           H        GLY  20   6.909   3.689   5.104
  130    HA2  GLY  20           HA2      GLY  20   6.017   2.777   3.286
  131    HA3  GLY  20           HA3      GLY  20   7.035   3.821   2.313
  132    H    CYS  21           H        CYS  21   6.261   1.655   1.248
  133    HA   CYS  21           HA       CYS  21   8.324  -0.492   1.431
  134    HB2  CYS  21           HB2      CYS  21   5.310  -0.503   1.142
  135    HB3  CYS  21           HB3      CYS  21   6.244  -1.835   0.509
  136    H    LYS  22           H        LYS  22   8.629  -1.781  -0.462
  137    HA   LYS  22           HA       LYS  22   9.374  -0.299  -2.698
  138    HB2  LYS  22           HB2      LYS  22   8.983  -3.316  -2.543
  139    HB3  LYS  22           HB3      LYS  22   9.985  -2.442  -3.709
  140    HG2  LYS  22           HG2      LYS  22  11.381  -1.603  -1.756
  141    HG3  LYS  22           HG3      LYS  22  10.447  -2.685  -0.699
  142    HD2  LYS  22           HD2      LYS  22  11.159  -4.613  -2.191
  143    HD3  LYS  22           HD3      LYS  22  12.165  -3.476  -3.078
  144    HE2  LYS  22           HE2      LYS  22  13.670  -4.495  -1.643
  145    HE3  LYS  22           HE3      LYS  22  13.339  -2.953  -0.847
  146    HZ1  LYS  22           HZ1      LYS  22  11.893  -4.135   0.702
  147    HZ2  LYS  22           HZ2      LYS  22  12.040  -5.534  -0.146
  148    HZ3  LYS  22           HZ3      LYS  22  13.337  -4.929   0.651
  149    H    ASN  23           H        ASN  23   6.491  -2.441  -2.531
  150    HA   ASN  23           HA       ASN  23   5.205  -1.022  -4.761
  151    HB2  ASN  23           HB2      ASN  23   6.698  -2.829  -5.811
  152    HB3  ASN  23           HB3      ASN  23   5.692  -4.015  -4.945
  153   HD21  ASN  23          HD22      ASN  23   5.456  -1.364  -7.381
  154   HD22  ASN  23          HD21      ASN  23   4.082  -2.124  -8.177
  155    H    GLY  24           H        GLY  24   3.012  -1.694  -5.076
  156    HA2  GLY  24           HA2      GLY  24   1.695  -3.730  -3.639
  157    HA3  GLY  24           HA3      GLY  24   1.480  -2.254  -2.708
  158    H    LYS  25           H        LYS  25  -0.615  -3.772  -3.823
  159    HA   LYS  25           HA       LYS  25  -1.891  -1.864  -5.736
  160    HB2  LYS  25           HB2      LYS  25  -1.341  -4.798  -6.185
  161    HB3  LYS  25           HB3      LYS  25  -2.894  -4.148  -6.725
  162    HG2  LYS  25           HG2      LYS  25  -1.711  -2.400  -8.034
  163    HG3  LYS  25           HG3      LYS  25  -0.156  -3.144  -7.607
  164    HD2  LYS  25           HD2      LYS  25  -0.818  -5.243  -8.699
  165    HD3  LYS  25           HD3      LYS  25  -2.436  -4.618  -9.017
  166    HE2  LYS  25           HE2      LYS  25   0.150  -3.561 -10.247
  167    HE3  LYS  25           HE3      LYS  25  -1.031  -4.616 -11.028
  168    HZ1  LYS  25           HZ1      LYS  25  -1.432  -1.817 -10.216
  169    HZ2  LYS  25           HZ2      LYS  25  -1.503  -2.438 -11.726
  170    HZ3  LYS  25           HZ3      LYS  25  -2.696  -2.799 -10.637
  171    H    CYS  26           H        CYS  26  -4.184  -1.830  -5.678
  172    HA   CYS  26           HA       CYS  26  -5.363  -2.602  -3.121
  173    HB2  CYS  26           HB2      CYS  26  -6.773  -1.629  -5.614
  174    HB3  CYS  26           HB3      CYS  26  -7.395  -1.649  -3.972
  175    H    MET  27           H        MET  27  -6.988  -4.168  -2.743
  176    HA   MET  27           HA       MET  27  -7.376  -6.265  -4.888
  177    HB2  MET  27           HB2      MET  27  -7.581  -6.542  -1.861
  178    HB3  MET  27           HB3      MET  27  -7.951  -7.797  -3.050
  179    HG2  MET  27           HG2      MET  27  -5.579  -7.631  -3.875
  180    HG3  MET  27           HG3      MET  27  -5.228  -6.568  -2.507
  181    HE1  MET  27           HE1      MET  27  -5.217  -7.341   0.038
  182    HE2  MET  27           HE2      MET  27  -6.917  -7.855  -0.078
  183    HE3  MET  27           HE3      MET  27  -5.702  -8.962   0.578
  184    H    ASN  28           H        ASN  28  -8.784  -4.118  -2.600
  185    HA   ASN  28           HA       ASN  28 -11.258  -3.786  -3.964
  186    HB2  ASN  28           HB2      ASN  28 -12.710  -4.431  -1.986
  187    HB3  ASN  28           HB3      ASN  28 -11.982  -5.773  -2.821
  188   HD21  ASN  28          HD22      ASN  28 -11.288  -7.359  -1.426
  189   HD22  ASN  28          HD21      ASN  28 -10.530  -7.027   0.132
  190    H    ARG  29           H        ARG  29 -12.125  -2.673  -1.096
  191    HA   ARG  29           HA       ARG  29 -10.690  -0.153  -1.183
  192    HB2  ARG  29           HB2      ARG  29 -11.691   0.294   1.031
  193    HB3  ARG  29           HB3      ARG  29 -12.853  -0.134  -0.204
  194    HG2  ARG  29           HG2      ARG  29 -13.148  -2.369   0.735
  195    HG3  ARG  29           HG3      ARG  29 -11.762  -2.150   1.822
  196    HD2  ARG  29           HD2      ARG  29 -12.901  -0.374   3.021
  197    HD3  ARG  29           HD3      ARG  29 -14.277  -0.453   1.913
  198    HE   ARG  29           HE       ARG  29 -15.014  -2.475   2.874
  199   HH11  ARG  29          HH11      ARG  29 -12.045  -1.430   4.544
  200   HH12  ARG  29          HH12      ARG  29 -12.401  -2.510   5.877
  201   HH21  ARG  29          HH21      ARG  29 -15.070  -4.040   4.431
  202   HH22  ARG  29          HH22      ARG  29 -13.996  -3.912   5.818
  203    H    LYS  30           H        LYS  30  -9.818  -3.202   0.209
  204    HA   LYS  30           HA       LYS  30  -7.609  -2.038   1.837
  205    HB2  LYS  30           HB2      LYS  30  -8.560  -4.903   1.424
  206    HB3  LYS  30           HB3      LYS  30  -7.135  -4.440   2.363
  207    HG2  LYS  30           HG2      LYS  30  -8.592  -2.989   3.806
  208    HG3  LYS  30           HG3      LYS  30 -10.008  -3.630   2.957
  209    HD2  LYS  30           HD2      LYS  30  -9.277  -5.964   3.652
  210    HD3  LYS  30           HD3      LYS  30  -7.947  -5.218   4.558
  211    HE2  LYS  30           HE2      LYS  30  -9.468  -5.359   6.261
  212    HE3  LYS  30           HE3      LYS  30  -9.879  -3.763   5.620
  213    HZ1  LYS  30           HZ1      LYS  30 -11.279  -6.335   5.061
  214    HZ2  LYS  30           HZ2      LYS  30 -11.895  -5.065   5.887
  215    HZ3  LYS  30           HZ3      LYS  30 -11.627  -4.974   4.253
  216    H    CYS  31           H        CYS  31  -5.552  -2.592   1.630
  217    HA   CYS  31           HA       CYS  31  -4.540  -2.828  -1.174
  218    HB2  CYS  31           HB2      CYS  31  -3.993  -0.790   0.089
  219    HB3  CYS  31           HB3      CYS  31  -3.495  -1.790   1.431
  220    H    LYS  32           H        LYS  32  -2.757  -4.119  -1.679
  221    HA   LYS  32           HA       LYS  32  -1.710  -6.051   0.334
  222    HB2  LYS  32           HB2      LYS  32  -3.058  -7.298  -1.219
  223    HB3  LYS  32           HB3      LYS  32  -2.313  -6.500  -2.611
  224    HG2  LYS  32           HG2      LYS  32  -0.171  -7.564  -2.151
  225    HG3  LYS  32           HG3      LYS  32  -0.786  -8.285  -0.660
  226    HD2  LYS  32           HD2      LYS  32  -2.040  -8.859  -3.380
  227    HD3  LYS  32           HD3      LYS  32  -0.641  -9.752  -2.770
  228    HE2  LYS  32           HE2      LYS  32  -1.861 -10.483  -0.795
  229    HE3  LYS  32           HE3      LYS  32  -3.279  -9.561  -1.268
  230    HZ1  LYS  32           HZ1      LYS  32  -3.385 -11.942  -1.865
  231    HZ2  LYS  32           HZ2      LYS  32  -3.499 -10.997  -3.229
  232    HZ3  LYS  32           HZ3      LYS  32  -2.088 -11.770  -2.844
  233    H    CYS  33           H        CYS  33   0.398  -5.803   0.708
  234    HA   CYS  33           HA       CYS  33   2.109  -4.339  -1.280
  235    HB2  CYS  33           HB2      CYS  33   1.892  -4.028   1.685
  236    HB3  CYS  33           HB3      CYS  33   3.496  -3.951   0.970
  237    H    TYR  34           H        TYR  34   3.707  -5.431  -2.130
  238    HA   TYR  34           HA       TYR  34   3.869  -8.263  -1.457
  239    HB2  TYR  34           HB2      TYR  34   5.058  -6.739  -3.792
  240    HB3  TYR  34           HB3      TYR  34   4.929  -8.483  -3.640
  241    HD1  TYR  34           HD2      TYR  34   2.660  -9.581  -3.649
  242    HD2  TYR  34           HD1      TYR  34   3.207  -5.398  -4.573
  243    HE1  TYR  34           HE2      TYR  34   0.459  -9.530  -4.821
  244    HE2  TYR  34           HE1      TYR  34   1.030  -5.350  -5.707
  245    HH   TYR  34           HH       TYR  34  -0.809  -6.611  -6.383
  246    H    TYR  35           H        TYR  35   6.561  -6.146  -2.480
  247    HA   TYR  35           HA       TYR  35   8.453  -8.009  -1.269
  248    HB2  TYR  35           HB2      TYR  35   8.915  -5.638  -3.093
  249    HB3  TYR  35           HB3      TYR  35  10.091  -6.882  -2.667
  250    HD1  TYR  35           HD2      TYR  35   9.303  -9.372  -3.057
  251    HD2  TYR  35           HD1      TYR  35   7.703  -5.956  -5.144
  252    HE1  TYR  35           HE2      TYR  35   8.368 -10.879  -4.808
  253    HE2  TYR  35           HE1      TYR  35   6.770  -7.466  -6.890
  254    HH   TYR  35           HH       TYR  35   6.580  -9.645  -7.636
  255    H    CYS  36           H        CYS  36   7.051  -6.536   0.679
  256    HA   CYS  36           HA       CYS  36   9.164  -5.604   2.398
  257    HB2  CYS  36           HB2      CYS  36   9.062  -3.630   1.058
  258    HB3  CYS  36           HB3      CYS  36   7.303  -3.666   1.003
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1   5.116  -3.733   7.152
    2    H2   ALA   1           H2       ALA   1   4.634  -5.294   7.167
    3    H3   ALA   1           H3       ALA   1   4.160  -4.285   8.371
    4    HA   ALA   1           HA       ALA   1   2.920  -2.948   6.798
    5    HB1  ALA   1           HB1      ALA   1   3.621  -5.181   4.830
    6    HB2  ALA   1           HB2      ALA   1   2.597  -3.775   4.508
    7    HB3  ALA   1           HB3      ALA   1   4.325  -3.550   4.815
    8    H    ALA   2           H        ALA   2   0.639  -3.656   5.926
    9    HA   ALA   2           HA       ALA   2  -0.352  -6.235   6.832
   10    HB1  ALA   2           HB1      ALA   2  -2.031  -5.170   8.348
   11    HB2  ALA   2           HB2      ALA   2  -0.377  -4.927   8.937
   12    HB3  ALA   2           HB3      ALA   2  -1.233  -3.597   8.114
   13    H    ALA   3           H        ALA   3  -2.895  -6.177   6.352
   14    HA   ALA   3           HA       ALA   3  -3.267  -4.879   3.728
   15    HB1  ALA   3           HB1      ALA   3  -5.414  -5.967   3.709
   16    HB2  ALA   3           HB2      ALA   3  -4.084  -7.121   4.007
   17    HB3  ALA   3           HB3      ALA   3  -5.131  -6.598   5.361
   18    H    ILE   4           H        ILE   4  -3.719  -2.868   3.657
   19    HA   ILE   4           HA       ILE   4  -4.957  -1.347   5.846
   20    HB   ILE   4           HB       ILE   4  -3.894   0.540   4.543
   21   HG12  ILE   4          HG12      ILE   4  -2.464  -1.641   2.955
   22   HG13  ILE   4          HG13      ILE   4  -3.928  -0.887   2.327
   23   HG21  ILE   4          HG21      ILE   4  -1.585  -0.072   5.251
   24   HG22  ILE   4          HG22      ILE   4  -2.789  -0.547   6.459
   25   HG23  ILE   4          HG23      ILE   4  -2.088  -1.772   5.393
   26   HD11  ILE   4          HD11      ILE   4  -1.834   0.035   1.425
   27   HD12  ILE   4          HD12      ILE   4  -2.900   1.249   2.154
   28   HD13  ILE   4          HD13      ILE   4  -1.452   0.666   3.036
   29    H    SER   5           H        SER   5  -6.248   0.554   5.242
   30    HA   SER   5           HA       SER   5  -8.385   0.018   3.317
   31    HB2  SER   5           HB2      SER   5  -7.605   2.564   4.794
   32    HB3  SER   5           HB3      SER   5  -9.036   2.358   3.768
   33    HG   SER   5           HG       SER   5  -8.643   1.587   6.361
   34    H    CYS   6           H        CYS   6  -7.939   0.038   1.167
   35    HA   CYS   6           HA       CYS   6  -5.648   1.292  -0.011
   36    HB2  CYS   6           HB2      CYS   6  -6.766  -0.562  -1.049
   37    HB3  CYS   6           HB3      CYS   6  -8.260   0.373  -1.225
   38    H    VAL   7           H        VAL   7  -9.082   2.518   0.135
   39    HA   VAL   7           HA       VAL   7  -8.501   4.750  -1.543
   40    HB   VAL   7           HB       VAL   7 -10.574   5.704  -0.944
   41   HG11  VAL   7          HG11      VAL   7 -10.547   3.688  -2.400
   42   HG12  VAL   7          HG12      VAL   7 -10.957   2.696  -0.985
   43   HG13  VAL   7          HG13      VAL   7 -12.077   3.948  -1.548
   44   HG21  VAL   7          HG21      VAL   7 -10.775   5.614   1.425
   45   HG22  VAL   7          HG22      VAL   7 -12.103   4.660   0.766
   46   HG23  VAL   7          HG23      VAL   7 -10.688   3.842   1.439
   47    H    GLY   8           H        GLY   8  -8.388   4.449   1.922
   48    HA2  GLY   8           HA2      GLY   8  -7.799   6.054   3.618
   49    HA3  GLY   8           HA3      GLY   8  -6.327   5.584   2.753
   50    H    SER   9           H        SER   9  -5.102   6.949   1.863
   51    HA   SER   9           HA       SER   9  -6.143   9.536   0.868
   52    HB2  SER   9           HB2      SER   9  -5.316  10.282   2.933
   53    HB3  SER   9           HB3      SER   9  -3.870   9.280   2.830
   54    HG   SER   9           HG       SER   9  -3.517  11.531   2.234
   55    HA   PRO  10           HA       PRO  10  -2.562   8.050  -1.913
   56    HB2  PRO  10           HB2      PRO  10  -0.613   6.416  -1.104
   57    HB3  PRO  10           HB3      PRO  10  -0.597   8.129  -0.549
   58    HG2  PRO  10           HG2      PRO  10  -1.788   5.714   0.857
   59    HG3  PRO  10           HG3      PRO  10  -0.543   6.798   1.520
   60    HD2  PRO  10           HD2      PRO  10  -3.184   7.191   2.052
   61    HD3  PRO  10           HD3      PRO  10  -2.104   8.589   1.716
   62    H    GLU  11           H        GLU  11  -2.032   5.775  -3.060
   63    HA   GLU  11           HA       GLU  11  -4.169   3.907  -2.734
   64    HB2  GLU  11           HB2      GLU  11  -3.066   4.715  -4.860
   65    HB3  GLU  11           HB3      GLU  11  -1.613   3.813  -4.398
   66    HG2  GLU  11           HG2      GLU  11  -3.001   1.774  -4.236
   67    HG3  GLU  11           HG3      GLU  11  -4.383   2.721  -4.829
   68    H    CYS  12           H        CYS  12  -0.644   3.121  -2.759
   69    HA   CYS  12           HA       CYS  12  -1.215   1.021  -0.694
   70    HB2  CYS  12           HB2      CYS  12  -0.461   0.678  -3.546
   71    HB3  CYS  12           HB3      CYS  12   0.301  -0.393  -2.378
   72    HA   PRO  13           HA       PRO  13   3.362   0.606  -0.533
   73    HB2  PRO  13           HB2      PRO  13   5.119   2.337  -1.898
   74    HB3  PRO  13           HB3      PRO  13   4.658   0.671  -2.333
   75    HG2  PRO  13           HG2      PRO  13   3.586   3.257  -3.405
   76    HG3  PRO  13           HG3      PRO  13   3.819   1.694  -4.246
   77    HD2  PRO  13           HD2      PRO  13   1.357   2.563  -3.403
   78    HD3  PRO  13           HD3      PRO  13   1.820   0.853  -3.472
   79    HA   PRO  14           HA       PRO  14   4.539   4.701   1.556
   80    HB2  PRO  14           HB2      PRO  14   3.072   6.965   1.379
   81    HB3  PRO  14           HB3      PRO  14   4.219   6.482   0.088
   82    HG2  PRO  14           HG2      PRO  14   1.239   5.959   0.213
   83    HG3  PRO  14           HG3      PRO  14   2.148   6.724  -1.130
   84    HD2  PRO  14           HD2      PRO  14   1.510   4.076  -1.120
   85    HD3  PRO  14           HD3      PRO  14   3.080   4.659  -1.776
   86    H    LYS  15           H        LYS  15   1.394   3.378   1.490
   87    HA   LYS  15           HA       LYS  15   0.815   4.024   4.354
   88    HB2  LYS  15           HB2      LYS  15  -0.861   4.576   2.590
   89    HB3  LYS  15           HB3      LYS  15  -1.037   2.856   2.238
   90    HG2  LYS  15           HG2      LYS  15  -1.703   2.581   4.725
   91    HG3  LYS  15           HG3      LYS  15  -1.648   4.330   4.828
   92    HD2  LYS  15           HD2      LYS  15  -3.735   2.590   3.609
   93    HD3  LYS  15           HD3      LYS  15  -3.864   3.986   4.625
   94    HE2  LYS  15           HE2      LYS  15  -4.497   5.097   2.837
   95    HE3  LYS  15           HE3      LYS  15  -2.813   5.150   2.376
   96    HZ1  LYS  15           HZ1      LYS  15  -4.296   4.305   0.569
   97    HZ2  LYS  15           HZ2      LYS  15  -3.233   3.163   0.948
   98    HZ3  LYS  15           HZ3      LYS  15  -4.785   3.082   1.524
   99    H    CYS  16           H        CYS  16   1.550   1.369   2.142
  100    HA   CYS  16           HA       CYS  16   1.088  -0.885   3.723
  101    HB2  CYS  16           HB2      CYS  16   3.237  -0.118   1.746
  102    HB3  CYS  16           HB3      CYS  16   3.356  -1.651   2.604
  103    H    ARG  17           H        ARG  17   3.770   1.470   4.094
  104    HA   ARG  17           HA       ARG  17   3.999   0.739   6.885
  105    HB2  ARG  17           HB2      ARG  17   6.314   0.231   6.949
  106    HB3  ARG  17           HB3      ARG  17   5.561  -0.889   5.801
  107    HG2  ARG  17           HG2      ARG  17   6.336   0.668   3.936
  108    HG3  ARG  17           HG3      ARG  17   7.240   1.573   5.161
  109    HD2  ARG  17           HD2      ARG  17   7.667  -1.281   4.295
  110    HD3  ARG  17           HD3      ARG  17   8.739   0.120   4.054
  111    HE   ARG  17           HE       ARG  17   8.218  -0.280   6.858
  112   HH11  ARG  17          HH11      ARG  17  10.371  -1.598   4.373
  113   HH12  ARG  17          HH12      ARG  17  11.103  -2.671   5.540
  114   HH21  ARG  17          HH21      ARG  17   9.292  -1.424   8.207
  115   HH22  ARG  17          HH22      ARG  17  10.743  -2.313   7.754
  116    H    ALA  18           H        ALA  18   5.532   2.161   8.019
  117    HA   ALA  18           HA       ALA  18   4.771   4.834   7.633
  118    HB1  ALA  18           HB1      ALA  18   6.383   5.229   9.514
  119    HB2  ALA  18           HB2      ALA  18   5.328   3.827   9.785
  120    HB3  ALA  18           HB3      ALA  18   7.008   3.572   9.279
  121    H    GLN  19           H        GLN  19   7.927   3.361   6.978
  122    HA   GLN  19           HA       GLN  19   9.075   5.752   5.724
  123    HB2  GLN  19           HB2      GLN  19  11.076   4.436   5.542
  124    HB3  GLN  19           HB3      GLN  19  10.464   4.495   7.189
  125    HG2  GLN  19           HG2      GLN  19   9.781   2.147   5.375
  126    HG3  GLN  19           HG3      GLN  19  11.342   2.292   6.154
  127   HE21  GLN  19          HE22      GLN  19  11.532   1.802   8.418
  128   HE22  GLN  19          HE21      GLN  19  10.112   1.362   9.368
  129    H    GLY  20           H        GLY  20   6.853   3.785   4.553
  130    HA2  GLY  20           HA2      GLY  20   6.058   3.255   2.539
  131    HA3  GLY  20           HA3      GLY  20   7.287   4.254   1.765
  132    H    CYS  21           H        CYS  21   6.002   1.663   1.188
  133    HA   CYS  21           HA       CYS  21   7.926  -0.526   1.534
  134    HB2  CYS  21           HB2      CYS  21   5.394  -0.579   1.718
  135    HB3  CYS  21           HB3      CYS  21   5.334  -0.310  -0.024
  136    H    LYS  22           H        LYS  22   8.527  -1.881  -0.278
  137    HA   LYS  22           HA       LYS  22   9.877  -0.495  -2.400
  138    HB2  LYS  22           HB2      LYS  22   9.249  -3.461  -2.058
  139    HB3  LYS  22           HB3      LYS  22  10.398  -2.782  -3.233
  140    HG2  LYS  22           HG2      LYS  22  11.710  -1.808  -1.320
  141    HG3  LYS  22           HG3      LYS  22  10.553  -2.562  -0.203
  142    HD2  LYS  22           HD2      LYS  22  11.158  -4.793  -1.173
  143    HD3  LYS  22           HD3      LYS  22  12.419  -4.006  -2.112
  144    HE2  LYS  22           HE2      LYS  22  13.392  -4.999  -0.120
  145    HE3  LYS  22           HE3      LYS  22  13.505  -3.232  -0.009
  146    HZ1  LYS  22           HZ1      LYS  22  11.405  -4.870   1.326
  147    HZ2  LYS  22           HZ2      LYS  22  12.758  -4.301   2.076
  148    HZ3  LYS  22           HZ3      LYS  22  11.666  -3.239   1.523
  149    H    ASN  23           H        ASN  23   6.949  -2.559  -2.531
  150    HA   ASN  23           HA       ASN  23   5.724  -0.814  -4.489
  151    HB2  ASN  23           HB2      ASN  23   7.249  -2.395  -5.845
  152    HB3  ASN  23           HB3      ASN  23   6.192  -3.705  -5.324
  153   HD21  ASN  23          HD22      ASN  23   6.309  -3.636  -7.899
  154   HD22  ASN  23          HD21      ASN  23   4.833  -2.938  -8.557
  155    H    GLY  24           H        GLY  24   3.460  -1.755  -5.077
  156    HA2  GLY  24           HA2      GLY  24   2.199  -3.687  -3.391
  157    HA3  GLY  24           HA3      GLY  24   1.925  -2.074  -2.708
  158    H    LYS  25           H        LYS  25   0.078  -4.077  -3.896
  159    HA   LYS  25           HA       LYS  25  -1.161  -2.532  -6.135
  160    HB2  LYS  25           HB2      LYS  25  -0.038  -4.452  -7.046
  161    HB3  LYS  25           HB3      LYS  25  -0.744  -5.520  -5.799
  162    HG2  LYS  25           HG2      LYS  25  -2.896  -5.360  -6.711
  163    HG3  LYS  25           HG3      LYS  25  -2.459  -4.026  -7.789
  164    HD2  LYS  25           HD2      LYS  25  -1.027  -5.560  -9.106
  165    HD3  LYS  25           HD3      LYS  25  -1.456  -6.904  -8.010
  166    HE2  LYS  25           HE2      LYS  25  -3.853  -6.607  -8.601
  167    HE3  LYS  25           HE3      LYS  25  -3.437  -5.277  -9.689
  168    HZ1  LYS  25           HZ1      LYS  25  -2.520  -8.087 -10.061
  169    HZ2  LYS  25           HZ2      LYS  25  -3.772  -7.407 -10.841
  170    HZ3  LYS  25           HZ3      LYS  25  -2.266  -6.845 -11.116
  171    H    CYS  26           H        CYS  26  -3.279  -2.080  -5.992
  172    HA   CYS  26           HA       CYS  26  -4.726  -2.854  -3.535
  173    HB2  CYS  26           HB2      CYS  26  -4.464  -0.533  -3.851
  174    HB3  CYS  26           HB3      CYS  26  -4.967  -0.610  -5.531
  175    H    MET  27           H        MET  27  -6.747  -3.672  -3.409
  176    HA   MET  27           HA       MET  27  -8.285  -4.355  -5.850
  177    HB2  MET  27           HB2      MET  27  -8.796  -6.583  -4.932
  178    HB3  MET  27           HB3      MET  27  -7.122  -6.388  -5.435
  179    HG2  MET  27           HG2      MET  27  -8.035  -6.269  -2.534
  180    HG3  MET  27           HG3      MET  27  -7.491  -7.718  -3.356
  181    HE1  MET  27           HE1      MET  27  -5.908  -8.265  -1.489
  182    HE2  MET  27           HE2      MET  27  -4.600  -7.232  -0.885
  183    HE3  MET  27           HE3      MET  27  -6.297  -6.798  -0.573
  184    H    ASN  28           H        ASN  28 -10.076  -3.255  -5.666
  185    HA   ASN  28           HA       ASN  28 -11.697  -2.024  -5.040
  186    HB2  ASN  28           HB2      ASN  28 -12.667  -4.308  -4.922
  187    HB3  ASN  28           HB3      ASN  28 -12.482  -4.278  -3.175
  188   HD21  ASN  28          HD22      ASN  28 -14.985  -4.656  -3.660
  189   HD22  ASN  28          HD21      ASN  28 -15.897  -3.158  -3.518
  190    H    ARG  29           H        ARG  29 -10.984  -3.266  -1.755
  191    HA   ARG  29           HA       ARG  29 -10.685  -0.422  -0.869
  192    HB2  ARG  29           HB2      ARG  29 -11.875  -2.711   0.756
  193    HB3  ARG  29           HB3      ARG  29 -11.819  -1.018   1.242
  194    HG2  ARG  29           HG2      ARG  29 -13.313  -2.108  -1.135
  195    HG3  ARG  29           HG3      ARG  29 -13.996  -1.856   0.477
  196    HD2  ARG  29           HD2      ARG  29 -14.411   0.327   0.061
  197    HD3  ARG  29           HD3      ARG  29 -12.728   0.614  -0.395
  198    HE   ARG  29           HE       ARG  29 -14.017  -0.703  -2.553
  199   HH11  ARG  29          HH21      ARG  29 -14.350   2.481  -1.109
  200   HH12  ARG  29          HH22      ARG  29 -14.480   3.236  -2.681
  201   HH21  ARG  29          HH11      ARG  29 -14.313   0.220  -4.369
  202   HH22  ARG  29          HH12      ARG  29 -14.492   1.966  -4.536
  203    H    LYS  30           H        LYS  30  -9.019  -3.265  -1.198
  204    HA   LYS  30           HA       LYS  30  -7.340  -2.795   1.236
  205    HB2  LYS  30           HB2      LYS  30  -8.254  -5.442   0.052
  206    HB3  LYS  30           HB3      LYS  30  -7.146  -5.255   1.416
  207    HG2  LYS  30           HG2      LYS  30 -10.082  -4.336   1.391
  208    HG3  LYS  30           HG3      LYS  30  -9.443  -5.808   2.126
  209    HD2  LYS  30           HD2      LYS  30  -7.937  -4.337   3.588
  210    HD3  LYS  30           HD3      LYS  30  -8.850  -2.951   2.976
  211    HE2  LYS  30           HE2      LYS  30 -10.979  -4.159   3.722
  212    HE3  LYS  30           HE3      LYS  30  -9.912  -5.331   4.535
  213    HZ1  LYS  30           HZ1      LYS  30 -10.163  -2.436   5.143
  214    HZ2  LYS  30           HZ2      LYS  30 -10.565  -3.735   6.109
  215    HZ3  LYS  30           HZ3      LYS  30  -8.998  -3.359   5.784
  216    H    CYS  31           H        CYS  31  -5.198  -4.034   1.037
  217    HA   CYS  31           HA       CYS  31  -4.063  -3.694  -1.700
  218    HB2  CYS  31           HB2      CYS  31  -3.819  -1.537  -0.458
  219    HB3  CYS  31           HB3      CYS  31  -2.982  -2.424   0.827
  220    H    LYS  32           H        LYS  32  -2.592  -5.166  -2.248
  221    HA   LYS  32           HA       LYS  32  -1.384  -6.975  -0.258
  222    HB2  LYS  32           HB2      LYS  32  -2.596  -7.939  -2.244
  223    HB3  LYS  32           HB3      LYS  32  -1.516  -7.037  -3.310
  224    HG2  LYS  32           HG2      LYS  32  -0.682  -9.268  -3.214
  225    HG3  LYS  32           HG3      LYS  32   0.429  -8.273  -2.275
  226    HD2  LYS  32           HD2      LYS  32  -0.968  -9.042  -0.183
  227    HD3  LYS  32           HD3      LYS  32  -1.664 -10.250  -1.276
  228    HE2  LYS  32           HE2      LYS  32   0.630 -10.998  -1.850
  229    HE3  LYS  32           HE3      LYS  32   1.279  -9.732  -0.779
  230    HZ1  LYS  32           HZ1      LYS  32   0.215 -10.844   1.096
  231    HZ2  LYS  32           HZ2      LYS  32  -0.418 -12.017   0.140
  232    HZ3  LYS  32           HZ3      LYS  32   1.208 -11.906   0.347
  233    H    CYS  33           H        CYS  33   0.364  -6.100   0.598
  234    HA   CYS  33           HA       CYS  33   2.135  -4.252  -0.868
  235    HB2  CYS  33           HB2      CYS  33   2.414  -5.542   1.857
  236    HB3  CYS  33           HB3      CYS  33   3.391  -4.214   1.235
  237    H    TYR  34           H        TYR  34   4.219  -4.854  -1.675
  238    HA   TYR  34           HA       TYR  34   4.192  -7.682  -2.493
  239    HB2  TYR  34           HB2      TYR  34   5.578  -5.230  -3.534
  240    HB3  TYR  34           HB3      TYR  34   6.080  -6.836  -4.001
  241    HD1  TYR  34           HD2      TYR  34   2.383  -6.581  -3.570
  242    HD2  TYR  34           HD1      TYR  34   5.713  -6.028  -6.286
  243    HE1  TYR  34           HE2      TYR  34   0.906  -6.956  -5.477
  244    HE2  TYR  34           HE1      TYR  34   4.162  -6.270  -8.207
  245    HH   TYR  34           HH       TYR  34   1.990  -6.657  -8.875
  246    H    TYR  35           H        TYR  35   7.043  -5.696  -1.624
  247    HA   TYR  35           HA       TYR  35   8.245  -8.157  -0.418
  248    HB2  TYR  35           HB2      TYR  35   9.590  -6.209  -2.295
  249    HB3  TYR  35           HB3      TYR  35  10.316  -7.645  -1.576
  250    HD1  TYR  35           HD1      TYR  35   8.798  -9.911  -2.003
  251    HD2  TYR  35           HD2      TYR  35   8.997  -6.426  -4.532
  252    HE1  TYR  35           HE1      TYR  35   8.061 -11.276  -3.957
  253    HE2  TYR  35           HE2      TYR  35   8.249  -7.784  -6.475
  254    HH   TYR  35           HH       TYR  35   7.689  -9.882  -7.232
  255    H    CYS  36           H        CYS  36   7.077  -6.031   1.195
  256    HA   CYS  36           HA       CYS  36   9.511  -5.214   2.685
  257    HB2  CYS  36           HB2      CYS  36   8.634  -3.103   2.987
  258    HB3  CYS  36           HB3      CYS  36   8.489  -3.414   1.272
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1   1.328  -8.891   3.461
    2    H2   ALA   1           H2       ALA   1   1.988  -8.872   4.947
    3    H3   ALA   1           H3       ALA   1   2.127  -7.546   3.983
    4    HA   ALA   1           HA       ALA   1  -0.381  -8.626   5.087
    5    HB1  ALA   1           HB1      ALA   1  -0.447  -6.631   6.521
    6    HB2  ALA   1           HB2      ALA   1   1.003  -7.599   6.824
    7    HB3  ALA   1           HB3      ALA   1   1.121  -6.105   5.873
    8    H    ALA   2           H        ALA   2  -2.219  -6.976   4.921
    9    HA   ALA   2           HA       ALA   2  -2.096  -5.088   2.710
   10    HB1  ALA   2           HB1      ALA   2  -2.764  -7.267   1.646
   11    HB2  ALA   2           HB2      ALA   2  -4.127  -7.369   2.774
   12    HB3  ALA   2           HB3      ALA   2  -4.064  -6.059   1.577
   13    H    ALA   3           H        ALA   3  -2.238  -4.845   5.521
   14    HA   ALA   3           HA       ALA   3  -4.898  -4.782   6.607
   15    HB1  ALA   3           HB1      ALA   3  -2.891  -5.596   7.754
   16    HB2  ALA   3           HB2      ALA   3  -2.173  -3.968   7.651
   17    HB3  ALA   3           HB3      ALA   3  -3.620  -4.239   8.647
   18    H    ILE   4           H        ILE   4  -4.631  -2.741   4.497
   19    HA   ILE   4           HA       ILE   4  -5.407  -0.356   6.057
   20    HB   ILE   4           HB       ILE   4  -3.938   1.057   4.482
   21   HG12  ILE   4          HG12      ILE   4  -2.324  -1.539   4.345
   22   HG13  ILE   4          HG13      ILE   4  -3.119  -0.691   3.012
   23   HG21  ILE   4          HG21      ILE   4  -2.496  -0.397   6.724
   24   HG22  ILE   4          HG22      ILE   4  -2.221   1.257   6.127
   25   HG23  ILE   4          HG23      ILE   4  -3.717   0.872   6.973
   26   HD11  ILE   4          HD11      ILE   4  -0.698   0.139   4.624
   27   HD12  ILE   4          HD12      ILE   4  -0.868  -0.022   2.862
   28   HD13  ILE   4          HD13      ILE   4  -1.654   1.330   3.733
   29    H    SER   5           H        SER   5  -6.508   1.205   4.951
   30    HA   SER   5           HA       SER   5  -8.330   0.272   3.047
   31    HB2  SER   5           HB2      SER   5  -7.617   3.108   3.844
   32    HB3  SER   5           HB3      SER   5  -9.057   2.633   2.910
   33    HG   SER   5           HG       SER   5  -9.500   2.762   5.171
   34    H    CYS   6           H        CYS   6  -8.192  -0.093   1.047
   35    HA   CYS   6           HA       CYS   6  -6.278   0.423  -0.934
   36    HB2  CYS   6           HB2      CYS   6  -8.191  -1.048  -1.191
   37    HB3  CYS   6           HB3      CYS   6  -9.306   0.320  -1.072
   38    H    VAL   7           H        VAL   7  -9.093   2.483  -0.067
   39    HA   VAL   7           HA       VAL   7  -8.207   4.703  -1.725
   40    HB   VAL   7           HB       VAL   7 -10.548   4.338  -1.139
   41   HG11  VAL   7          HG11      VAL   7 -10.081   5.572   1.594
   42   HG12  VAL   7          HG12      VAL   7 -11.561   4.908   0.895
   43   HG13  VAL   7          HG13      VAL   7 -10.260   3.816   1.352
   44   HG21  VAL   7          HG21      VAL   7  -9.444   7.032  -0.262
   45   HG22  VAL   7          HG22      VAL   7  -9.725   6.507  -1.937
   46   HG23  VAL   7          HG23      VAL   7 -11.093   6.699  -0.833
   47    H    GLY   8           H        GLY   8  -8.321   4.481   1.865
   48    HA2  GLY   8           HA2      GLY   8  -6.798   5.194   3.481
   49    HA3  GLY   8           HA3      GLY   8  -5.550   4.993   2.249
   50    H    SER   9           H        SER   9  -4.302   6.627   2.487
   51    HA   SER   9           HA       SER   9  -5.447   9.371   2.014
   52    HB2  SER   9           HB2      SER   9  -4.633   9.417   4.160
   53    HB3  SER   9           HB3      SER   9  -3.246   8.407   3.795
   54    HG   SER   9           HG       SER   9  -2.732  10.628   4.086
   55    HA   PRO  10           HA       PRO  10  -2.052   8.917  -1.272
   56    HB2  PRO  10           HB2      PRO  10   0.046   7.269  -1.037
   57    HB3  PRO  10           HB3      PRO  10  -0.056   8.757  -0.048
   58    HG2  PRO  10           HG2      PRO  10  -0.921   5.955   0.795
   59    HG3  PRO  10           HG3      PRO  10   0.229   7.046   1.647
   60    HD2  PRO  10           HD2      PRO  10  -2.428   6.841   2.232
   61    HD3  PRO  10           HD3      PRO  10  -1.522   8.392   2.364
   62    H    GLU  11           H        GLU  11  -1.027   6.792  -2.842
   63    HA   GLU  11           HA       GLU  11  -3.473   5.378  -3.470
   64    HB2  GLU  11           HB2      GLU  11  -0.826   5.005  -4.860
   65    HB3  GLU  11           HB3      GLU  11  -2.408   4.548  -5.416
   66    HG2  GLU  11           HG2      GLU  11  -1.486   7.409  -4.945
   67    HG3  GLU  11           HG3      GLU  11  -1.573   6.598  -6.500
   68    H    CYS  12           H        CYS  12  -0.189   3.811  -2.970
   69    HA   CYS  12           HA       CYS  12  -1.518   1.929  -1.170
   70    HB2  CYS  12           HB2      CYS  12  -2.096   1.197  -3.566
   71    HB3  CYS  12           HB3      CYS  12  -0.463   0.592  -3.658
   72    HA   PRO  13           HA       PRO  13   2.940   0.369  -1.026
   73    HB2  PRO  13           HB2      PRO  13   4.972   1.778  -2.330
   74    HB3  PRO  13           HB3      PRO  13   4.188   0.276  -2.884
   75    HG2  PRO  13           HG2      PRO  13   3.652   3.107  -3.740
   76    HG3  PRO  13           HG3      PRO  13   3.643   1.610  -4.715
   77    HD2  PRO  13           HD2      PRO  13   1.347   2.814  -3.826
   78    HD3  PRO  13           HD3      PRO  13   1.497   1.060  -4.047
   79    HA   PRO  14           HA       PRO  14   4.849   4.305   0.840
   80    HB2  PRO  14           HB2      PRO  14   3.475   6.649   1.033
   81    HB3  PRO  14           HB3      PRO  14   4.426   6.190  -0.415
   82    HG2  PRO  14           HG2      PRO  14   1.450   5.801   0.039
   83    HG3  PRO  14           HG3      PRO  14   2.256   6.581  -1.367
   84    HD2  PRO  14           HD2      PRO  14   1.427   4.035  -1.413
   85    HD3  PRO  14           HD3      PRO  14   3.012   4.487  -2.148
   86    H    LYS  15           H        LYS  15   1.373   3.913   1.309
   87    HA   LYS  15           HA       LYS  15   1.315   4.578   4.135
   88    HB2  LYS  15           HB2      LYS  15  -1.019   3.639   3.997
   89    HB3  LYS  15           HB3      LYS  15  -0.673   4.984   2.926
   90    HG2  LYS  15           HG2      LYS  15  -0.492   3.541   0.991
   91    HG3  LYS  15           HG3      LYS  15  -0.495   2.112   2.004
   92    HD2  LYS  15           HD2      LYS  15  -2.627   2.045   1.188
   93    HD3  LYS  15           HD3      LYS  15  -2.928   2.894   2.696
   94    HE2  LYS  15           HE2      LYS  15  -3.286   4.942   1.681
   95    HE3  LYS  15           HE3      LYS  15  -2.237   4.576   0.307
   96    HZ1  LYS  15           HZ1      LYS  15  -4.860   3.266   0.624
   97    HZ2  LYS  15           HZ2      LYS  15  -4.594   4.655  -0.252
   98    HZ3  LYS  15           HZ3      LYS  15  -3.844   3.300  -0.701
   99    H    CYS  16           H        CYS  16   2.285   1.703   2.531
  100    HA   CYS  16           HA       CYS  16   1.567  -0.339   4.308
  101    HB2  CYS  16           HB2      CYS  16   4.053   0.170   2.644
  102    HB3  CYS  16           HB3      CYS  16   3.768  -1.357   3.477
  103    H    ARG  17           H        ARG  17   4.197   2.034   4.717
  104    HA   ARG  17           HA       ARG  17   4.796   1.158   7.442
  105    HB2  ARG  17           HB2      ARG  17   7.146   0.600   6.881
  106    HB3  ARG  17           HB3      ARG  17   5.962  -0.516   6.203
  107    HG2  ARG  17           HG2      ARG  17   6.238   0.317   3.995
  108    HG3  ARG  17           HG3      ARG  17   7.263   1.640   4.566
  109    HD2  ARG  17           HD2      ARG  17   8.384  -0.383   3.479
  110    HD3  ARG  17           HD3      ARG  17   9.105   0.243   4.928
  111    HE   ARG  17           HE       ARG  17   7.614  -2.330   4.658
  112   HH11  ARG  17          HH11      ARG  17   9.240  -0.183   6.942
  113   HH12  ARG  17          HH12      ARG  17   9.597  -1.524   8.014
  114   HH21  ARG  17          HH21      ARG  17   8.121  -3.905   6.040
  115   HH22  ARG  17          HH22      ARG  17   8.827  -3.529   7.615
  116    H    ALA  18           H        ALA  18   6.935   2.328   8.136
  117    HA   ALA  18           HA       ALA  18   6.194   5.106   8.212
  118    HB1  ALA  18           HB1      ALA  18   7.165   3.905  10.104
  119    HB2  ALA  18           HB2      ALA  18   8.666   3.617   9.195
  120    HB3  ALA  18           HB3      ALA  18   8.206   5.272   9.668
  121    H    GLN  19           H        GLN  19   8.545   3.415   6.278
  122    HA   GLN  19           HA       GLN  19   9.630   5.948   5.121
  123    HB2  GLN  19           HB2      GLN  19  11.657   4.734   4.689
  124    HB3  GLN  19           HB3      GLN  19  11.262   4.816   6.400
  125    HG2  GLN  19           HG2      GLN  19  10.643   2.388   4.668
  126    HG3  GLN  19           HG3      GLN  19  12.157   2.644   5.511
  127   HE21  GLN  19          HE22      GLN  19  12.077   2.695   8.022
  128   HE22  GLN  19          HE21      GLN  19  10.715   1.898   8.777
  129    H    GLY  20           H        GLY  20   7.405   3.838   4.383
  130    HA2  GLY  20           HA2      GLY  20   6.223   3.309   2.501
  131    HA3  GLY  20           HA3      GLY  20   7.353   4.228   1.526
  132    H    CYS  21           H        CYS  21   6.168   1.957   0.619
  133    HA   CYS  21           HA       CYS  21   8.079  -0.302   0.816
  134    HB2  CYS  21           HB2      CYS  21   5.541  -0.413   1.223
  135    HB3  CYS  21           HB3      CYS  21   5.366  -0.212  -0.514
  136    H    LYS  22           H        LYS  22   8.622  -1.540  -0.996
  137    HA   LYS  22           HA       LYS  22   9.482  -0.322  -3.450
  138    HB2  LYS  22           HB2      LYS  22   8.996  -3.189  -2.550
  139    HB3  LYS  22           HB3      LYS  22   9.632  -2.804  -4.161
  140    HG2  LYS  22           HG2      LYS  22  11.614  -1.786  -3.251
  141    HG3  LYS  22           HG3      LYS  22  10.950  -1.826  -1.616
  142    HD2  LYS  22           HD2      LYS  22  10.869  -4.356  -1.776
  143    HD3  LYS  22           HD3      LYS  22  11.739  -4.215  -3.322
  144    HE2  LYS  22           HE2      LYS  22  13.560  -4.459  -1.952
  145    HE3  LYS  22           HE3      LYS  22  13.371  -2.717  -1.804
  146    HZ1  LYS  22           HZ1      LYS  22  11.910  -3.313   0.213
  147    HZ2  LYS  22           HZ2      LYS  22  12.527  -4.838   0.074
  148    HZ3  LYS  22           HZ3      LYS  22  13.541  -3.562   0.351
  149    H    ASN  23           H        ASN  23   6.641  -2.454  -2.848
  150    HA   ASN  23           HA       ASN  23   5.158  -1.138  -4.990
  151    HB2  ASN  23           HB2      ASN  23   6.559  -2.985  -6.108
  152    HB3  ASN  23           HB3      ASN  23   5.580  -4.142  -5.196
  153   HD21  ASN  23          HD22      ASN  23   5.315  -4.754  -7.685
  154   HD22  ASN  23          HD21      ASN  23   3.839  -4.065  -8.353
  155    H    GLY  24           H        GLY  24   2.976  -1.874  -5.068
  156    HA2  GLY  24           HA2      GLY  24   1.736  -3.522  -3.130
  157    HA3  GLY  24           HA3      GLY  24   1.606  -1.833  -2.589
  158    H    LYS  25           H        LYS  25  -0.529  -3.741  -3.455
  159    HA   LYS  25           HA       LYS  25  -1.845  -2.057  -5.488
  160    HB2  LYS  25           HB2      LYS  25  -2.378  -3.785  -6.919
  161    HB3  LYS  25           HB3      LYS  25  -0.670  -4.018  -6.633
  162    HG2  LYS  25           HG2      LYS  25  -1.145  -5.873  -5.091
  163    HG3  LYS  25           HG3      LYS  25  -2.884  -5.605  -5.218
  164    HD2  LYS  25           HD2      LYS  25  -1.124  -6.398  -7.565
  165    HD3  LYS  25           HD3      LYS  25  -2.092  -7.502  -6.572
  166    HE2  LYS  25           HE2      LYS  25  -4.140  -6.131  -7.195
  167    HE3  LYS  25           HE3      LYS  25  -3.127  -5.271  -8.371
  168    HZ1  LYS  25           HZ1      LYS  25  -3.554  -8.207  -8.323
  169    HZ2  LYS  25           HZ2      LYS  25  -4.295  -7.165  -9.354
  170    HZ3  LYS  25           HZ3      LYS  25  -2.669  -7.394  -9.446
  171    H    CYS  26           H        CYS  26  -4.177  -2.518  -5.700
  172    HA   CYS  26           HA       CYS  26  -5.368  -3.400  -3.106
  173    HB2  CYS  26           HB2      CYS  26  -5.721  -1.110  -3.354
  174    HB3  CYS  26           HB3      CYS  26  -6.050  -1.234  -5.076
  175    H    MET  27           H        MET  27  -7.039  -4.809  -3.038
  176    HA   MET  27           HA       MET  27  -7.817  -6.201  -5.554
  177    HB2  MET  27           HB2      MET  27  -8.256  -6.974  -2.657
  178    HB3  MET  27           HB3      MET  27  -8.868  -7.856  -4.048
  179    HG2  MET  27           HG2      MET  27  -6.913  -8.977  -3.367
  180    HG3  MET  27           HG3      MET  27  -6.536  -8.153  -4.872
  181    HE1  MET  27           HE1      MET  27  -4.910  -6.986  -0.669
  182    HE2  MET  27           HE2      MET  27  -6.594  -6.673  -1.115
  183    HE3  MET  27           HE3      MET  27  -6.006  -8.343  -0.998
  184    H    ASN  28           H        ASN  28  -9.501  -4.778  -2.700
  185    HA   ASN  28           HA       ASN  28 -11.284  -3.311  -4.509
  186    HB2  ASN  28           HB2      ASN  28 -12.449  -5.526  -4.109
  187    HB3  ASN  28           HB3      ASN  28 -12.474  -5.161  -2.384
  188   HD21  ASN  28          HD22      ASN  28 -13.699  -4.142  -5.576
  189   HD22  ASN  28          HD21      ASN  28 -15.071  -3.257  -4.896
  190    H    ARG  29           H        ARG  29 -10.603  -4.059  -1.086
  191    HA   ARG  29           HA       ARG  29 -10.726  -1.155  -0.356
  192    HB2  ARG  29           HB2      ARG  29 -11.684  -3.508   1.322
  193    HB3  ARG  29           HB3      ARG  29 -11.719  -1.812   1.796
  194    HG2  ARG  29           HG2      ARG  29 -13.238  -3.038  -0.491
  195    HG3  ARG  29           HG3      ARG  29 -13.885  -2.698   1.099
  196    HD2  ARG  29           HD2      ARG  29 -13.394  -0.242   0.769
  197    HD3  ARG  29           HD3      ARG  29 -12.782  -0.576  -0.829
  198    HE   ARG  29           HE       ARG  29 -14.943  -0.895  -1.667
  199   HH11  ARG  29          HH11      ARG  29 -15.215  -0.413   1.812
  200   HH12  ARG  29          HH12      ARG  29 -16.874   0.131   1.668
  201   HH21  ARG  29          HH21      ARG  29 -16.911  -0.158  -1.771
  202   HH22  ARG  29          HH22      ARG  29 -17.717   0.542  -0.377
  203    H    LYS  30           H        LYS  30  -8.845  -3.967  -0.315
  204    HA   LYS  30           HA       LYS  30  -7.251  -3.073   2.062
  205    HB2  LYS  30           HB2      LYS  30  -7.686  -5.849   0.897
  206    HB3  LYS  30           HB3      LYS  30  -6.744  -5.487   2.329
  207    HG2  LYS  30           HG2      LYS  30  -9.756  -4.873   2.063
  208    HG3  LYS  30           HG3      LYS  30  -9.106  -6.347   2.748
  209    HD2  LYS  30           HD2      LYS  30  -8.377  -3.608   3.881
  210    HD3  LYS  30           HD3      LYS  30  -9.793  -4.523   4.378
  211    HE2  LYS  30           HE2      LYS  30  -8.290  -6.479   4.922
  212    HE3  LYS  30           HE3      LYS  30  -6.893  -5.428   4.632
  213    HZ1  LYS  30           HZ1      LYS  30  -9.043  -4.847   6.613
  214    HZ2  LYS  30           HZ2      LYS  30  -7.609  -5.501   7.030
  215    HZ3  LYS  30           HZ3      LYS  30  -7.711  -3.973   6.422
  216    H    CYS  31           H        CYS  31  -5.069  -2.787   1.882
  217    HA   CYS  31           HA       CYS  31  -4.121  -2.720  -0.970
  218    HB2  CYS  31           HB2      CYS  31  -4.558  -0.597   0.785
  219    HB3  CYS  31           HB3      CYS  31  -2.808  -0.808   0.792
  220    H    LYS  32           H        LYS  32  -2.861  -4.407  -1.285
  221    HA   LYS  32           HA       LYS  32  -1.360  -5.721   0.745
  222    HB2  LYS  32           HB2      LYS  32  -2.513  -6.697  -1.273
  223    HB3  LYS  32           HB3      LYS  32  -1.233  -6.010  -2.289
  224    HG2  LYS  32           HG2      LYS  32   0.456  -7.365  -1.154
  225    HG3  LYS  32           HG3      LYS  32  -0.729  -7.861   0.077
  226    HD2  LYS  32           HD2      LYS  32  -2.086  -8.947  -1.775
  227    HD3  LYS  32           HD3      LYS  32  -0.714  -8.629  -2.882
  228    HE2  LYS  32           HE2      LYS  32   0.790  -9.871  -1.410
  229    HE3  LYS  32           HE3      LYS  32  -0.489 -10.007  -0.189
  230    HZ1  LYS  32           HZ1      LYS  32  -0.266 -12.063  -1.499
  231    HZ2  LYS  32           HZ2      LYS  32  -1.757 -11.398  -1.739
  232    HZ3  LYS  32           HZ3      LYS  32  -0.615 -11.235  -2.886
  233    H    CYS  33           H        CYS  33   0.651  -5.696   1.283
  234    HA   CYS  33           HA       CYS  33   2.616  -3.860  -0.025
  235    HB2  CYS  33           HB2      CYS  33   2.354  -4.867   2.830
  236    HB3  CYS  33           HB3      CYS  33   3.576  -3.730   2.257
  237    H    TYR  34           H        TYR  34   4.066  -4.989  -1.203
  238    HA   TYR  34           HA       TYR  34   4.050  -7.895  -0.995
  239    HB2  TYR  34           HB2      TYR  34   5.174  -5.886  -2.956
  240    HB3  TYR  34           HB3      TYR  34   5.538  -7.591  -3.061
  241    HD1  TYR  34           HD2      TYR  34   3.706  -9.312  -3.217
  242    HD2  TYR  34           HD1      TYR  34   3.155  -5.110  -4.017
  243    HE1  TYR  34           HE2      TYR  34   1.841  -9.855  -4.761
  244    HE2  TYR  34           HE1      TYR  34   1.256  -5.657  -5.553
  245    HH   TYR  34           HH       TYR  34   0.407  -9.043  -6.345
  246    H    TYR  35           H        TYR  35   6.821  -5.614  -1.074
  247    HA   TYR  35           HA       TYR  35   8.596  -7.847  -0.159
  248    HB2  TYR  35           HB2      TYR  35   9.236  -5.763  -2.240
  249    HB3  TYR  35           HB3      TYR  35  10.166  -7.211  -1.859
  250    HD1  TYR  35           HD2      TYR  35   8.310  -9.411  -1.904
  251    HD2  TYR  35           HD1      TYR  35   8.366  -5.889  -4.406
  252    HE1  TYR  35           HE2      TYR  35   6.968 -10.593  -3.620
  253    HE2  TYR  35           HE1      TYR  35   7.057  -7.113  -6.140
  254    HH   TYR  35           HH       TYR  35   6.082 -10.540  -5.650
  255    H    CYS  36           H        CYS  36   7.556  -5.641   1.556
  256    HA   CYS  36           HA       CYS  36  10.134  -4.386   2.359
  257    HB2  CYS  36           HB2      CYS  36   8.929  -2.306   2.453
  258    HB3  CYS  36           HB3      CYS  36   8.827  -2.992   0.845
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1   4.339  -7.010   4.925
    2    H2   ALA   1           H2       ALA   1   4.242  -6.138   3.526
    3    H3   ALA   1           H3       ALA   1   3.190  -7.378   3.814
    4    HA   ALA   1           HA       ALA   1   2.409  -6.162   5.818
    5    HB1  ALA   1           HB1      ALA   1   3.882  -3.885   4.419
    6    HB2  ALA   1           HB2      ALA   1   2.804  -3.725   5.828
    7    HB3  ALA   1           HB3      ALA   1   4.323  -4.632   5.973
    8    H    ALA   2           H        ALA   2   0.338  -5.164   5.634
    9    HA   ALA   2           HA       ALA   2  -0.798  -4.537   3.033
   10    HB1  ALA   2           HB1      ALA   2  -2.134  -6.619   2.904
   11    HB2  ALA   2           HB2      ALA   2  -0.426  -7.032   2.947
   12    HB3  ALA   2           HB3      ALA   2  -1.394  -7.195   4.420
   13    H    ALA   3           H        ALA   3  -3.427  -5.582   3.879
   14    HA   ALA   3           HA       ALA   3  -5.262  -5.185   5.056
   15    HB1  ALA   3           HB1      ALA   3  -3.795  -6.051   6.910
   16    HB2  ALA   3           HB2      ALA   3  -3.458  -4.344   7.335
   17    HB3  ALA   3           HB3      ALA   3  -5.110  -4.979   7.459
   18    H    ILE   4           H        ILE   4  -3.564  -2.637   4.031
   19    HA   ILE   4           HA       ILE   4  -4.635  -0.560   5.759
   20    HB   ILE   4           HB       ILE   4  -3.473   0.990   4.272
   21   HG12  ILE   4          HG12      ILE   4  -2.471  -1.438   2.716
   22   HG13  ILE   4          HG13      ILE   4  -3.768  -0.383   2.141
   23   HG21  ILE   4          HG21      ILE   4  -1.261   0.469   4.979
   24   HG22  ILE   4          HG22      ILE   4  -2.342  -0.213   6.194
   25   HG23  ILE   4          HG23      ILE   4  -1.593  -1.276   4.980
   26   HD11  ILE   4          HD11      ILE   4  -2.311   1.536   2.078
   27   HD12  ILE   4          HD12      ILE   4  -0.969   0.551   2.756
   28   HD13  ILE   4          HD13      ILE   4  -1.617   0.181   1.152
   29    H    SER   5           H        SER   5  -5.841   1.190   5.084
   30    HA   SER   5           HA       SER   5  -8.080   0.700   3.368
   31    HB2  SER   5           HB2      SER   5  -6.928   3.369   4.265
   32    HB3  SER   5           HB3      SER   5  -8.529   3.094   3.527
   33    HG   SER   5           HG       SER   5  -8.707   3.171   5.749
   34    H    CYS   6           H        CYS   6  -7.753   0.196   1.309
   35    HA   CYS   6           HA       CYS   6  -5.791   1.257  -0.489
   36    HB2  CYS   6           HB2      CYS   6  -6.952  -0.823  -0.873
   37    HB3  CYS   6           HB3      CYS   6  -8.514   0.008  -0.939
   38    H    VAL   7           H        VAL   7  -9.074   2.555   0.326
   39    HA   VAL   7           HA       VAL   7  -8.892   4.639  -1.718
   40    HB   VAL   7           HB       VAL   7 -10.687   5.763  -0.653
   41   HG11  VAL   7          HG11      VAL   7 -11.230   2.777  -0.495
   42   HG12  VAL   7          HG12      VAL   7 -12.391   4.092  -0.782
   43   HG13  VAL   7          HG13      VAL   7 -11.158   3.733  -1.994
   44   HG21  VAL   7          HG21      VAL   7 -10.380   3.918   1.747
   45   HG22  VAL   7          HG22      VAL   7 -10.313   5.695   1.714
   46   HG23  VAL   7          HG23      VAL   7 -11.829   4.870   1.398
   47    H    GLY   8           H        GLY   8  -8.092   4.441   1.675
   48    HA2  GLY   8           HA2      GLY   8  -7.016   5.892   3.132
   49    HA3  GLY   8           HA3      GLY   8  -5.775   5.554   1.925
   50    H    SER   9           H        SER   9  -4.718   7.076   1.170
   51    HA   SER   9           HA       SER   9  -5.981   9.514   0.201
   52    HB2  SER   9           HB2      SER   9  -5.582  10.211   2.474
   53    HB3  SER   9           HB3      SER   9  -3.911   9.684   2.400
   54    HG   SER   9           HG       SER   9  -3.937  11.833   2.028
   55    HA   PRO  10           HA       PRO  10  -1.892   8.513  -1.971
   56    HB2  PRO  10           HB2      PRO  10   0.040   6.989  -0.915
   57    HB3  PRO  10           HB3      PRO  10  -0.053   8.742  -0.495
   58    HG2  PRO  10           HG2      PRO  10  -1.130   6.379   1.047
   59    HG3  PRO  10           HG3      PRO  10  -0.110   7.689   1.701
   60    HD2  PRO  10           HD2      PRO  10  -2.862   7.672   1.904
   61    HD3  PRO  10           HD3      PRO  10  -1.934   9.197   1.693
   62    H    GLU  11           H        GLU  11  -1.397   6.388  -3.113
   63    HA   GLU  11           HA       GLU  11  -3.696   4.675  -2.984
   64    HB2  GLU  11           HB2      GLU  11  -1.125   4.266  -4.570
   65    HB3  GLU  11           HB3      GLU  11  -2.635   3.403  -4.769
   66    HG2  GLU  11           HG2      GLU  11  -2.473   5.050  -6.502
   67    HG3  GLU  11           HG3      GLU  11  -3.788   5.479  -5.410
   68    H    CYS  12           H        CYS  12  -0.295   3.439  -2.736
   69    HA   CYS  12           HA       CYS  12  -1.140   1.829  -0.403
   70    HB2  CYS  12           HB2      CYS  12  -0.458   0.537  -3.050
   71    HB3  CYS  12           HB3      CYS  12  -0.421  -0.279  -1.499
   72    HA   PRO  13           HA       PRO  13   3.454   0.606  -0.930
   73    HB2  PRO  13           HB2      PRO  13   4.769   2.814  -2.409
   74    HB3  PRO  13           HB3      PRO  13   4.979   1.054  -2.547
   75    HG2  PRO  13           HG2      PRO  13   3.543   2.664  -4.342
   76    HG3  PRO  13           HG3      PRO  13   3.382   0.890  -4.168
   77    HD2  PRO  13           HD2      PRO  13   1.524   3.012  -3.340
   78    HD3  PRO  13           HD3      PRO  13   1.270   1.274  -3.567
   79    HA   PRO  14           HA       PRO  14   5.169   4.442   1.255
   80    HB2  PRO  14           HB2      PRO  14   3.913   6.853   1.328
   81    HB3  PRO  14           HB3      PRO  14   4.960   6.346  -0.035
   82    HG2  PRO  14           HG2      PRO  14   1.940   6.157   0.160
   83    HG3  PRO  14           HG3      PRO  14   2.917   6.849  -1.177
   84    HD2  PRO  14           HD2      PRO  14   1.952   4.317  -1.267
   85    HD3  PRO  14           HD3      PRO  14   3.565   4.721  -1.934
   86    H    LYS  15           H        LYS  15   1.768   3.709   1.391
   87    HA   LYS  15           HA       LYS  15   1.393   4.610   4.171
   88    HB2  LYS  15           HB2      LYS  15  -0.324   4.791   2.286
   89    HB3  LYS  15           HB3      LYS  15  -0.552   3.047   2.438
   90    HG2  LYS  15           HG2      LYS  15  -1.054   3.545   4.953
   91    HG3  LYS  15           HG3      LYS  15  -1.083   5.241   4.474
   92    HD2  LYS  15           HD2      LYS  15  -2.977   3.023   3.615
   93    HD3  LYS  15           HD3      LYS  15  -3.320   4.410   4.619
   94    HE2  LYS  15           HE2      LYS  15  -4.043   5.474   2.829
   95    HE3  LYS  15           HE3      LYS  15  -2.377   5.605   2.310
   96    HZ1  LYS  15           HZ1      LYS  15  -4.306   3.472   1.499
   97    HZ2  LYS  15           HZ2      LYS  15  -3.655   4.617   0.520
   98    HZ3  LYS  15           HZ3      LYS  15  -2.716   3.457   1.065
   99    H    CYS  16           H        CYS  16   2.133   1.573   2.519
  100    HA   CYS  16           HA       CYS  16   1.211  -0.322   4.346
  101    HB2  CYS  16           HB2      CYS  16   3.672  -0.249   2.586
  102    HB3  CYS  16           HB3      CYS  16   3.249  -1.676   3.524
  103    H    ARG  17           H        ARG  17   3.972   1.815   4.882
  104    HA   ARG  17           HA       ARG  17   3.984   1.149   7.681
  105    HB2  ARG  17           HB2      ARG  17   6.261   0.549   7.954
  106    HB3  ARG  17           HB3      ARG  17   5.443  -0.571   6.845
  107    HG2  ARG  17           HG2      ARG  17   6.535   0.515   4.916
  108    HG3  ARG  17           HG3      ARG  17   7.337   1.646   6.014
  109    HD2  ARG  17           HD2      ARG  17   8.817  -0.116   5.285
  110    HD3  ARG  17           HD3      ARG  17   8.625  -0.122   7.043
  111    HE   ARG  17           HE       ARG  17   7.634  -2.143   5.112
  112   HH11  ARG  17          HH11      ARG  17   7.686  -1.336   8.587
  113   HH12  ARG  17          HH12      ARG  17   6.668  -2.707   8.907
  114   HH21  ARG  17          HH21      ARG  17   6.860  -4.106   5.797
  115   HH22  ARG  17          HH22      ARG  17   6.187  -4.130   7.427
  116    H    ALA  18           H        ALA  18   5.746   2.598   8.823
  117    HA   ALA  18           HA       ALA  18   5.194   5.291   8.321
  118    HB1  ALA  18           HB1      ALA  18   6.902   5.735   9.994
  119    HB2  ALA  18           HB2      ALA  18   5.981   4.286  10.454
  120    HB3  ALA  18           HB3      ALA  18   7.598   4.114   9.771
  121    H    GLN  19           H        GLN  19   8.363   3.707   7.601
  122    HA   GLN  19           HA       GLN  19   9.218   5.983   5.993
  123    HB2  GLN  19           HB2      GLN  19  11.270   4.879   5.690
  124    HB3  GLN  19           HB3      GLN  19  10.768   4.591   7.348
  125    HG2  GLN  19           HG2      GLN  19   9.998   2.280   6.623
  126    HG3  GLN  19           HG3      GLN  19  10.621   2.618   5.023
  127   HE21  GLN  19          HE22      GLN  19  11.749   2.580   8.499
  128   HE22  GLN  19          HE21      GLN  19  13.366   2.071   8.064
  129    H    GLY  20           H        GLY  20   7.165   3.483   5.329
  130    HA2  GLY  20           HA2      GLY  20   6.027   2.810   3.524
  131    HA3  GLY  20           HA3      GLY  20   6.900   3.975   2.505
  132    H    CYS  21           H        CYS  21   6.163   1.796   1.393
  133    HA   CYS  21           HA       CYS  21   8.357  -0.216   1.381
  134    HB2  CYS  21           HB2      CYS  21   5.333  -0.355   1.174
  135    HB3  CYS  21           HB3      CYS  21   6.305  -1.645   0.531
  136    H    LYS  22           H        LYS  22   8.531  -1.536  -0.505
  137    HA   LYS  22           HA       LYS  22   9.313  -0.105  -2.756
  138    HB2  LYS  22           HB2      LYS  22   8.710  -3.092  -2.618
  139    HB3  LYS  22           HB3      LYS  22   9.739  -2.268  -3.801
  140    HG2  LYS  22           HG2      LYS  22  11.218  -1.552  -1.845
  141    HG3  LYS  22           HG3      LYS  22  10.231  -2.607  -0.820
  142    HD2  LYS  22           HD2      LYS  22  10.832  -4.551  -2.292
  143    HD3  LYS  22           HD3      LYS  22  11.834  -3.472  -3.259
  144    HE2  LYS  22           HE2      LYS  22  13.303  -4.638  -1.806
  145    HE3  LYS  22           HE3      LYS  22  13.202  -2.985  -1.207
  146    HZ1  LYS  22           HZ1      LYS  22  11.690  -3.733   0.503
  147    HZ2  LYS  22           HZ2      LYS  22  11.689  -5.275  -0.052
  148    HZ3  LYS  22           HZ3      LYS  22  13.068  -4.592   0.584
  149    H    ASN  23           H        ASN  23   6.628  -2.493  -2.931
  150    HA   ASN  23           HA       ASN  23   4.964  -0.724  -4.528
  151    HB2  ASN  23           HB2      ASN  23   6.705  -1.862  -6.135
  152    HB3  ASN  23           HB3      ASN  23   5.807  -3.339  -5.842
  153   HD21  ASN  23          HD22      ASN  23   5.554  -3.088  -8.312
  154   HD22  ASN  23          HD21      ASN  23   4.218  -2.072  -8.839
  155    H    GLY  24           H        GLY  24   2.880  -1.968  -5.213
  156    HA2  GLY  24           HA2      GLY  24   2.157  -4.352  -3.698
  157    HA3  GLY  24           HA3      GLY  24   1.458  -2.876  -3.035
  158    H    LYS  25           H        LYS  25  -0.407  -4.305  -3.467
  159    HA   LYS  25           HA       LYS  25  -1.793  -3.635  -6.010
  160    HB2  LYS  25           HB2      LYS  25  -0.596  -5.736  -6.359
  161    HB3  LYS  25           HB3      LYS  25  -1.287  -6.434  -4.903
  162    HG2  LYS  25           HG2      LYS  25  -2.478  -7.407  -6.671
  163    HG3  LYS  25           HG3      LYS  25  -3.588  -6.193  -6.037
  164    HD2  LYS  25           HD2      LYS  25  -2.843  -4.635  -7.892
  165    HD3  LYS  25           HD3      LYS  25  -1.755  -5.903  -8.456
  166    HE2  LYS  25           HE2      LYS  25  -3.695  -6.032  -9.844
  167    HE3  LYS  25           HE3      LYS  25  -3.752  -7.425  -8.766
  168    HZ1  LYS  25           HZ1      LYS  25  -5.364  -6.105  -7.373
  169    HZ2  LYS  25           HZ2      LYS  25  -5.298  -4.903  -8.437
  170    HZ3  LYS  25           HZ3      LYS  25  -5.930  -6.353  -8.899
  171    H    CYS  26           H        CYS  26  -3.771  -2.971  -5.578
  172    HA   CYS  26           HA       CYS  26  -5.204  -3.671  -3.081
  173    HB2  CYS  26           HB2      CYS  26  -5.060  -1.341  -3.694
  174    HB3  CYS  26           HB3      CYS  26  -5.699  -1.669  -5.298
  175    H    MET  27           H        MET  27  -7.388  -4.435  -3.130
  176    HA   MET  27           HA       MET  27  -8.315  -5.703  -5.689
  177    HB2  MET  27           HB2      MET  27  -8.334  -7.037  -2.965
  178    HB3  MET  27           HB3      MET  27  -9.067  -7.691  -4.426
  179    HG2  MET  27           HG2      MET  27  -6.097  -7.174  -4.011
  180    HG3  MET  27           HG3      MET  27  -6.884  -8.728  -3.862
  181    HE1  MET  27           HE1      MET  27  -7.676  -9.812  -7.483
  182    HE2  MET  27           HE2      MET  27  -7.559 -10.296  -5.777
  183    HE3  MET  27           HE3      MET  27  -8.786  -9.113  -6.288
  184    H    ASN  28           H        ASN  28  -9.266  -4.287  -2.537
  185    HA   ASN  28           HA       ASN  28 -11.797  -3.414  -3.708
  186    HB2  ASN  28           HB2      ASN  28 -13.161  -4.373  -1.894
  187    HB3  ASN  28           HB3      ASN  28 -12.433  -5.602  -2.898
  188   HD21  ASN  28          HD22      ASN  28 -13.394  -6.514  -0.655
  189   HD22  ASN  28          HD21      ASN  28 -12.127  -6.839   0.534
  190    H    ARG  29           H        ARG  29 -11.816  -3.393  -0.322
  191    HA   ARG  29           HA       ARG  29 -10.965  -0.581   0.004
  192    HB2  ARG  29           HB2      ARG  29 -11.560  -2.735   2.080
  193    HB3  ARG  29           HB3      ARG  29 -11.431  -1.012   2.397
  194    HG2  ARG  29           HG2      ARG  29 -13.527  -2.176   0.594
  195    HG3  ARG  29           HG3      ARG  29 -13.666  -2.110   2.359
  196    HD2  ARG  29           HD2      ARG  29 -14.849  -0.213   1.723
  197    HD3  ARG  29           HD3      ARG  29 -13.265   0.428   2.172
  198    HE   ARG  29           HE       ARG  29 -13.476  -0.199  -0.677
  199   HH11  ARG  29          HH11      ARG  29 -14.545   2.275   1.631
  200   HH12  ARG  29          HH12      ARG  29 -14.909   3.390   0.359
  201   HH21  ARG  29          HH21      ARG  29 -13.443   1.461  -2.103
  202   HH22  ARG  29          HH22      ARG  29 -14.244   2.955  -1.734
  203    H    LYS  30           H        LYS  30  -9.497  -3.725   0.032
  204    HA   LYS  30           HA       LYS  30  -7.326  -2.862   1.866
  205    HB2  LYS  30           HB2      LYS  30  -8.318  -5.626   1.076
  206    HB3  LYS  30           HB3      LYS  30  -6.987  -5.293   2.177
  207    HG2  LYS  30           HG2      LYS  30  -9.908  -4.483   2.647
  208    HG3  LYS  30           HG3      LYS  30  -9.048  -5.823   3.409
  209    HD2  LYS  30           HD2      LYS  30  -7.333  -4.046   4.207
  210    HD3  LYS  30           HD3      LYS  30  -8.559  -2.854   3.754
  211    HE2  LYS  30           HE2      LYS  30 -10.173  -4.144   5.284
  212    HE3  LYS  30           HE3      LYS  30  -8.753  -5.054   5.851
  213    HZ1  LYS  30           HZ1      LYS  30  -9.003  -3.209   7.316
  214    HZ2  LYS  30           HZ2      LYS  30  -7.761  -2.807   6.352
  215    HZ3  LYS  30           HZ3      LYS  30  -9.238  -2.141   6.053
  216    H    CYS  31           H        CYS  31  -5.218  -3.429   1.548
  217    HA   CYS  31           HA       CYS  31  -4.324  -3.988  -1.210
  218    HB2  CYS  31           HB2      CYS  31  -4.591  -1.415  -0.582
  219    HB3  CYS  31           HB3      CYS  31  -3.107  -1.682   0.312
  220    H    LYS  32           H        LYS  32  -2.390  -5.035  -1.364
  221    HA   LYS  32           HA       LYS  32  -0.820  -5.598   1.104
  222    HB2  LYS  32           HB2      LYS  32  -2.135  -7.487   0.363
  223    HB3  LYS  32           HB3      LYS  32  -1.633  -7.244  -1.316
  224    HG2  LYS  32           HG2      LYS  32   0.659  -7.870  -0.787
  225    HG3  LYS  32           HG3      LYS  32   0.239  -8.071   0.930
  226    HD2  LYS  32           HD2      LYS  32  -1.244  -9.934   0.437
  227    HD3  LYS  32           HD3      LYS  32  -1.134  -9.623  -1.318
  228    HE2  LYS  32           HE2      LYS  32   1.256  -9.993  -1.285
  229    HE3  LYS  32           HE3      LYS  32   1.230 -10.283   0.462
  230    HZ1  LYS  32           HZ1      LYS  32  -0.145 -12.255   0.044
  231    HZ2  LYS  32           HZ2      LYS  32  -0.091 -11.970  -1.601
  232    HZ3  LYS  32           HZ3      LYS  32   1.263 -12.368  -0.768
  233    H    CYS  33           H        CYS  33   1.308  -5.130   1.058
  234    HA   CYS  33           HA       CYS  33   2.565  -4.155  -1.443
  235    HB2  CYS  33           HB2      CYS  33   3.335  -3.989   1.475
  236    HB3  CYS  33           HB3      CYS  33   4.523  -3.816   0.201
  237    H    TYR  34           H        TYR  34   4.010  -5.345  -2.592
  238    HA   TYR  34           HA       TYR  34   3.866  -8.204  -2.213
  239    HB2  TYR  34           HB2      TYR  34   5.395  -6.452  -4.176
  240    HB3  TYR  34           HB3      TYR  34   5.352  -8.199  -4.264
  241    HD1  TYR  34           HD1      TYR  34   2.802  -9.218  -4.126
  242    HD2  TYR  34           HD2      TYR  34   3.974  -5.381  -5.740
  243    HE1  TYR  34           HE1      TYR  34   0.947  -9.324  -5.765
  244    HE2  TYR  34           HE2      TYR  34   2.120  -5.509  -7.371
  245    HH   TYR  34           HH       TYR  34   0.078  -8.444  -7.649
  246    H    TYR  35           H        TYR  35   6.541  -5.915  -1.880
  247    HA   TYR  35           HA       TYR  35   8.369  -8.068  -0.859
  248    HB2  TYR  35           HB2      TYR  35   9.058  -5.809  -2.746
  249    HB3  TYR  35           HB3      TYR  35  10.134  -7.097  -2.208
  250    HD1  TYR  35           HD1      TYR  35   9.151  -9.590  -2.725
  251    HD2  TYR  35           HD2      TYR  35   8.230  -5.983  -4.913
  252    HE1  TYR  35           HE1      TYR  35   8.544 -10.943  -4.721
  253    HE2  TYR  35           HE2      TYR  35   7.585  -7.336  -6.880
  254    HH   TYR  35           HH       TYR  35   7.819 -10.919  -6.855
  255    H    CYS  36           H        CYS  36   6.844  -6.290   0.849
  256    HA   CYS  36           HA       CYS  36   8.952  -5.403   2.558
  257    HB2  CYS  36           HB2      CYS  36   9.152  -3.566   1.075
  258    HB3  CYS  36           HB3      CYS  36   7.408  -3.380   0.941
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1   4.519  -6.513   5.606
    2    H2   ALA   1           H2       ALA   1   4.431  -4.896   5.289
    3    H3   ALA   1           H3       ALA   1   4.949  -5.950   4.119
    4    HA   ALA   1           HA       ALA   1   2.717  -5.286   3.631
    5    HB1  ALA   1           HB1      ALA   1   1.650  -7.562   3.659
    6    HB2  ALA   1           HB2      ALA   1   3.287  -7.567   3.028
    7    HB3  ALA   1           HB3      ALA   1   2.970  -8.144   4.664
    8    H    ALA   2           H        ALA   2   0.531  -4.795   4.371
    9    HA   ALA   2           HA       ALA   2  -0.228  -5.392   7.094
   10    HB1  ALA   2           HB1      ALA   2  -0.421  -3.012   7.792
   11    HB2  ALA   2           HB2      ALA   2   1.268  -3.453   7.518
   12    HB3  ALA   2           HB3      ALA   2   0.396  -2.500   6.299
   13    H    ALA   3           H        ALA   3  -2.490  -5.170   7.289
   14    HA   ALA   3           HA       ALA   3  -3.931  -4.653   4.767
   15    HB1  ALA   3           HB1      ALA   3  -5.924  -5.281   5.978
   16    HB2  ALA   3           HB2      ALA   3  -4.654  -6.514   6.126
   17    HB3  ALA   3           HB3      ALA   3  -5.002  -5.426   7.493
   18    H    ILE   4           H        ILE   4  -3.977  -2.643   4.184
   19    HA   ILE   4           HA       ILE   4  -4.865  -0.526   6.087
   20    HB   ILE   4           HB       ILE   4  -3.629   1.080   4.860
   21   HG12  ILE   4          HG12      ILE   4  -1.596  -0.012   3.600
   22   HG13  ILE   4          HG13      ILE   4  -2.710  -1.309   3.229
   23   HG21  ILE   4          HG21      ILE   4  -2.716  -0.010   6.879
   24   HG22  ILE   4          HG22      ILE   4  -1.880  -1.180   5.823
   25   HG23  ILE   4          HG23      ILE   4  -1.508   0.565   5.723
   26   HD11  ILE   4          HD11      ILE   4  -3.109   1.669   2.762
   27   HD12  ILE   4          HD12      ILE   4  -2.619   0.504   1.500
   28   HD13  ILE   4          HD13      ILE   4  -4.241   0.392   2.217
   29    H    SER   5           H        SER   5  -5.994   1.259   5.239
   30    HA   SER   5           HA       SER   5  -8.177   0.452   3.508
   31    HB2  SER   5           HB2      SER   5  -7.532   3.172   4.717
   32    HB3  SER   5           HB3      SER   5  -9.044   2.692   3.937
   33    HG   SER   5           HG       SER   5  -9.309   2.462   6.132
   34    H    CYS   6           H        CYS   6  -7.892   0.339   1.363
   35    HA   CYS   6           HA       CYS   6  -6.013   1.890  -0.174
   36    HB2  CYS   6           HB2      CYS   6  -6.947  -0.247  -0.841
   37    HB3  CYS   6           HB3      CYS   6  -8.554   0.460  -0.973
   38    H    VAL   7           H        VAL   7  -9.239   2.790   0.974
   39    HA   VAL   7           HA       VAL   7  -9.740   4.881  -0.935
   40    HB   VAL   7           HB       VAL   7 -11.449   5.666   0.633
   41   HG11  VAL   7          HG11      VAL   7 -12.855   3.726   0.572
   42   HG12  VAL   7          HG12      VAL   7 -11.867   3.775  -0.892
   43   HG13  VAL   7          HG13      VAL   7 -11.464   2.639   0.409
   44   HG21  VAL   7          HG21      VAL   7 -11.931   4.562   2.736
   45   HG22  VAL   7          HG22      VAL   7 -10.508   3.525   2.575
   46   HG23  VAL   7          HG23      VAL   7 -10.321   5.279   2.821
   47    H    GLY   8           H        GLY   8  -7.552   4.919   1.653
   48    HA2  GLY   8           HA2      GLY   8  -7.850   7.247   3.030
   49    HA3  GLY   8           HA3      GLY   8  -6.294   6.513   2.633
   50    H    SER   9           H        SER   9  -4.949   7.394   1.162
   51    HA   SER   9           HA       SER   9  -5.814   9.757  -0.445
   52    HB2  SER   9           HB2      SER   9  -3.896   9.811   1.832
   53    HB3  SER   9           HB3      SER   9  -3.404  10.675   0.357
   54    HG   SER   9           HG       SER   9  -5.136  11.941   0.438
   55    HA   PRO  10           HA       PRO  10  -2.271   7.487  -2.639
   56    HB2  PRO  10           HB2      PRO  10  -0.460   5.986  -1.351
   57    HB3  PRO  10           HB3      PRO  10  -0.314   7.780  -1.298
   58    HG2  PRO  10           HG2      PRO  10  -1.588   5.932   0.734
   59    HG3  PRO  10           HG3      PRO  10  -0.349   7.194   1.050
   60    HD2  PRO  10           HD2      PRO  10  -3.054   7.600   1.377
   61    HD3  PRO  10           HD3      PRO  10  -1.943   8.904   0.810
   62    H    GLU  11           H        GLU  11  -1.917   5.021  -3.218
   63    HA   GLU  11           HA       GLU  11  -4.363   3.568  -2.464
   64    HB2  GLU  11           HB2      GLU  11  -2.132   2.703  -4.323
   65    HB3  GLU  11           HB3      GLU  11  -3.728   1.973  -4.147
   66    HG2  GLU  11           HG2      GLU  11  -4.766   4.068  -4.997
   67    HG3  GLU  11           HG3      GLU  11  -3.149   4.767  -5.228
   68    H    CYS  12           H        CYS  12  -0.934   2.462  -2.642
   69    HA   CYS  12           HA       CYS  12  -1.417   0.795  -0.220
   70    HB2  CYS  12           HB2      CYS  12  -2.262  -0.447  -2.059
   71    HB3  CYS  12           HB3      CYS  12  -0.805  -0.245  -2.990
   72    HA   PRO  13           HA       PRO  13   3.164   0.051  -0.761
   73    HB2  PRO  13           HB2      PRO  13   4.712   1.704  -2.443
   74    HB3  PRO  13           HB3      PRO  13   4.179   0.027  -2.722
   75    HG2  PRO  13           HG2      PRO  13   2.975   2.573  -3.769
   76    HG3  PRO  13           HG3      PRO  13   3.079   0.973  -4.553
   77    HD2  PRO  13           HD2      PRO  13   0.780   1.909  -3.397
   78    HD3  PRO  13           HD3      PRO  13   1.210   0.185  -3.426
   79    HA   PRO  14           HA       PRO  14   4.730   4.163   0.949
   80    HB2  PRO  14           HB2      PRO  14   3.395   6.508   0.797
   81    HB3  PRO  14           HB3      PRO  14   4.400   5.903  -0.558
   82    HG2  PRO  14           HG2      PRO  14   1.409   5.601  -0.175
   83    HG3  PRO  14           HG3      PRO  14   2.265   6.217  -1.629
   84    HD2  PRO  14           HD2      PRO  14   1.439   3.621  -1.435
   85    HD3  PRO  14           HD3      PRO  14   2.999   4.062  -2.216
   86    H    LYS  15           H        LYS  15   1.267   3.483   1.155
   87    HA   LYS  15           HA       LYS  15   1.049   4.454   3.927
   88    HB2  LYS  15           HB2      LYS  15  -0.785   4.442   2.040
   89    HB3  LYS  15           HB3      LYS  15  -1.079   2.782   2.585
   90    HG2  LYS  15           HG2      LYS  15  -1.291   3.782   4.964
   91    HG3  LYS  15           HG3      LYS  15  -1.184   5.366   4.199
   92    HD2  LYS  15           HD2      LYS  15  -3.457   3.365   4.038
   93    HD3  LYS  15           HD3      LYS  15  -3.424   4.973   4.701
   94    HE2  LYS  15           HE2      LYS  15  -4.470   5.502   2.801
   95    HE3  LYS  15           HE3      LYS  15  -2.816   5.705   2.229
   96    HZ1  LYS  15           HZ1      LYS  15  -4.076   4.417   0.643
   97    HZ2  LYS  15           HZ2      LYS  15  -3.043   3.361   1.309
   98    HZ3  LYS  15           HZ3      LYS  15  -4.618   3.384   1.793
   99    H    CYS  16           H        CYS  16   2.060   1.520   2.465
  100    HA   CYS  16           HA       CYS  16   1.042  -0.415   4.192
  101    HB2  CYS  16           HB2      CYS  16   2.228  -0.634   1.976
  102    HB3  CYS  16           HB3      CYS  16   3.759  -0.473   2.829
  103    H    ARG  17           H        ARG  17   3.690   1.775   4.913
  104    HA   ARG  17           HA       ARG  17   3.736   1.086   7.710
  105    HB2  ARG  17           HB2      ARG  17   6.099   0.495   7.860
  106    HB3  ARG  17           HB3      ARG  17   5.211  -0.678   6.862
  107    HG2  ARG  17           HG2      ARG  17   6.098   0.335   4.804
  108    HG3  ARG  17           HG3      ARG  17   6.956   1.534   5.788
  109    HD2  ARG  17           HD2      ARG  17   8.458  -0.157   5.069
  110    HD3  ARG  17           HD3      ARG  17   8.330  -0.176   6.818
  111    HE   ARG  17           HE       ARG  17   7.096  -2.187   4.943
  112   HH11  ARG  17          HH11      ARG  17   8.211  -1.533   8.235
  113   HH12  ARG  17          HH12      ARG  17   8.524  -3.215   8.510
  114   HH21  ARG  17          HH21      ARG  17   7.295  -4.349   5.503
  115   HH22  ARG  17          HH22      ARG  17   7.659  -4.706   7.181
  116    H    ALA  18           H        ALA  18   5.397   2.533   8.858
  117    HA   ALA  18           HA       ALA  18   4.835   5.204   8.315
  118    HB1  ALA  18           HB1      ALA  18   7.124   3.901   9.851
  119    HB2  ALA  18           HB2      ALA  18   6.696   5.637   9.965
  120    HB3  ALA  18           HB3      ALA  18   5.535   4.398  10.488
  121    H    GLN  19           H        GLN  19   7.786   3.449   7.347
  122    HA   GLN  19           HA       GLN  19   8.813   5.793   5.824
  123    HB2  GLN  19           HB2      GLN  19  10.839   4.517   5.574
  124    HB3  GLN  19           HB3      GLN  19  10.378   4.728   7.263
  125    HG2  GLN  19           HG2      GLN  19   9.621   2.179   5.775
  126    HG3  GLN  19           HG3      GLN  19  11.232   2.441   6.393
  127   HE21  GLN  19          HE22      GLN  19  11.561   2.616   8.746
  128   HE22  GLN  19          HE21      GLN  19  10.265   2.112   9.848
  129    H    GLY  20           H        GLY  20   6.562   3.649   5.080
  130    HA2  GLY  20           HA2      GLY  20   5.676   2.688   3.257
  131    HA3  GLY  20           HA3      GLY  20   6.664   3.772   2.259
  132    H    CYS  21           H        CYS  21   6.007   1.461   1.266
  133    HA   CYS  21           HA       CYS  21   8.294  -0.445   1.521
  134    HB2  CYS  21           HB2      CYS  21   5.317  -0.676   0.969
  135    HB3  CYS  21           HB3      CYS  21   6.390  -1.901   0.342
  136    H    LYS  22           H        LYS  22   8.859  -1.739  -0.322
  137    HA   LYS  22           HA       LYS  22   9.812  -0.274  -2.490
  138    HB2  LYS  22           HB2      LYS  22   9.223  -3.273  -2.482
  139    HB3  LYS  22           HB3      LYS  22  10.301  -2.398  -3.596
  140    HG2  LYS  22           HG2      LYS  22  11.695  -1.728  -1.562
  141    HG3  LYS  22           HG3      LYS  22  10.697  -2.846  -0.597
  142    HD2  LYS  22           HD2      LYS  22  11.376  -4.716  -2.183
  143    HD3  LYS  22           HD3      LYS  22  12.397  -3.557  -3.044
  144    HE2  LYS  22           HE2      LYS  22  13.913  -4.640  -1.668
  145    HE3  LYS  22           HE3      LYS  22  13.569  -3.167  -0.765
  146    HZ1  LYS  22           HZ1      LYS  22  11.981  -4.502   0.588
  147    HZ2  LYS  22           HZ2      LYS  22  12.403  -5.863  -0.245
  148    HZ3  LYS  22           HZ3      LYS  22  13.506  -5.106   0.672
  149    H    ASN  23           H        ASN  23   7.100  -2.607  -2.847
  150    HA   ASN  23           HA       ASN  23   5.595  -0.720  -4.488
  151    HB2  ASN  23           HB2      ASN  23   7.256  -2.000  -6.024
  152    HB3  ASN  23           HB3      ASN  23   6.255  -3.413  -5.731
  153   HD21  ASN  23          HD22      ASN  23   6.497  -2.781  -8.279
  154   HD22  ASN  23          HD21      ASN  23   5.106  -1.873  -8.881
  155    H    GLY  24           H        GLY  24   3.429  -1.820  -5.133
  156    HA2  GLY  24           HA2      GLY  24   2.351  -4.062  -3.807
  157    HA3  GLY  24           HA3      GLY  24   2.052  -2.664  -2.759
  158    H    LYS  25           H        LYS  25  -0.046  -4.101  -3.791
  159    HA   LYS  25           HA       LYS  25  -1.323  -2.228  -5.746
  160    HB2  LYS  25           HB2      LYS  25  -1.269  -5.265  -5.780
  161    HB3  LYS  25           HB3      LYS  25  -2.440  -4.344  -6.700
  162    HG2  LYS  25           HG2      LYS  25   0.521  -3.846  -7.117
  163    HG3  LYS  25           HG3      LYS  25  -0.268  -5.263  -7.792
  164    HD2  LYS  25           HD2      LYS  25  -0.033  -3.437  -9.399
  165    HD3  LYS  25           HD3      LYS  25  -1.696  -4.001  -9.190
  166    HE2  LYS  25           HE2      LYS  25  -2.296  -2.061  -7.897
  167    HE3  LYS  25           HE3      LYS  25  -0.604  -1.537  -7.784
  168    HZ1  LYS  25           HZ1      LYS  25  -0.596  -1.085 -10.120
  169    HZ2  LYS  25           HZ2      LYS  25  -2.113  -1.687 -10.354
  170    HZ3  LYS  25           HZ3      LYS  25  -1.867  -0.319  -9.474
  171    H    CYS  26           H        CYS  26  -3.543  -2.068  -5.666
  172    HA   CYS  26           HA       CYS  26  -4.832  -2.884  -3.121
  173    HB2  CYS  26           HB2      CYS  26  -4.811  -0.554  -3.359
  174    HB3  CYS  26           HB3      CYS  26  -5.248  -0.615  -5.059
  175    H    MET  27           H        MET  27  -6.779  -3.856  -3.016
  176    HA   MET  27           HA       MET  27  -8.262  -4.599  -5.486
  177    HB2  MET  27           HB2      MET  27  -7.118  -6.633  -4.843
  178    HB3  MET  27           HB3      MET  27  -7.637  -6.459  -3.155
  179    HG2  MET  27           HG2      MET  27  -9.968  -6.779  -3.769
  180    HG3  MET  27           HG3      MET  27  -9.577  -6.696  -5.487
  181    HE1  MET  27           HE1      MET  27  -9.400  -8.706  -2.181
  182    HE2  MET  27           HE2      MET  27  -8.673 -10.259  -2.656
  183    HE3  MET  27           HE3      MET  27  -7.671  -8.795  -2.601
  184    H    ASN  28           H        ASN  28  -9.890  -3.276  -5.301
  185    HA   ASN  28           HA       ASN  28 -11.541  -1.997  -4.701
  186    HB2  ASN  28           HB2      ASN  28 -12.569  -4.291  -4.527
  187    HB3  ASN  28           HB3      ASN  28 -12.370  -4.180  -2.773
  188   HD21  ASN  28          HD22      ASN  28 -14.655  -4.191  -2.336
  189   HD22  ASN  28          HD21      ASN  28 -15.673  -2.824  -2.828
  190    H    ARG  29           H        ARG  29 -10.616  -3.270  -1.564
  191    HA   ARG  29           HA       ARG  29 -10.582  -0.511  -0.423
  192    HB2  ARG  29           HB2      ARG  29 -11.520  -3.092   0.921
  193    HB3  ARG  29           HB3      ARG  29 -11.564  -1.499   1.663
  194    HG2  ARG  29           HG2      ARG  29 -13.098  -2.097  -0.866
  195    HG3  ARG  29           HG3      ARG  29 -13.689  -2.588   0.734
  196    HD2  ARG  29           HD2      ARG  29 -13.628  -0.247   1.479
  197    HD3  ARG  29           HD3      ARG  29 -13.089   0.261  -0.132
  198    HE   ARG  29           HE       ARG  29 -15.515  -1.298  -0.332
  199   HH11  ARG  29          HH21      ARG  29 -14.643   1.815   1.025
  200   HH12  ARG  29          HH22      ARG  29 -16.106   2.564   0.449
  201   HH21  ARG  29          HH11      ARG  29 -17.425  -0.306  -0.908
  202   HH22  ARG  29          HH12      ARG  29 -17.683   1.375  -0.516
  203    H    LYS  30           H        LYS  30  -8.851  -3.448  -0.805
  204    HA   LYS  30           HA       LYS  30  -7.149  -2.941   1.648
  205    HB2  LYS  30           HB2      LYS  30  -8.114  -5.573   0.475
  206    HB3  LYS  30           HB3      LYS  30  -7.015  -5.418   1.834
  207    HG2  LYS  30           HG2      LYS  30  -9.917  -4.523   1.778
  208    HG3  LYS  30           HG3      LYS  30  -9.283  -5.968   2.545
  209    HD2  LYS  30           HD2      LYS  30  -8.022  -4.637   4.178
  210    HD3  LYS  30           HD3      LYS  30  -8.483  -3.140   3.354
  211    HE2  LYS  30           HE2      LYS  30  -9.915  -3.299   5.206
  212    HE3  LYS  30           HE3      LYS  30 -10.889  -3.661   3.787
  213    HZ1  LYS  30           HZ1      LYS  30  -9.787  -5.619   5.731
  214    HZ2  LYS  30           HZ2      LYS  30 -11.364  -5.228   5.540
  215    HZ3  LYS  30           HZ3      LYS  30 -10.617  -6.050   4.352
  216    H    CYS  31           H        CYS  31  -4.982  -3.922   1.629
  217    HA   CYS  31           HA       CYS  31  -3.744  -3.520  -1.085
  218    HB2  CYS  31           HB2      CYS  31  -3.514  -1.475  -0.043
  219    HB3  CYS  31           HB3      CYS  31  -3.415  -2.199   1.536
  220    H    LYS  32           H        LYS  32  -2.262  -4.864  -1.744
  221    HA   LYS  32           HA       LYS  32  -0.898  -6.754   0.158
  222    HB2  LYS  32           HB2      LYS  32  -2.407  -7.788  -1.537
  223    HB3  LYS  32           HB3      LYS  32  -1.442  -7.046  -2.815
  224    HG2  LYS  32           HG2      LYS  32   0.587  -8.336  -1.776
  225    HG3  LYS  32           HG3      LYS  32  -0.616  -9.182  -0.793
  226    HD2  LYS  32           HD2      LYS  32  -0.193 -10.587  -2.682
  227    HD3  LYS  32           HD3      LYS  32  -1.774  -9.835  -2.984
  228    HE2  LYS  32           HE2      LYS  32  -0.471  -8.024  -4.280
  229    HE3  LYS  32           HE3      LYS  32   0.943  -9.077  -4.167
  230    HZ1  LYS  32           HZ1      LYS  32  -0.406  -9.336  -6.247
  231    HZ2  LYS  32           HZ2      LYS  32  -0.320 -10.770  -5.404
  232    HZ3  LYS  32           HZ3      LYS  32  -1.666  -9.843  -5.376
  233    H    CYS  33           H        CYS  33   1.045  -6.046   0.635
  234    HA   CYS  33           HA       CYS  33   2.580  -4.313  -1.190
  235    HB2  CYS  33           HB2      CYS  33   3.298  -5.300   1.572
  236    HB3  CYS  33           HB3      CYS  33   4.057  -3.975   0.690
  237    H    TYR  34           H        TYR  34   4.044  -5.020  -2.602
  238    HA   TYR  34           HA       TYR  34   4.171  -7.756  -3.274
  239    HB2  TYR  34           HB2      TYR  34   5.788  -5.334  -4.124
  240    HB3  TYR  34           HB3      TYR  34   6.138  -6.933  -4.722
  241    HD1  TYR  34           HD1      TYR  34   2.552  -6.713  -4.454
  242    HD2  TYR  34           HD2      TYR  34   5.974  -5.604  -6.851
  243    HE1  TYR  34           HE1      TYR  34   1.126  -6.615  -6.477
  244    HE2  TYR  34           HE2      TYR  34   4.531  -5.465  -8.857
  245    HH   TYR  34           HH       TYR  34   2.444  -5.669  -9.681
  246    H    TYR  35           H        TYR  35   6.897  -5.784  -2.134
  247    HA   TYR  35           HA       TYR  35   8.382  -8.247  -1.340
  248    HB2  TYR  35           HB2      TYR  35   9.513  -5.763  -2.593
  249    HB3  TYR  35           HB3      TYR  35  10.318  -7.292  -2.411
  250    HD1  TYR  35           HD1      TYR  35   8.457  -9.255  -3.635
  251    HD2  TYR  35           HD2      TYR  35   9.392  -5.204  -4.820
  252    HE1  TYR  35           HE1      TYR  35   7.701  -9.744  -5.952
  253    HE2  TYR  35           HE2      TYR  35   8.621  -5.713  -7.116
  254    HH   TYR  35           HH       TYR  35   7.256  -8.857  -8.103
  255    H    CYS  36           H        CYS  36   6.848  -6.516   0.467
  256    HA   CYS  36           HA       CYS  36   8.824  -5.760   2.479
  257    HB2  CYS  36           HB2      CYS  36   9.121  -3.926   0.963
  258    HB3  CYS  36           HB3      CYS  36   7.385  -3.719   0.760
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1   3.254  -7.627   4.973
    2    H2   ALA   1           H2       ALA   1   2.858  -7.087   6.486
    3    H3   ALA   1           H3       ALA   1   3.549  -6.067   5.408
    4    HA   ALA   1           HA       ALA   1   1.680  -6.107   3.978
    5    HB1  ALA   1           HB1      ALA   1   0.486  -7.988   6.061
    6    HB2  ALA   1           HB2      ALA   1  -0.329  -7.385   4.601
    7    HB3  ALA   1           HB3      ALA   1   1.069  -8.456   4.445
    8    H    ALA   2           H        ALA   2  -0.588  -5.065   4.588
    9    HA   ALA   2           HA       ALA   2  -0.862  -4.046   7.279
   10    HB1  ALA   2           HB1      ALA   2   0.676  -2.328   6.363
   11    HB2  ALA   2           HB2      ALA   2  -0.431  -2.073   4.990
   12    HB3  ALA   2           HB3      ALA   2  -0.941  -1.656   6.646
   13    H    ALA   3           H        ALA   3  -2.973  -4.224   7.711
   14    HA   ALA   3           HA       ALA   3  -4.923  -4.542   5.561
   15    HB1  ALA   3           HB1      ALA   3  -6.408  -5.216   7.320
   16    HB2  ALA   3           HB2      ALA   3  -4.851  -6.047   7.480
   17    HB3  ALA   3           HB3      ALA   3  -5.243  -4.690   8.569
   18    H    ILE   4           H        ILE   4  -4.635  -2.396   4.705
   19    HA   ILE   4           HA       ILE   4  -6.175  -0.270   6.110
   20    HB   ILE   4           HB       ILE   4  -4.694   1.370   4.950
   21   HG12  ILE   4          HG12      ILE   4  -3.079  -1.105   4.266
   22   HG13  ILE   4          HG13      ILE   4  -3.656   0.202   3.229
   23   HG21  ILE   4          HG21      ILE   4  -2.994   1.387   6.649
   24   HG22  ILE   4          HG22      ILE   4  -4.502   0.812   7.371
   25   HG23  ILE   4          HG23      ILE   4  -3.218  -0.356   6.968
   26   HD11  ILE   4          HD11      ILE   4  -1.275   0.374   3.538
   27   HD12  ILE   4          HD12      ILE   4  -2.043   1.721   4.442
   28   HD13  ILE   4          HD13      ILE   4  -1.414   0.298   5.294
   29    H    SER   5           H        SER   5  -7.369   1.133   4.802
   30    HA   SER   5           HA       SER   5  -8.340  -0.164   2.437
   31    HB2  SER   5           HB2      SER   5 -10.007   1.329   2.248
   32    HB3  SER   5           HB3      SER   5  -9.700   1.340   3.983
   33    HG   SER   5           HG       SER   5  -9.997   3.395   3.120
   34    H    CYS   6           H        CYS   6  -7.769  -0.085   0.519
   35    HA   CYS   6           HA       CYS   6  -5.628   1.173  -0.775
   36    HB2  CYS   6           HB2      CYS   6  -7.301  -0.590  -1.638
   37    HB3  CYS   6           HB3      CYS   6  -8.341   0.785  -2.062
   38    H    VAL   7           H        VAL   7  -8.889   2.538  -0.154
   39    HA   VAL   7           HA       VAL   7  -8.680   4.994  -1.541
   40    HB   VAL   7           HB       VAL   7 -10.057   4.583   1.145
   41   HG11  VAL   7          HG11      VAL   7 -11.614   6.294   0.310
   42   HG12  VAL   7          HG12      VAL   7  -9.974   6.930   0.410
   43   HG13  VAL   7          HG13      VAL   7 -10.657   6.466  -1.170
   44   HG21  VAL   7          HG21      VAL   7 -12.091   4.021  -0.153
   45   HG22  VAL   7          HG22      VAL   7 -11.113   3.966  -1.633
   46   HG23  VAL   7          HG23      VAL   7 -10.844   2.792  -0.325
   47    H    GLY   8           H        GLY   8  -7.964   4.332   1.902
   48    HA2  GLY   8           HA2      GLY   8  -6.888   5.635   3.516
   49    HA3  GLY   8           HA3      GLY   8  -5.564   5.329   2.401
   50    H    SER   9           H        SER   9  -4.338   6.955   2.294
   51    HA   SER   9           HA       SER   9  -5.516   9.605   1.459
   52    HB2  SER   9           HB2      SER   9  -4.648  10.067   3.537
   53    HB3  SER   9           HB3      SER   9  -3.292   8.975   3.354
   54    HG   SER   9           HG       SER   9  -3.686  11.515   2.110
   55    HA   PRO  10           HA       PRO  10  -2.053   8.549  -1.705
   56    HB2  PRO  10           HB2      PRO  10  -0.070   6.840  -1.154
   57    HB3  PRO  10           HB3      PRO  10  -0.060   8.500  -0.497
   58    HG2  PRO  10           HG2      PRO  10  -0.982   5.971   0.912
   59    HG3  PRO  10           HG3      PRO  10   0.155   7.216   1.526
   60    HD2  PRO  10           HD2      PRO  10  -2.506   7.159   2.114
   61    HD3  PRO  10           HD3      PRO  10  -1.564   8.681   1.964
   62    H    GLU  11           H        GLU  11  -1.224   6.042  -2.841
   63    HA   GLU  11           HA       GLU  11  -3.847   4.689  -2.986
   64    HB2  GLU  11           HB2      GLU  11  -1.407   4.326  -4.713
   65    HB3  GLU  11           HB3      GLU  11  -2.968   3.535  -4.904
   66    HG2  GLU  11           HG2      GLU  11  -4.037   5.838  -5.079
   67    HG3  GLU  11           HG3      GLU  11  -2.410   6.513  -5.161
   68    H    CYS  12           H        CYS  12  -0.472   3.326  -2.659
   69    HA   CYS  12           HA       CYS  12  -1.514   1.597  -0.525
   70    HB2  CYS  12           HB2      CYS  12  -2.376   0.443  -2.432
   71    HB3  CYS  12           HB3      CYS  12  -0.814   0.377  -3.201
   72    HA   PRO  13           HA       PRO  13   3.031   0.290  -0.814
   73    HB2  PRO  13           HB2      PRO  13   4.807   1.989  -2.192
   74    HB3  PRO  13           HB3      PRO  13   4.222   0.379  -2.676
   75    HG2  PRO  13           HG2      PRO  13   3.304   3.076  -3.593
   76    HG3  PRO  13           HG3      PRO  13   3.310   1.532  -4.486
   77    HD2  PRO  13           HD2      PRO  13   1.057   2.684  -3.372
   78    HD3  PRO  13           HD3      PRO  13   1.236   0.940  -3.627
   79    HA   PRO  14           HA       PRO  14   4.819   4.196   1.138
   80    HB2  PRO  14           HB2      PRO  14   3.538   6.579   1.279
   81    HB3  PRO  14           HB3      PRO  14   4.421   6.051  -0.189
   82    HG2  PRO  14           HG2      PRO  14   1.455   5.735   0.394
   83    HG3  PRO  14           HG3      PRO  14   2.211   6.496  -1.049
   84    HD2  PRO  14           HD2      PRO  14   1.334   3.947  -1.037
   85    HD3  PRO  14           HD3      PRO  14   2.875   4.388  -1.869
   86    H    LYS  15           H        LYS  15   1.449   3.469   1.648
   87    HA   LYS  15           HA       LYS  15   1.365   4.452   4.450
   88    HB2  LYS  15           HB2      LYS  15  -0.999   3.747   4.344
   89    HB3  LYS  15           HB3      LYS  15  -0.533   4.979   3.182
   90    HG2  LYS  15           HG2      LYS  15  -0.511   3.442   1.347
   91    HG3  LYS  15           HG3      LYS  15  -0.609   2.062   2.420
   92    HD2  LYS  15           HD2      LYS  15  -2.761   2.108   1.678
   93    HD3  LYS  15           HD3      LYS  15  -2.975   3.142   3.090
   94    HE2  LYS  15           HE2      LYS  15  -3.021   5.117   1.852
   95    HE3  LYS  15           HE3      LYS  15  -2.170   4.397   0.477
   96    HZ1  LYS  15           HZ1      LYS  15  -4.926   3.591   1.179
   97    HZ2  LYS  15           HZ2      LYS  15  -4.500   4.739   0.029
   98    HZ3  LYS  15           HZ3      LYS  15  -4.024   3.229  -0.168
   99    H    CYS  16           H        CYS  16   2.102   1.438   2.922
  100    HA   CYS  16           HA       CYS  16   1.232  -0.393   4.851
  101    HB2  CYS  16           HB2      CYS  16   3.567  -0.381   2.916
  102    HB3  CYS  16           HB3      CYS  16   3.216  -1.781   3.936
  103    H    ARG  17           H        ARG  17   4.110   1.658   5.077
  104    HA   ARG  17           HA       ARG  17   4.452   1.070   7.897
  105    HB2  ARG  17           HB2      ARG  17   6.818   0.432   7.736
  106    HB3  ARG  17           HB3      ARG  17   5.762  -0.758   6.941
  107    HG2  ARG  17           HG2      ARG  17   6.370   0.112   4.732
  108    HG3  ARG  17           HG3      ARG  17   7.332   1.393   5.483
  109    HD2  ARG  17           HD2      ARG  17   8.739  -0.317   4.643
  110    HD3  ARG  17           HD3      ARG  17   8.891  -0.217   6.401
  111    HE   ARG  17           HE       ARG  17   7.121  -2.239   6.253
  112   HH11  ARG  17          HH11      ARG  17  10.221  -1.904   4.643
  113   HH12  ARG  17          HH12      ARG  17  10.231  -3.625   4.233
  114   HH21  ARG  17          HH21      ARG  17   7.366  -4.361   5.861
  115   HH22  ARG  17          HH22      ARG  17   8.753  -4.932   4.918
  116    H    ALA  18           H        ALA  18   6.318   2.491   8.764
  117    HA   ALA  18           HA       ALA  18   5.671   5.149   8.329
  118    HB1  ALA  18           HB1      ALA  18   8.240   3.914   9.410
  119    HB2  ALA  18           HB2      ALA  18   7.743   5.611   9.645
  120    HB3  ALA  18           HB3      ALA  18   6.765   4.298  10.328
  121    H    GLN  19           H        GLN  19   8.650   3.593   7.073
  122    HA   GLN  19           HA       GLN  19   9.292   5.830   5.305
  123    HB2  GLN  19           HB2      GLN  19  11.238   4.597   4.713
  124    HB3  GLN  19           HB3      GLN  19  11.084   4.700   6.450
  125    HG2  GLN  19           HG2      GLN  19  10.090   2.235   4.952
  126    HG3  GLN  19           HG3      GLN  19  11.784   2.494   5.290
  127   HE21  GLN  19          HE22      GLN  19  12.589   1.984   7.358
  128   HE22  GLN  19          HE21      GLN  19  11.536   1.482   8.672
  129    H    GLY  20           H        GLY  20   6.966   3.601   4.932
  130    HA2  GLY  20           HA2      GLY  20   5.836   2.649   3.239
  131    HA3  GLY  20           HA3      GLY  20   6.694   3.729   2.115
  132    H    CYS  21           H        CYS  21   5.874   1.344   1.302
  133    HA   CYS  21           HA       CYS  21   8.146  -0.552   1.345
  134    HB2  CYS  21           HB2      CYS  21   5.203  -0.795   0.855
  135    HB3  CYS  21           HB3      CYS  21   6.298  -2.025   0.246
  136    H    LYS  22           H        LYS  22   8.973  -1.463  -0.471
  137    HA   LYS  22           HA       LYS  22   9.576  -0.079  -2.736
  138    HB2  LYS  22           HB2      LYS  22   9.174  -3.098  -2.729
  139    HB3  LYS  22           HB3      LYS  22  10.204  -2.163  -3.810
  140    HG2  LYS  22           HG2      LYS  22  11.488  -1.429  -1.680
  141    HG3  LYS  22           HG3      LYS  22  10.586  -2.742  -0.864
  142    HD2  LYS  22           HD2      LYS  22  11.468  -4.373  -2.436
  143    HD3  LYS  22           HD3      LYS  22  12.336  -3.095  -3.304
  144    HE2  LYS  22           HE2      LYS  22  14.013  -4.020  -2.002
  145    HE3  LYS  22           HE3      LYS  22  13.525  -2.601  -1.074
  146    HZ1  LYS  22           HZ1      LYS  22  12.097  -4.189   0.246
  147    HZ2  LYS  22           HZ2      LYS  22  12.803  -5.444  -0.533
  148    HZ3  LYS  22           HZ3      LYS  22  13.717  -4.443   0.397
  149    H    ASN  23           H        ASN  23   6.766  -2.313  -2.657
  150    HA   ASN  23           HA       ASN  23   5.385  -0.710  -4.644
  151    HB2  ASN  23           HB2      ASN  23   6.891  -2.413  -5.951
  152    HB3  ASN  23           HB3      ASN  23   5.762  -3.636  -5.360
  153   HD21  ASN  23          HD22      ASN  23   6.024  -0.624  -7.302
  154   HD22  ASN  23          HD21      ASN  23   4.654  -1.051  -8.318
  155    H    GLY  24           H        GLY  24   3.164  -1.540  -5.018
  156    HA2  GLY  24           HA2      GLY  24   1.945  -3.569  -3.567
  157    HA3  GLY  24           HA3      GLY  24   1.762  -2.126  -2.561
  158    H    LYS  25           H        LYS  25  -0.283  -3.714  -3.789
  159    HA   LYS  25           HA       LYS  25  -1.770  -1.801  -5.528
  160    HB2  LYS  25           HB2      LYS  25  -0.806  -4.581  -6.273
  161    HB3  LYS  25           HB3      LYS  25  -2.202  -3.878  -7.064
  162    HG2  LYS  25           HG2      LYS  25  -0.785  -1.876  -7.687
  163    HG3  LYS  25           HG3      LYS  25   0.614  -2.736  -7.018
  164    HD2  LYS  25           HD2      LYS  25   0.349  -4.526  -8.679
  165    HD3  LYS  25           HD3      LYS  25  -1.078  -3.713  -9.342
  166    HE2  LYS  25           HE2      LYS  25   0.851  -3.204 -10.731
  167    HE3  LYS  25           HE3      LYS  25   0.311  -1.730  -9.907
  168    HZ1  LYS  25           HZ1      LYS  25   2.139  -2.035  -8.315
  169    HZ2  LYS  25           HZ2      LYS  25   2.608  -3.432  -9.074
  170    HZ3  LYS  25           HZ3      LYS  25   2.752  -2.001  -9.816
  171    H    CYS  26           H        CYS  26  -3.991  -2.918  -6.089
  172    HA   CYS  26           HA       CYS  26  -5.104  -4.017  -3.527
  173    HB2  CYS  26           HB2      CYS  26  -6.321  -1.883  -5.300
  174    HB3  CYS  26           HB3      CYS  26  -6.947  -2.467  -3.764
  175    H    MET  27           H        MET  27  -7.330  -4.877  -3.711
  176    HA   MET  27           HA       MET  27  -8.088  -6.095  -6.329
  177    HB2  MET  27           HB2      MET  27  -8.049  -7.606  -3.675
  178    HB3  MET  27           HB3      MET  27  -8.522  -8.227  -5.250
  179    HG2  MET  27           HG2      MET  27  -6.179  -7.919  -6.044
  180    HG3  MET  27           HG3      MET  27  -5.741  -7.318  -4.431
  181    HE1  MET  27           HE1      MET  27  -7.938 -10.458  -5.656
  182    HE2  MET  27           HE2      MET  27  -6.468 -10.434  -6.660
  183    HE3  MET  27           HE3      MET  27  -6.712 -11.729  -5.472
  184    H    ASN  28           H        ASN  28  -9.064  -5.635  -2.931
  185    HA   ASN  28           HA       ASN  28 -11.906  -5.106  -3.666
  186    HB2  ASN  28           HB2      ASN  28 -11.436  -7.476  -2.974
  187    HB3  ASN  28           HB3      ASN  28 -10.782  -6.866  -1.449
  188   HD21  ASN  28          HD22      ASN  28 -12.467  -8.493  -0.779
  189   HD22  ASN  28          HD21      ASN  28 -14.083  -7.874  -0.465
  190    H    ARG  29           H        ARG  29 -10.801  -2.882  -3.486
  191    HA   ARG  29           HA       ARG  29  -9.665  -1.197  -2.495
  192    HB2  ARG  29           HB2      ARG  29 -11.267   0.145  -1.208
  193    HB3  ARG  29           HB3      ARG  29 -11.850  -0.509  -2.710
  194    HG2  ARG  29           HG2      ARG  29 -13.142  -2.260  -1.552
  195    HG3  ARG  29           HG3      ARG  29 -12.463  -1.720   0.004
  196    HD2  ARG  29           HD2      ARG  29 -14.611  -0.754  -0.164
  197    HD3  ARG  29           HD3      ARG  29 -13.436   0.535  -0.444
  198    HE   ARG  29           HE       ARG  29 -14.059   0.684  -2.713
  199   HH11  ARG  29          HH11      ARG  29 -16.106  -1.721  -1.088
  200   HH12  ARG  29          HH12      ARG  29 -17.187  -1.788  -2.456
  201   HH21  ARG  29          HH21      ARG  29 -15.627   0.641  -4.307
  202   HH22  ARG  29          HH22      ARG  29 -16.958  -0.468  -4.175
  203    H    LYS  30           H        LYS  30  -8.613  -3.494  -1.250
  204    HA   LYS  30           HA       LYS  30  -7.556  -2.274   1.301
  205    HB2  LYS  30           HB2      LYS  30  -8.257  -5.136   0.577
  206    HB3  LYS  30           HB3      LYS  30  -7.058  -4.772   1.817
  207    HG2  LYS  30           HG2      LYS  30  -8.641  -3.604   3.181
  208    HG3  LYS  30           HG3      LYS  30  -9.849  -3.568   1.886
  209    HD2  LYS  30           HD2      LYS  30 -10.370  -5.227   3.622
  210    HD3  LYS  30           HD3      LYS  30 -10.212  -5.931   2.008
  211    HE2  LYS  30           HE2      LYS  30  -7.925  -6.724   2.564
  212    HE3  LYS  30           HE3      LYS  30  -8.059  -6.002   4.179
  213    HZ1  LYS  30           HZ1      LYS  30  -9.908  -7.493   4.625
  214    HZ2  LYS  30           HZ2      LYS  30  -9.839  -8.145   3.136
  215    HZ3  LYS  30           HZ3      LYS  30  -8.594  -8.379   4.185
  216    H    CYS  31           H        CYS  31  -5.307  -2.521   1.714
  217    HA   CYS  31           HA       CYS  31  -3.792  -2.530  -0.861
  218    HB2  CYS  31           HB2      CYS  31  -3.712  -0.531   0.498
  219    HB3  CYS  31           HB3      CYS  31  -3.254  -1.484   1.908
  220    H    LYS  32           H        LYS  32  -2.451  -3.963  -1.512
  221    HA   LYS  32           HA       LYS  32  -1.222  -5.904   0.403
  222    HB2  LYS  32           HB2      LYS  32  -2.062  -6.321  -2.480
  223    HB3  LYS  32           HB3      LYS  32  -1.066  -7.410  -1.517
  224    HG2  LYS  32           HG2      LYS  32  -3.006  -7.358   0.226
  225    HG3  LYS  32           HG3      LYS  32  -3.969  -6.637  -1.064
  226    HD2  LYS  32           HD2      LYS  32  -4.431  -8.988  -1.004
  227    HD3  LYS  32           HD3      LYS  32  -3.490  -8.679  -2.474
  228    HE2  LYS  32           HE2      LYS  32  -1.449  -9.509  -1.390
  229    HE3  LYS  32           HE3      LYS  32  -2.275  -9.622   0.169
  230    HZ1  LYS  32           HZ1      LYS  32  -3.644 -11.383  -0.701
  231    HZ2  LYS  32           HZ2      LYS  32  -2.983 -11.222  -2.221
  232    HZ3  LYS  32           HZ3      LYS  32  -2.066 -11.768  -0.978
  233    H    CYS  33           H        CYS  33   0.710  -5.065   0.875
  234    HA   CYS  33           HA       CYS  33   2.451  -3.971  -1.246
  235    HB2  CYS  33           HB2      CYS  33   2.681  -4.186   1.747
  236    HB3  CYS  33           HB3      CYS  33   4.109  -3.935   0.739
  237    H    TYR  34           H        TYR  34   4.096  -4.958  -2.222
  238    HA   TYR  34           HA       TYR  34   3.896  -7.906  -2.201
  239    HB2  TYR  34           HB2      TYR  34   5.113  -5.936  -4.165
  240    HB3  TYR  34           HB3      TYR  34   5.031  -7.672  -4.393
  241    HD1  TYR  34           HD1      TYR  34   1.870  -7.309  -3.096
  242    HD2  TYR  34           HD2      TYR  34   4.223  -6.044  -6.488
  243    HE1  TYR  34           HE1      TYR  34  -0.173  -7.284  -4.524
  244    HE2  TYR  34           HE2      TYR  34   2.190  -6.134  -7.921
  245    HH   TYR  34           HH       TYR  34   0.041  -6.798  -8.073
  246    H    TYR  35           H        TYR  35   6.641  -5.594  -2.292
  247    HA   TYR  35           HA       TYR  35   8.531  -7.887  -1.937
  248    HB2  TYR  35           HB2      TYR  35   9.132  -5.298  -3.343
  249    HB3  TYR  35           HB3      TYR  35  10.016  -6.806  -3.428
  250    HD1  TYR  35           HD2      TYR  35   8.104  -8.864  -4.143
  251    HD2  TYR  35           HD1      TYR  35   8.295  -4.745  -5.437
  252    HE1  TYR  35           HE2      TYR  35   6.828  -9.440  -6.193
  253    HE2  TYR  35           HE1      TYR  35   7.017  -5.327  -7.480
  254    HH   TYR  35           HH       TYR  35   5.968  -6.977  -8.667
  255    H    CYS  36           H        CYS  36   7.531  -6.253   0.397
  256    HA   CYS  36           HA       CYS  36  10.142  -5.131   1.309
  257    HB2  CYS  36           HB2      CYS  36   9.007  -3.293   2.104
  258    HB3  CYS  36           HB3      CYS  36   8.384  -3.512   0.509
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1   5.142  -6.565   4.842
    2    H2   ALA   1           H2       ALA   1   4.220  -6.998   6.145
    3    H3   ALA   1           H3       ALA   1   4.705  -5.424   5.930
    4    HA   ALA   1           HA       ALA   1   3.422  -5.213   3.955
    5    HB1  ALA   1           HB1      ALA   1   1.915  -6.967   3.235
    6    HB2  ALA   1           HB2      ALA   1   3.516  -7.694   3.419
    7    HB3  ALA   1           HB3      ALA   1   2.282  -7.946   4.666
    8    H    ALA   2           H        ALA   2   0.963  -4.701   4.048
    9    HA   ALA   2           HA       ALA   2  -0.251  -4.831   6.703
   10    HB1  ALA   2           HB1      ALA   2  -0.430  -2.395   6.964
   11    HB2  ALA   2           HB2      ALA   2   1.271  -2.866   6.903
   12    HB3  ALA   2           HB3      ALA   2   0.498  -2.147   5.474
   13    H    ALA   3           H        ALA   3  -2.355  -5.157   6.437
   14    HA   ALA   3           HA       ALA   3  -3.605  -4.885   3.811
   15    HB1  ALA   3           HB1      ALA   3  -3.773  -6.882   5.273
   16    HB2  ALA   3           HB2      ALA   3  -4.673  -5.889   6.455
   17    HB3  ALA   3           HB3      ALA   3  -5.346  -6.182   4.828
   18    H    ILE   4           H        ILE   4  -3.315  -2.444   4.020
   19    HA   ILE   4           HA       ILE   4  -5.006  -1.056   5.938
   20    HB   ILE   4           HB       ILE   4  -3.905   0.971   5.081
   21   HG12  ILE   4          HG12      ILE   4  -1.559   0.228   4.056
   22   HG13  ILE   4          HG13      ILE   4  -2.490  -1.057   3.312
   23   HG21  ILE   4          HG21      ILE   4  -2.127  -1.205   6.141
   24   HG22  ILE   4          HG22      ILE   4  -1.867   0.573   6.190
   25   HG23  ILE   4          HG23      ILE   4  -3.208  -0.161   7.100
   26   HD11  ILE   4          HD11      ILE   4  -3.964   0.545   2.275
   27   HD12  ILE   4          HD12      ILE   4  -3.160   1.853   3.178
   28   HD13  ILE   4          HD13      ILE   4  -2.272   0.966   1.915
   29    H    SER   5           H        SER   5  -6.395   0.596   5.438
   30    HA   SER   5           HA       SER   5  -8.256   0.365   3.307
   31    HB2  SER   5           HB2      SER   5  -7.464   2.831   4.898
   32    HB3  SER   5           HB3      SER   5  -8.958   2.614   3.971
   33    HG   SER   5           HG       SER   5  -8.689   2.146   6.443
   34    H    CYS   6           H        CYS   6  -7.478   0.338   1.250
   35    HA   CYS   6           HA       CYS   6  -5.495   1.976   0.067
   36    HB2  CYS   6           HB2      CYS   6  -6.604  -0.131  -0.776
   37    HB3  CYS   6           HB3      CYS   6  -7.987   0.862  -1.238
   38    H    VAL   7           H        VAL   7  -8.773   2.826   0.905
   39    HA   VAL   7           HA       VAL   7  -9.187   4.983  -0.954
   40    HB   VAL   7           HB       VAL   7 -11.120   5.519   0.539
   41   HG11  VAL   7          HG11      VAL   7 -12.359   3.484   0.053
   42   HG12  VAL   7          HG12      VAL   7 -11.298   3.892  -1.302
   43   HG13  VAL   7          HG13      VAL   7 -10.856   2.573  -0.193
   44   HG21  VAL   7          HG21      VAL   7 -10.161   4.782   2.747
   45   HG22  VAL   7          HG22      VAL   7 -11.733   4.077   2.376
   46   HG23  VAL   7          HG23      VAL   7 -10.281   3.091   2.188
   47    H    GLY   8           H        GLY   8  -7.485   4.955   2.036
   48    HA2  GLY   8           HA2      GLY   8  -8.076   7.152   3.444
   49    HA3  GLY   8           HA3      GLY   8  -6.433   6.570   3.196
   50    H    SER   9           H        SER   9  -5.107   7.527   1.618
   51    HA   SER   9           HA       SER   9  -6.015   9.976   0.228
   52    HB2  SER   9           HB2      SER   9  -5.215  10.954   2.245
   53    HB3  SER   9           HB3      SER   9  -3.779   9.931   2.270
   54    HG   SER   9           HG       SER   9  -3.390  12.066   1.460
   55    HA   PRO  10           HA       PRO  10  -2.460   7.883  -2.144
   56    HB2  PRO  10           HB2      PRO  10  -0.677   6.239  -0.988
   57    HB3  PRO  10           HB3      PRO  10  -0.480   8.022  -0.826
   58    HG2  PRO  10           HG2      PRO  10  -1.759   6.078   1.097
   59    HG3  PRO  10           HG3      PRO  10  -0.501   7.289   1.497
   60    HD2  PRO  10           HD2      PRO  10  -3.198   7.727   1.890
   61    HD3  PRO  10           HD3      PRO  10  -2.074   9.036   1.379
   62    H    GLU  11           H        GLU  11  -2.159   5.519  -2.946
   63    HA   GLU  11           HA       GLU  11  -4.411   3.838  -2.099
   64    HB2  GLU  11           HB2      GLU  11  -2.343   3.591  -4.301
   65    HB3  GLU  11           HB3      GLU  11  -3.410   2.273  -3.843
   66    HG2  GLU  11           HG2      GLU  11  -4.587   3.263  -5.569
   67    HG3  GLU  11           HG3      GLU  11  -5.397   3.840  -4.124
   68    H    CYS  12           H        CYS  12  -1.105   2.654  -2.680
   69    HA   CYS  12           HA       CYS  12  -1.502   0.979  -0.234
   70    HB2  CYS  12           HB2      CYS  12  -2.212  -0.173  -2.160
   71    HB3  CYS  12           HB3      CYS  12  -0.746   0.125  -3.027
   72    HA   PRO  13           HA       PRO  13   3.079   0.371  -0.518
   73    HB2  PRO  13           HB2      PRO  13   4.690   2.041  -2.119
   74    HB3  PRO  13           HB3      PRO  13   4.185   0.368  -2.444
   75    HG2  PRO  13           HG2      PRO  13   3.014   2.912  -3.521
   76    HG3  PRO  13           HG3      PRO  13   3.164   1.311  -4.301
   77    HD2  PRO  13           HD2      PRO  13   0.789   2.225  -3.256
   78    HD3  PRO  13           HD3      PRO  13   1.258   0.513  -3.285
   79    HA   PRO  14           HA       PRO  14   4.534   4.512   1.246
   80    HB2  PRO  14           HB2      PRO  14   3.204   6.846   1.029
   81    HB3  PRO  14           HB3      PRO  14   4.201   6.204  -0.315
   82    HG2  PRO  14           HG2      PRO  14   1.219   5.870   0.108
   83    HG3  PRO  14           HG3      PRO  14   2.037   6.506  -1.358
   84    HD2  PRO  14           HD2      PRO  14   1.286   3.898  -1.181
   85    HD3  PRO  14           HD3      PRO  14   2.843   4.356  -1.932
   86    H    LYS  15           H        LYS  15   1.229   3.486   1.555
   87    HA   LYS  15           HA       LYS  15   1.003   4.553   4.336
   88    HB2  LYS  15           HB2      LYS  15  -0.844   4.671   2.458
   89    HB3  LYS  15           HB3      LYS  15  -1.177   3.007   2.954
   90    HG2  LYS  15           HG2      LYS  15  -1.325   3.973   5.364
   91    HG3  LYS  15           HG3      LYS  15  -1.248   5.561   4.605
   92    HD2  LYS  15           HD2      LYS  15  -3.496   3.529   4.438
   93    HD3  LYS  15           HD3      LYS  15  -3.471   5.118   5.137
   94    HE2  LYS  15           HE2      LYS  15  -4.551   5.673   3.261
   95    HE3  LYS  15           HE3      LYS  15  -2.908   5.930   2.688
   96    HZ1  LYS  15           HZ1      LYS  15  -4.645   3.579   2.173
   97    HZ2  LYS  15           HZ2      LYS  15  -4.163   4.678   1.059
   98    HZ3  LYS  15           HZ3      LYS  15  -3.085   3.638   1.652
   99    H    CYS  16           H        CYS  16   2.000   1.771   2.730
  100    HA   CYS  16           HA       CYS  16   1.003  -0.252   4.484
  101    HB2  CYS  16           HB2      CYS  16   1.461  -0.444   2.095
  102    HB3  CYS  16           HB3      CYS  16   3.180  -0.237   2.371
  103    H    ARG  17           H        ARG  17   3.725   1.829   4.896
  104    HA   ARG  17           HA       ARG  17   4.436   0.650   7.418
  105    HB2  ARG  17           HB2      ARG  17   6.815   0.230   6.882
  106    HB3  ARG  17           HB3      ARG  17   5.690  -0.851   6.068
  107    HG2  ARG  17           HG2      ARG  17   6.053   0.107   3.947
  108    HG3  ARG  17           HG3      ARG  17   6.845   1.536   4.637
  109    HD2  ARG  17           HD2      ARG  17   8.459  -0.063   3.622
  110    HD3  ARG  17           HD3      ARG  17   8.749   0.281   5.321
  111    HE   ARG  17           HE       ARG  17   7.178  -2.169   4.791
  112   HH11  ARG  17          HH11      ARG  17  10.446  -0.933   5.538
  113   HH12  ARG  17          HH12      ARG  17  10.806  -2.447   6.335
  114   HH21  ARG  17          HH21      ARG  17   8.029  -4.131   5.548
  115   HH22  ARG  17          HH22      ARG  17   9.592  -4.069   6.328
  116    H    ALA  18           H        ALA  18   6.536   1.873   8.233
  117    HA   ALA  18           HA       ALA  18   5.735   4.387   8.874
  118    HB1  ALA  18           HB1      ALA  18   8.027   4.696   9.733
  119    HB2  ALA  18           HB2      ALA  18   7.442   3.057  10.040
  120    HB3  ALA  18           HB3      ALA  18   8.601   3.355   8.728
  121    H    GLN  19           H        GLN  19   8.104   3.802   6.236
  122    HA   GLN  19           HA       GLN  19   7.772   6.638   5.348
  123    HB2  GLN  19           HB2      GLN  19  10.045   6.349   4.317
  124    HB3  GLN  19           HB3      GLN  19   9.869   6.695   6.028
  125    HG2  GLN  19           HG2      GLN  19  11.615   5.047   5.525
  126    HG3  GLN  19           HG3      GLN  19  10.420   4.460   6.673
  127   HE21  GLN  19          HE22      GLN  19  11.480   4.192   3.249
  128   HE22  GLN  19          HE21      GLN  19  10.590   2.691   2.965
  129    H    GLY  20           H        GLY  20   7.993   3.305   4.139
  130    HA2  GLY  20           HA2      GLY  20   6.026   3.323   2.324
  131    HA3  GLY  20           HA3      GLY  20   7.301   4.148   1.414
  132    H    CYS  21           H        CYS  21   5.847   1.531   1.194
  133    HA   CYS  21           HA       CYS  21   7.630  -0.679   1.684
  134    HB2  CYS  21           HB2      CYS  21   5.126  -0.701   1.543
  135    HB3  CYS  21           HB3      CYS  21   5.266  -0.406  -0.191
  136    H    LYS  22           H        LYS  22   8.409  -2.137   0.032
  137    HA   LYS  22           HA       LYS  22   9.884  -1.002  -2.139
  138    HB2  LYS  22           HB2      LYS  22   9.099  -3.887  -1.693
  139    HB3  LYS  22           HB3      LYS  22  10.328  -3.300  -2.827
  140    HG2  LYS  22           HG2      LYS  22  11.445  -2.220  -0.717
  141    HG3  LYS  22           HG3      LYS  22  10.387  -3.310   0.202
  142    HD2  LYS  22           HD2      LYS  22  11.361  -5.249  -1.019
  143    HD3  LYS  22           HD3      LYS  22  12.426  -4.139  -1.885
  144    HE2  LYS  22           HE2      LYS  22  13.780  -5.009  -0.181
  145    HE3  LYS  22           HE3      LYS  22  13.320  -3.403   0.392
  146    HZ1  LYS  22           HZ1      LYS  22  11.541  -4.574   1.721
  147    HZ2  LYS  22           HZ2      LYS  22  12.177  -6.012   1.291
  148    HZ3  LYS  22           HZ3      LYS  22  13.052  -4.943   2.183
  149    H    ASN  23           H        ASN  23   6.899  -3.030  -2.388
  150    HA   ASN  23           HA       ASN  23   5.785  -1.240  -4.344
  151    HB2  ASN  23           HB2      ASN  23   7.443  -2.750  -5.687
  152    HB3  ASN  23           HB3      ASN  23   6.272  -4.041  -5.425
  153   HD21  ASN  23          HD22      ASN  23   6.934  -3.340  -8.008
  154   HD22  ASN  23          HD21      ASN  23   5.512  -2.544  -8.702
  155    H    GLY  24           H        GLY  24   3.590  -2.116  -5.096
  156    HA2  GLY  24           HA2      GLY  24   2.181  -4.183  -3.767
  157    HA3  GLY  24           HA3      GLY  24   1.935  -2.690  -2.850
  158    H    LYS  25           H        LYS  25  -0.203  -3.948  -3.889
  159    HA   LYS  25           HA       LYS  25  -1.349  -1.963  -5.764
  160    HB2  LYS  25           HB2      LYS  25  -1.124  -4.955  -6.293
  161    HB3  LYS  25           HB3      LYS  25  -2.485  -4.036  -6.913
  162    HG2  LYS  25           HG2      LYS  25  -0.775  -2.400  -7.924
  163    HG3  LYS  25           HG3      LYS  25   0.449  -3.639  -7.577
  164    HD2  LYS  25           HD2      LYS  25  -0.803  -5.266  -8.962
  165    HD3  LYS  25           HD3      LYS  25  -2.075  -4.057  -9.242
  166    HE2  LYS  25           HE2      LYS  25  -0.310  -2.527 -10.210
  167    HE3  LYS  25           HE3      LYS  25   0.838  -3.870 -10.113
  168    HZ1  LYS  25           HZ1      LYS  25  -1.686  -3.840 -11.689
  169    HZ2  LYS  25           HZ2      LYS  25  -0.163  -3.713 -12.298
  170    HZ3  LYS  25           HZ3      LYS  25  -0.653  -5.123 -11.620
  171    H    CYS  26           H        CYS  26  -3.754  -2.088  -5.849
  172    HA   CYS  26           HA       CYS  26  -4.928  -3.289  -3.378
  173    HB2  CYS  26           HB2      CYS  26  -5.909  -0.940  -5.022
  174    HB3  CYS  26           HB3      CYS  26  -6.726  -1.628  -3.618
  175    H    MET  27           H        MET  27  -6.881  -4.395  -3.417
  176    HA   MET  27           HA       MET  27  -7.573  -5.592  -6.079
  177    HB2  MET  27           HB2      MET  27  -8.058  -6.854  -3.371
  178    HB3  MET  27           HB3      MET  27  -8.195  -7.590  -4.959
  179    HG2  MET  27           HG2      MET  27  -5.633  -6.661  -3.604
  180    HG3  MET  27           HG3      MET  27  -6.177  -8.320  -3.816
  181    HE1  MET  27           HE1      MET  27  -3.200  -7.316  -4.660
  182    HE2  MET  27           HE2      MET  27  -3.843  -8.974  -4.693
  183    HE3  MET  27           HE3      MET  27  -3.060  -8.292  -6.134
  184    H    ASN  28           H        ASN  28  -9.224  -4.775  -3.002
  185    HA   ASN  28           HA       ASN  28 -11.683  -4.010  -4.537
  186    HB2  ASN  28           HB2      ASN  28 -12.242  -6.066  -3.520
  187    HB3  ASN  28           HB3      ASN  28 -11.366  -5.693  -2.050
  188   HD21  ASN  28          HD22      ASN  28 -12.706  -5.304  -0.353
  189   HD22  ASN  28          HD21      ASN  28 -14.249  -4.467  -0.464
  190    H    ARG  29           H        ARG  29 -10.741  -3.633  -1.102
  191    HA   ARG  29           HA       ARG  29 -10.288  -0.738  -1.575
  192    HB2  ARG  29           HB2      ARG  29 -11.498  -0.048   0.416
  193    HB3  ARG  29           HB3      ARG  29 -12.551  -0.732  -0.792
  194    HG2  ARG  29           HG2      ARG  29 -12.785  -2.810   0.498
  195    HG3  ARG  29           HG3      ARG  29 -11.491  -2.318   1.583
  196    HD2  ARG  29           HD2      ARG  29 -13.481  -1.933   2.782
  197    HD3  ARG  29           HD3      ARG  29 -12.914  -0.336   2.261
  198    HE   ARG  29           HE       ARG  29 -14.799  -1.480   0.370
  199   HH11  ARG  29          HH11      ARG  29 -14.688   0.279   3.424
  200   HH12  ARG  29          HH12      ARG  29 -16.304   0.912   3.217
  201   HH21  ARG  29          HH21      ARG  29 -16.935  -0.999   0.395
  202   HH22  ARG  29          HH22      ARG  29 -17.593   0.103   1.567
  203    H    LYS  30           H        LYS  30  -8.872  -3.459  -0.609
  204    HA   LYS  30           HA       LYS  30  -7.136  -2.043   1.367
  205    HB2  LYS  30           HB2      LYS  30  -7.913  -4.965   1.191
  206    HB3  LYS  30           HB3      LYS  30  -6.458  -4.410   2.030
  207    HG2  LYS  30           HG2      LYS  30  -7.853  -2.886   3.423
  208    HG3  LYS  30           HG3      LYS  30  -9.311  -3.553   2.656
  209    HD2  LYS  30           HD2      LYS  30  -8.803  -5.786   3.526
  210    HD3  LYS  30           HD3      LYS  30  -7.207  -5.245   4.054
  211    HE2  LYS  30           HE2      LYS  30  -8.858  -3.440   5.346
  212    HE3  LYS  30           HE3      LYS  30  -9.853  -4.907   5.352
  213    HZ1  LYS  30           HZ1      LYS  30  -7.839  -6.058   6.286
  214    HZ2  LYS  30           HZ2      LYS  30  -7.103  -4.584   6.417
  215    HZ3  LYS  30           HZ3      LYS  30  -8.450  -4.919   7.287
  216    H    CYS  31           H        CYS  31  -5.035  -2.630   1.434
  217    HA   CYS  31           HA       CYS  31  -3.698  -2.703  -1.223
  218    HB2  CYS  31           HB2      CYS  31  -3.227  -0.756   0.031
  219    HB3  CYS  31           HB3      CYS  31  -3.196  -1.655   1.524
  220    H    LYS  32           H        LYS  32  -2.425  -4.353  -1.804
  221    HA   LYS  32           HA       LYS  32  -1.450  -6.329   0.178
  222    HB2  LYS  32           HB2      LYS  32  -3.097  -7.380  -1.197
  223    HB3  LYS  32           HB3      LYS  32  -2.499  -6.598  -2.657
  224    HG2  LYS  32           HG2      LYS  32  -1.919  -8.998  -2.561
  225    HG3  LYS  32           HG3      LYS  32  -0.519  -7.933  -2.691
  226    HD2  LYS  32           HD2      LYS  32  -0.266  -8.165  -0.128
  227    HD3  LYS  32           HD3      LYS  32  -1.468  -9.469  -0.229
  228    HE2  LYS  32           HE2      LYS  32  -0.056 -10.784  -1.593
  229    HE3  LYS  32           HE3      LYS  32   0.897  -9.366  -2.097
  230    HZ1  LYS  32           HZ1      LYS  32   1.926  -9.240  -0.034
  231    HZ2  LYS  32           HZ2      LYS  32   0.911 -10.315   0.704
  232    HZ3  LYS  32           HZ3      LYS  32   2.028 -10.828  -0.401
  233    H    CYS  33           H        CYS  33   0.494  -5.618   0.614
  234    HA   CYS  33           HA       CYS  33   2.339  -4.486  -1.340
  235    HB2  CYS  33           HB2      CYS  33   2.490  -5.230   1.583
  236    HB3  CYS  33           HB3      CYS  33   3.884  -4.628   0.688
  237    H    TYR  34           H        TYR  34   4.246  -5.358  -2.078
  238    HA   TYR  34           HA       TYR  34   4.050  -8.263  -2.595
  239    HB2  TYR  34           HB2      TYR  34   5.636  -6.017  -3.884
  240    HB3  TYR  34           HB3      TYR  34   5.760  -7.707  -4.335
  241    HD1  TYR  34           HD1      TYR  34   2.243  -6.952  -3.719
  242    HD2  TYR  34           HD2      TYR  34   5.479  -6.561  -6.554
  243    HE1  TYR  34           HE1      TYR  34   0.608  -6.744  -5.573
  244    HE2  TYR  34           HE2      TYR  34   3.838  -6.380  -8.393
  245    HH   TYR  34           HH       TYR  34   1.664  -6.546  -8.990
  246    H    TYR  35           H        TYR  35   6.644  -5.974  -1.652
  247    HA   TYR  35           HA       TYR  35   8.304  -8.307  -0.763
  248    HB2  TYR  35           HB2      TYR  35   9.441  -5.942  -2.226
  249    HB3  TYR  35           HB3      TYR  35  10.203  -7.481  -1.876
  250    HD1  TYR  35           HD2      TYR  35   8.772  -9.583  -2.882
  251    HD2  TYR  35           HD1      TYR  35   8.862  -5.577  -4.465
  252    HE1  TYR  35           HE2      TYR  35   8.007 -10.437  -5.096
  253    HE2  TYR  35           HE1      TYR  35   8.118  -6.429  -6.674
  254    HH   TYR  35           HH       TYR  35   7.451  -8.226  -7.865
  255    H    CYS  36           H        CYS  36   6.745  -6.316   0.956
  256    HA   CYS  36           HA       CYS  36   8.979  -5.698   2.786
  257    HB2  CYS  36           HB2      CYS  36   8.384  -3.513   2.916
  258    HB3  CYS  36           HB3      CYS  36   8.244  -3.787   1.216
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1   3.519  -7.012   5.105
    2    H2   ALA   1           H2       ALA   1   3.183  -6.243   6.512
    3    H3   ALA   1           H3       ALA   1   3.436  -5.388   5.116
    4    HA   ALA   1           HA       ALA   1   1.400  -5.934   4.209
    5    HB1  ALA   1           HB1      ALA   1   1.692  -8.355   4.524
    6    HB2  ALA   1           HB2      ALA   1   1.313  -8.193   6.246
    7    HB3  ALA   1           HB3      ALA   1   0.070  -7.849   5.035
    8    H    ALA   2           H        ALA   2  -0.638  -4.855   4.872
    9    HA   ALA   2           HA       ALA   2  -1.027  -4.350   7.708
   10    HB1  ALA   2           HB1      ALA   2  -0.559  -2.037   5.769
   11    HB2  ALA   2           HB2      ALA   2  -1.049  -1.904   7.474
   12    HB3  ALA   2           HB3      ALA   2   0.565  -2.519   7.063
   13    H    ALA   3           H        ALA   3  -3.174  -4.272   8.078
   14    HA   ALA   3           HA       ALA   3  -4.979  -4.586   5.759
   15    HB1  ALA   3           HB1      ALA   3  -6.602  -5.183   7.428
   16    HB2  ALA   3           HB2      ALA   3  -5.108  -6.158   7.549
   17    HB3  ALA   3           HB3      ALA   3  -5.412  -4.838   8.716
   18    H    ILE   4           H        ILE   4  -5.192  -2.636   4.837
   19    HA   ILE   4           HA       ILE   4  -6.295  -0.359   6.450
   20    HB   ILE   4           HB       ILE   4  -4.850   1.094   5.054
   21   HG12  ILE   4          HG12      ILE   4  -3.494  -1.473   4.103
   22   HG13  ILE   4          HG13      ILE   4  -4.642  -0.568   3.121
   23   HG21  ILE   4          HG21      ILE   4  -4.136   0.234   7.322
   24   HG22  ILE   4          HG22      ILE   4  -3.170  -1.001   6.481
   25   HG23  ILE   4          HG23      ILE   4  -2.812   0.727   6.281
   26   HD11  ILE   4          HD11      ILE   4  -3.236   1.369   3.076
   27   HD12  ILE   4          HD12      ILE   4  -2.085   0.575   4.214
   28   HD13  ILE   4          HD13      ILE   4  -2.300  -0.070   2.599
   29    H    SER   5           H        SER   5  -7.096   1.422   4.925
   30    HA   SER   5           HA       SER   5  -8.718   0.223   2.744
   31    HB2  SER   5           HB2      SER   5  -9.819   1.937   4.104
   32    HB3  SER   5           HB3      SER   5  -8.571   3.112   3.595
   33    HG   SER   5           HG       SER   5 -10.696   2.860   2.375
   34    H    CYS   6           H        CYS   6  -7.949   0.150   0.777
   35    HA   CYS   6           HA       CYS   6  -5.564   1.410  -0.237
   36    HB2  CYS   6           HB2      CYS   6  -6.781  -0.414  -1.359
   37    HB3  CYS   6           HB3      CYS   6  -8.147   0.695  -1.610
   38    H    VAL   7           H        VAL   7  -8.916   2.625   0.115
   39    HA   VAL   7           HA       VAL   7  -8.708   4.877  -1.644
   40    HB   VAL   7           HB       VAL   7 -10.533   4.610   0.777
   41   HG11  VAL   7          HG11      VAL   7 -10.792   6.178  -1.825
   42   HG12  VAL   7          HG12      VAL   7 -12.028   6.063  -0.552
   43   HG13  VAL   7          HG13      VAL   7 -10.495   6.866  -0.209
   44   HG21  VAL   7          HG21      VAL   7 -10.958   3.629  -2.086
   45   HG22  VAL   7          HG22      VAL   7 -10.843   2.611  -0.632
   46   HG23  VAL   7          HG23      VAL   7 -12.210   3.703  -0.825
   47    H    GLY   8           H        GLY   8  -8.497   4.623   1.885
   48    HA2  GLY   8           HA2      GLY   8  -7.778   6.244   3.501
   49    HA3  GLY   8           HA3      GLY   8  -6.296   5.733   2.679
   50    H    SER   9           H        SER   9  -5.042   7.079   1.789
   51    HA   SER   9           HA       SER   9  -6.097   9.582   0.617
   52    HB2  SER   9           HB2      SER   9  -5.439  10.366   2.744
   53    HB3  SER   9           HB3      SER   9  -3.878   9.576   2.676
   54    HG   SER   9           HG       SER   9  -3.263  11.014   1.006
   55    HA   PRO  10           HA       PRO  10  -2.360   7.985  -1.861
   56    HB2  PRO  10           HB2      PRO  10  -0.426   6.464  -0.823
   57    HB3  PRO  10           HB3      PRO  10  -0.432   8.228  -0.468
   58    HG2  PRO  10           HG2      PRO  10  -1.557   5.964   1.213
   59    HG3  PRO  10           HG3      PRO  10  -0.411   7.224   1.766
   60    HD2  PRO  10           HD2      PRO  10  -3.131   7.423   2.125
   61    HD3  PRO  10           HD3      PRO  10  -2.111   8.860   1.756
   62    H    GLU  11           H        GLU  11  -1.828   5.663  -2.813
   63    HA   GLU  11           HA       GLU  11  -4.169   4.011  -2.351
   64    HB2  GLU  11           HB2      GLU  11  -1.913   3.475  -4.294
   65    HB3  GLU  11           HB3      GLU  11  -3.496   2.688  -4.208
   66    HG2  GLU  11           HG2      GLU  11  -4.522   5.034  -4.447
   67    HG3  GLU  11           HG3      GLU  11  -2.909   5.595  -4.892
   68    H    CYS  12           H        CYS  12  -0.736   2.829  -2.364
   69    HA   CYS  12           HA       CYS  12  -1.518   1.035  -0.107
   70    HB2  CYS  12           HB2      CYS  12  -2.341  -0.107  -1.983
   71    HB3  CYS  12           HB3      CYS  12  -0.871   0.103  -2.892
   72    HA   PRO  13           HA       PRO  13   3.093   0.065  -0.379
   73    HB2  PRO  13           HB2      PRO  13   4.727   1.805  -1.923
   74    HB3  PRO  13           HB3      PRO  13   4.279   0.114  -2.258
   75    HG2  PRO  13           HG2      PRO  13   3.059   2.639  -3.338
   76    HG3  PRO  13           HG3      PRO  13   3.256   1.058  -4.140
   77    HD2  PRO  13           HD2      PRO  13   0.856   1.880  -3.152
   78    HD3  PRO  13           HD3      PRO  13   1.355   0.184  -3.090
   79    HA   PRO  14           HA       PRO  14   4.501   4.172   1.564
   80    HB2  PRO  14           HB2      PRO  14   3.153   6.496   1.348
   81    HB3  PRO  14           HB3      PRO  14   4.245   5.913   0.054
   82    HG2  PRO  14           HG2      PRO  14   1.244   5.545   0.257
   83    HG3  PRO  14           HG3      PRO  14   2.161   6.225  -1.135
   84    HD2  PRO  14           HD2      PRO  14   1.400   3.612  -1.034
   85    HD3  PRO  14           HD3      PRO  14   2.983   4.097  -1.722
   86    H    LYS  15           H        LYS  15   1.206   3.084   1.617
   87    HA   LYS  15           HA       LYS  15   0.746   4.106   4.374
   88    HB2  LYS  15           HB2      LYS  15  -0.978   4.295   2.522
   89    HB3  LYS  15           HB3      LYS  15  -1.251   2.559   2.722
   90    HG2  LYS  15           HG2      LYS  15  -1.738   3.019   5.183
   91    HG3  LYS  15           HG3      LYS  15  -1.457   4.725   4.863
   92    HD2  LYS  15           HD2      LYS  15  -3.865   3.066   4.189
   93    HD3  LYS  15           HD3      LYS  15  -3.716   4.606   4.963
   94    HE2  LYS  15           HE2      LYS  15  -4.497   5.387   3.032
   95    HE3  LYS  15           HE3      LYS  15  -2.804   5.391   2.587
   96    HZ1  LYS  15           HZ1      LYS  15  -4.168   4.347   0.855
   97    HZ2  LYS  15           HZ2      LYS  15  -3.203   3.212   1.448
   98    HZ3  LYS  15           HZ3      LYS  15  -4.786   3.258   1.909
   99    H    CYS  16           H        CYS  16   1.681   1.178   2.721
  100    HA   CYS  16           HA       CYS  16   0.953  -0.632   4.826
  101    HB2  CYS  16           HB2      CYS  16   1.304  -1.147   2.393
  102    HB3  CYS  16           HB3      CYS  16   3.049  -1.085   2.674
  103    H    ARG  17           H        ARG  17   3.641   1.524   4.632
  104    HA   ARG  17           HA       ARG  17   4.344   0.998   7.341
  105    HB2  ARG  17           HB2      ARG  17   6.719   0.558   7.035
  106    HB3  ARG  17           HB3      ARG  17   5.721  -0.746   6.387
  107    HG2  ARG  17           HG2      ARG  17   6.093   0.122   4.081
  108    HG3  ARG  17           HG3      ARG  17   7.057   1.450   4.748
  109    HD2  ARG  17           HD2      ARG  17   8.489  -0.242   3.877
  110    HD3  ARG  17           HD3      ARG  17   8.706  -0.123   5.625
  111    HE   ARG  17           HE       ARG  17   6.762  -2.112   5.261
  112   HH11  ARG  17          HH11      ARG  17  10.097  -1.865   4.182
  113   HH12  ARG  17          HH12      ARG  17  10.313  -3.600   4.255
  114   HH21  ARG  17          HH21      ARG  17   7.267  -4.161   5.705
  115   HH22  ARG  17          HH22      ARG  17   8.598  -4.898   4.845
  116    H    ALA  18           H        ALA  18   5.983   2.503   8.099
  117    HA   ALA  18           HA       ALA  18   5.084   5.096   7.579
  118    HB1  ALA  18           HB1      ALA  18   7.631   4.105   8.937
  119    HB2  ALA  18           HB2      ALA  18   6.955   5.746   9.113
  120    HB3  ALA  18           HB3      ALA  18   6.042   4.336   9.692
  121    H    GLN  19           H        GLN  19   8.198   3.714   6.603
  122    HA   GLN  19           HA       GLN  19   8.974   6.032   4.948
  123    HB2  GLN  19           HB2      GLN  19  11.126   4.985   4.827
  124    HB3  GLN  19           HB3      GLN  19  10.593   5.196   6.489
  125    HG2  GLN  19           HG2      GLN  19  10.250   2.550   5.010
  126    HG3  GLN  19           HG3      GLN  19  11.726   3.021   5.833
  127   HE21  GLN  19          HE22      GLN  19  11.572   3.484   8.265
  128   HE22  GLN  19          HE21      GLN  19  10.251   2.749   9.140
  129    H    GLY  20           H        GLY  20   6.984   3.682   4.297
  130    HA2  GLY  20           HA2      GLY  20   6.011   2.955   2.406
  131    HA3  GLY  20           HA3      GLY  20   7.169   3.868   1.433
  132    H    CYS  21           H        CYS  21   5.859   1.122   1.403
  133    HA   CYS  21           HA       CYS  21   7.990  -0.854   1.312
  134    HB2  CYS  21           HB2      CYS  21   5.134  -0.671   0.470
  135    HB3  CYS  21           HB3      CYS  21   6.123  -1.863  -0.334
  136    H    LYS  22           H        LYS  22   8.989  -1.683  -0.489
  137    HA   LYS  22           HA       LYS  22   9.902   0.033  -2.529
  138    HB2  LYS  22           HB2      LYS  22   9.695  -3.000  -2.725
  139    HB3  LYS  22           HB3      LYS  22  10.767  -1.953  -3.660
  140    HG2  LYS  22           HG2      LYS  22  11.954  -1.296  -1.566
  141    HG3  LYS  22           HG3      LYS  22  10.865  -2.371  -0.653
  142    HD2  LYS  22           HD2      LYS  22  11.614  -4.266  -2.086
  143    HD3  LYS  22           HD3      LYS  22  12.817  -3.199  -2.809
  144    HE2  LYS  22           HE2      LYS  22  13.806  -4.649  -1.112
  145    HE3  LYS  22           HE3      LYS  22  13.951  -2.947  -0.659
  146    HZ1  LYS  22           HZ1      LYS  22  11.830  -4.734   0.391
  147    HZ2  LYS  22           HZ2      LYS  22  13.259  -4.446   1.168
  148    HZ3  LYS  22           HZ3      LYS  22  12.252  -3.191   0.912
  149    H    ASN  23           H        ASN  23   7.183  -2.247  -2.705
  150    HA   ASN  23           HA       ASN  23   5.757  -0.526  -4.462
  151    HB2  ASN  23           HB2      ASN  23   7.336  -1.967  -6.033
  152    HB3  ASN  23           HB3      ASN  23   6.196  -3.261  -5.716
  153   HD21  ASN  23          HD22      ASN  23   6.530  -2.418  -8.287
  154   HD22  ASN  23          HD21      ASN  23   5.092  -1.533  -8.784
  155    H    GLY  24           H        GLY  24   3.566  -1.483  -5.002
  156    HA2  GLY  24           HA2      GLY  24   2.556  -3.760  -3.521
  157    HA3  GLY  24           HA3      GLY  24   2.016  -2.226  -2.820
  158    H    LYS  25           H        LYS  25   0.005  -3.650  -3.600
  159    HA   LYS  25           HA       LYS  25  -0.980  -2.307  -6.058
  160    HB2  LYS  25           HB2      LYS  25  -0.011  -4.666  -6.502
  161    HB3  LYS  25           HB3      LYS  25  -1.452  -5.288  -5.696
  162    HG2  LYS  25           HG2      LYS  25  -2.867  -4.114  -7.364
  163    HG3  LYS  25           HG3      LYS  25  -1.405  -3.389  -8.075
  164    HD2  LYS  25           HD2      LYS  25  -0.566  -5.637  -8.651
  165    HD3  LYS  25           HD3      LYS  25  -2.057  -6.367  -8.034
  166    HE2  LYS  25           HE2      LYS  25  -1.891  -4.334 -10.311
  167    HE3  LYS  25           HE3      LYS  25  -1.876  -6.082 -10.544
  168    HZ1  LYS  25           HZ1      LYS  25  -4.081  -6.139  -9.440
  169    HZ2  LYS  25           HZ2      LYS  25  -4.114  -4.493  -9.428
  170    HZ3  LYS  25           HZ3      LYS  25  -4.068  -5.309 -10.856
  171    H    CYS  26           H        CYS  26  -3.100  -1.822  -6.113
  172    HA   CYS  26           HA       CYS  26  -4.600  -1.994  -3.599
  173    HB2  CYS  26           HB2      CYS  26  -4.463   0.053  -4.968
  174    HB3  CYS  26           HB3      CYS  26  -5.300  -0.785  -6.271
  175    H    MET  27           H        MET  27  -6.010  -3.426  -3.110
  176    HA   MET  27           HA       MET  27  -7.146  -5.449  -4.960
  177    HB2  MET  27           HB2      MET  27  -7.362  -5.084  -1.955
  178    HB3  MET  27           HB3      MET  27  -7.815  -6.523  -2.847
  179    HG2  MET  27           HG2      MET  27  -5.511  -7.066  -3.316
  180    HG3  MET  27           HG3      MET  27  -4.951  -5.490  -2.737
  181    HE1  MET  27           HE1      MET  27  -6.366  -8.953  -0.019
  182    HE2  MET  27           HE2      MET  27  -7.526  -8.111  -1.066
  183    HE3  MET  27           HE3      MET  27  -6.191  -9.036  -1.784
  184    H    ASN  28           H        ASN  28  -9.612  -5.861  -3.645
  185    HA   ASN  28           HA       ASN  28 -11.254  -3.558  -4.387
  186    HB2  ASN  28           HB2      ASN  28 -11.932  -5.983  -4.636
  187    HB3  ASN  28           HB3      ASN  28 -12.079  -6.068  -2.878
  188   HD21  ASN  28          HD22      ASN  28 -14.263  -6.628  -4.370
  189   HD22  ASN  28          HD21      ASN  28 -15.407  -5.279  -4.373
  190    H    ARG  29           H        ARG  29 -10.865  -1.867  -3.238
  191    HA   ARG  29           HA       ARG  29  -9.942  -0.548  -1.751
  192    HB2  ARG  29           HB2      ARG  29 -11.530  -0.008   0.153
  193    HB3  ARG  29           HB3      ARG  29 -12.135   0.017  -1.493
  194    HG2  ARG  29           HG2      ARG  29 -13.291  -2.065  -1.248
  195    HG3  ARG  29           HG3      ARG  29 -12.569  -2.368   0.345
  196    HD2  ARG  29           HD2      ARG  29 -13.804  -0.636   1.374
  197    HD3  ARG  29           HD3      ARG  29 -14.143   0.158  -0.174
  198    HE   ARG  29           HE       ARG  29 -15.451  -2.101  -0.632
  199   HH11  ARG  29          HH11      ARG  29 -15.545  -0.505   2.528
  200   HH12  ARG  29          HH12      ARG  29 -17.289  -0.782   2.614
  201   HH21  ARG  29          HH21      ARG  29 -17.660  -2.240  -0.386
  202   HH22  ARG  29          HH22      ARG  29 -18.337  -1.746   1.171
  203    H    LYS  30           H        LYS  30  -8.595  -3.071  -1.366
  204    HA   LYS  30           HA       LYS  30  -7.375  -2.456   1.314
  205    HB2  LYS  30           HB2      LYS  30  -8.031  -5.201   0.180
  206    HB3  LYS  30           HB3      LYS  30  -6.924  -4.931   1.532
  207    HG2  LYS  30           HG2      LYS  30  -8.713  -3.814   2.808
  208    HG3  LYS  30           HG3      LYS  30  -9.851  -4.076   1.471
  209    HD2  LYS  30           HD2      LYS  30  -9.609  -6.508   1.696
  210    HD3  LYS  30           HD3      LYS  30  -8.418  -6.286   2.998
  211    HE2  LYS  30           HE2      LYS  30 -10.122  -5.051   4.329
  212    HE3  LYS  30           HE3      LYS  30 -11.296  -5.276   3.021
  213    HZ1  LYS  30           HZ1      LYS  30 -10.114  -7.414   4.714
  214    HZ2  LYS  30           HZ2      LYS  30 -11.663  -6.929   4.661
  215    HZ3  LYS  30           HZ3      LYS  30 -10.995  -7.718   3.358
  216    H    CYS  31           H        CYS  31  -5.106  -3.541   1.503
  217    HA   CYS  31           HA       CYS  31  -3.615  -2.897  -1.034
  218    HB2  CYS  31           HB2      CYS  31  -3.425  -1.139   0.545
  219    HB3  CYS  31           HB3      CYS  31  -3.114  -2.267   1.861
  220    H    LYS  32           H        LYS  32  -2.196  -4.249  -1.829
  221    HA   LYS  32           HA       LYS  32  -1.194  -6.567  -0.233
  222    HB2  LYS  32           HB2      LYS  32  -2.510  -7.070  -2.338
  223    HB3  LYS  32           HB3      LYS  32  -1.313  -6.157  -3.257
  224    HG2  LYS  32           HG2      LYS  32  -0.715  -8.442  -3.510
  225    HG3  LYS  32           HG3      LYS  32   0.462  -7.765  -2.391
  226    HD2  LYS  32           HD2      LYS  32  -1.513  -8.684  -0.644
  227    HD3  LYS  32           HD3      LYS  32  -1.645  -9.831  -1.977
  228    HE2  LYS  32           HE2      LYS  32   0.891 -10.143  -1.801
  229    HE3  LYS  32           HE3      LYS  32   0.833  -9.133  -0.343
  230    HZ1  LYS  32           HZ1      LYS  32   0.723 -11.479   0.205
  231    HZ2  LYS  32           HZ2      LYS  32  -0.730 -10.775   0.603
  232    HZ3  LYS  32           HZ3      LYS  32  -0.557 -11.703  -0.771
  233    H    CYS  33           H        CYS  33   0.892  -6.526   0.378
  234    HA   CYS  33           HA       CYS  33   2.679  -4.420  -0.767
  235    HB2  CYS  33           HB2      CYS  33   2.954  -5.760   1.923
  236    HB3  CYS  33           HB3      CYS  33   3.629  -4.229   1.364
  237    H    TYR  34           H        TYR  34   4.128  -5.208  -2.201
  238    HA   TYR  34           HA       TYR  34   4.509  -8.066  -2.365
  239    HB2  TYR  34           HB2      TYR  34   5.512  -5.796  -4.098
  240    HB3  TYR  34           HB3      TYR  34   5.810  -7.496  -4.427
  241    HD1  TYR  34           HD1      TYR  34   3.404  -8.942  -4.028
  242    HD2  TYR  34           HD2      TYR  34   3.974  -5.000  -5.722
  243    HE1  TYR  34           HE1      TYR  34   1.323  -9.206  -5.354
  244    HE2  TYR  34           HE2      TYR  34   1.969  -5.340  -7.132
  245    HH   TYR  34           HH       TYR  34  -0.095  -8.267  -6.882
  246    H    TYR  35           H        TYR  35   7.238  -5.870  -2.858
  247    HA   TYR  35           HA       TYR  35   8.987  -8.040  -1.997
  248    HB2  TYR  35           HB2      TYR  35   9.807  -5.413  -3.220
  249    HB3  TYR  35           HB3      TYR  35  10.619  -6.975  -3.335
  250    HD1  TYR  35           HD2      TYR  35   8.860  -8.880  -4.425
  251    HD2  TYR  35           HD1      TYR  35   8.883  -4.627  -5.167
  252    HE1  TYR  35           HE2      TYR  35   7.552  -9.232  -6.515
  253    HE2  TYR  35           HE1      TYR  35   7.576  -4.989  -7.256
  254    HH   TYR  35           HH       TYR  35   6.448  -8.220  -8.274
  255    H    CYS  36           H        CYS  36   7.666  -6.688   0.205
  256    HA   CYS  36           HA       CYS  36   9.927  -5.439   1.632
  257    HB2  CYS  36           HB2      CYS  36   8.545  -3.546   2.037
  258    HB3  CYS  36           HB3      CYS  36   8.664  -3.784   0.337
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1   3.276  -7.325   3.333
    2    H2   ALA   1           H2       ALA   1   4.446  -6.811   4.362
    3    H3   ALA   1           H3       ALA   1   4.117  -5.936   3.022
    4    HA   ALA   1           HA       ALA   1   2.445  -6.312   5.407
    5    HB1  ALA   1           HB1      ALA   1   4.190  -4.578   5.569
    6    HB2  ALA   1           HB2      ALA   1   3.488  -3.774   4.147
    7    HB3  ALA   1           HB3      ALA   1   2.553  -3.902   5.652
    8    H    ALA   2           H        ALA   2   0.336  -5.314   5.433
    9    HA   ALA   2           HA       ALA   2  -0.941  -4.749   2.875
   10    HB1  ALA   2           HB1      ALA   2  -0.785  -7.283   3.049
   11    HB2  ALA   2           HB2      ALA   2  -1.750  -7.198   4.531
   12    HB3  ALA   2           HB3      ALA   2  -2.438  -6.680   2.972
   13    H    ALA   3           H        ALA   3  -3.569  -5.530   4.285
   14    HA   ALA   3           HA       ALA   3  -5.093  -4.815   5.737
   15    HB1  ALA   3           HB1      ALA   3  -2.738  -4.125   7.511
   16    HB2  ALA   3           HB2      ALA   3  -4.373  -4.585   8.032
   17    HB3  ALA   3           HB3      ALA   3  -3.329  -5.787   7.237
   18    H    ILE   4           H        ILE   4  -3.492  -2.451   4.254
   19    HA   ILE   4           HA       ILE   4  -4.367  -0.175   5.901
   20    HB   ILE   4           HB       ILE   4  -3.345   1.183   4.153
   21   HG12  ILE   4          HG12      ILE   4  -2.508  -1.407   2.770
   22   HG13  ILE   4          HG13      ILE   4  -3.883  -0.439   2.231
   23   HG21  ILE   4          HG21      ILE   4  -1.084   0.688   4.653
   24   HG22  ILE   4          HG22      ILE   4  -2.030   0.212   6.065
   25   HG23  ILE   4          HG23      ILE   4  -1.435  -1.023   4.933
   26   HD11  ILE   4          HD11      ILE   4  -2.462   1.493   1.823
   27   HD12  ILE   4          HD12      ILE   4  -1.042   0.555   2.411
   28   HD13  ILE   4          HD13      ILE   4  -1.893   0.057   0.945
   29    H    SER   5           H        SER   5  -5.464   1.635   4.879
   30    HA   SER   5           HA       SER   5  -7.795   0.846   3.275
   31    HB2  SER   5           HB2      SER   5  -8.448   3.218   3.467
   32    HB3  SER   5           HB3      SER   5  -8.221   2.394   5.013
   33    HG   SER   5           HG       SER   5  -7.252   4.330   5.201
   34    H    CYS   6           H        CYS   6  -7.306   0.344   1.222
   35    HA   CYS   6           HA       CYS   6  -5.435   1.536  -0.554
   36    HB2  CYS   6           HB2      CYS   6  -6.666  -0.529  -0.975
   37    HB3  CYS   6           HB3      CYS   6  -8.186   0.363  -1.019
   38    H    VAL   7           H        VAL   7  -8.635   2.809   0.486
   39    HA   VAL   7           HA       VAL   7  -8.616   4.953  -1.509
   40    HB   VAL   7           HB       VAL   7 -10.568   5.784  -0.498
   41   HG11  VAL   7          HG11      VAL   7 -10.769   2.766  -0.335
   42   HG12  VAL   7          HG12      VAL   7 -12.077   3.927  -0.609
   43   HG13  VAL   7          HG13      VAL   7 -10.807   3.732  -1.826
   44   HG21  VAL   7          HG21      VAL   7  -9.998   4.100   1.952
   45   HG22  VAL   7          HG22      VAL   7 -10.197   5.853   1.845
   46   HG23  VAL   7          HG23      VAL   7 -11.583   4.796   1.586
   47    H    GLY   8           H        GLY   8  -7.072   4.633   1.509
   48    HA2  GLY   8           HA2      GLY   8  -7.381   6.706   3.086
   49    HA3  GLY   8           HA3      GLY   8  -5.770   6.128   2.660
   50    H    SER   9           H        SER   9  -4.642   7.135   0.843
   51    HA   SER   9           HA       SER   9  -5.620   9.665  -0.216
   52    HB2  SER   9           HB2      SER   9  -3.610   9.688   2.016
   53    HB3  SER   9           HB3      SER   9  -3.494  10.906   0.715
   54    HG   SER   9           HG       SER   9  -5.950  10.371   1.962
   55    HA   PRO  10           HA       PRO  10  -1.687   8.238  -2.507
   56    HB2  PRO  10           HB2      PRO  10   0.127   6.581  -1.400
   57    HB3  PRO  10           HB3      PRO  10   0.167   8.341  -1.009
   58    HG2  PRO  10           HG2      PRO  10  -1.131   6.092   0.543
   59    HG3  PRO  10           HG3      PRO  10   0.021   7.298   1.200
   60    HD2  PRO  10           HD2      PRO  10  -2.687   7.611   1.429
   61    HD3  PRO  10           HD3      PRO  10  -1.615   9.014   1.109
   62    H    GLU  11           H        GLU  11  -1.078   5.944  -3.446
   63    HA   GLU  11           HA       GLU  11  -3.321   4.096  -3.260
   64    HB2  GLU  11           HB2      GLU  11  -0.589   3.699  -4.522
   65    HB3  GLU  11           HB3      GLU  11  -2.002   2.650  -4.711
   66    HG2  GLU  11           HG2      GLU  11  -3.236   4.477  -5.818
   67    HG3  GLU  11           HG3      GLU  11  -1.845   5.545  -5.634
   68    H    CYS  12           H        CYS  12  -0.013   2.848  -2.850
   69    HA   CYS  12           HA       CYS  12  -0.821   1.691  -0.229
   70    HB2  CYS  12           HB2      CYS  12  -0.036   0.010  -2.624
   71    HB3  CYS  12           HB3      CYS  12  -0.356  -0.550  -0.995
   72    HA   PRO  13           HA       PRO  13   3.925   0.550  -0.685
   73    HB2  PRO  13           HB2      PRO  13   4.948   2.848  -2.274
   74    HB3  PRO  13           HB3      PRO  13   5.374   1.129  -2.351
   75    HG2  PRO  13           HG2      PRO  13   3.737   2.497  -4.163
   76    HG3  PRO  13           HG3      PRO  13   3.823   0.734  -3.978
   77    HD2  PRO  13           HD2      PRO  13   1.640   2.459  -3.243
   78    HD3  PRO  13           HD3      PRO  13   1.738   0.697  -3.262
   79    HA   PRO  14           HA       PRO  14   5.039   4.625   1.470
   80    HB2  PRO  14           HB2      PRO  14   3.658   6.927   1.263
   81    HB3  PRO  14           HB3      PRO  14   4.788   6.388  -0.017
   82    HG2  PRO  14           HG2      PRO  14   1.789   5.976   0.100
   83    HG3  PRO  14           HG3      PRO  14   2.735   6.683  -1.254
   84    HD2  PRO  14           HD2      PRO  14   1.993   4.070  -1.215
   85    HD3  PRO  14           HD3      PRO  14   3.585   4.578  -1.862
   86    H    LYS  15           H        LYS  15   1.857   3.373   1.441
   87    HA   LYS  15           HA       LYS  15   1.150   4.429   4.136
   88    HB2  LYS  15           HB2      LYS  15  -0.384   4.587   2.094
   89    HB3  LYS  15           HB3      LYS  15  -0.665   2.865   2.300
   90    HG2  LYS  15           HG2      LYS  15  -1.366   3.396   4.716
   91    HG3  LYS  15           HG3      LYS  15  -1.213   5.108   4.301
   92    HD2  LYS  15           HD2      LYS  15  -3.201   3.121   3.134
   93    HD3  LYS  15           HD3      LYS  15  -3.529   4.434   4.248
   94    HE2  LYS  15           HE2      LYS  15  -3.887   5.809   2.569
   95    HE3  LYS  15           HE3      LYS  15  -2.215   5.660   2.080
   96    HZ1  LYS  15           HZ1      LYS  15  -3.732   5.040   0.238
   97    HZ2  LYS  15           HZ2      LYS  15  -2.884   3.755   0.638
   98    HZ3  LYS  15           HZ3      LYS  15  -4.428   3.884   1.180
   99    H    CYS  16           H        CYS  16   2.014   1.438   2.482
  100    HA   CYS  16           HA       CYS  16   1.120  -0.510   4.266
  101    HB2  CYS  16           HB2      CYS  16   3.465  -0.318   2.367
  102    HB3  CYS  16           HB3      CYS  16   3.268  -1.733   3.377
  103    H    ARG  17           H        ARG  17   3.859   1.656   4.795
  104    HA   ARG  17           HA       ARG  17   3.884   0.893   7.595
  105    HB2  ARG  17           HB2      ARG  17   6.239   0.534   7.812
  106    HB3  ARG  17           HB3      ARG  17   5.624  -0.598   6.594
  107    HG2  ARG  17           HG2      ARG  17   6.418   1.026   4.809
  108    HG3  ARG  17           HG3      ARG  17   7.191   1.967   6.085
  109    HD2  ARG  17           HD2      ARG  17   7.803  -0.884   5.277
  110    HD3  ARG  17           HD3      ARG  17   8.809   0.556   5.036
  111    HE   ARG  17           HE       ARG  17   8.140  -0.125   7.831
  112   HH11  ARG  17          HH11      ARG  17  10.791  -0.160   5.458
  113   HH12  ARG  17          HH12      ARG  17  11.815  -0.970   6.633
  114   HH21  ARG  17          HH21      ARG  17   9.578  -0.866   9.168
  115   HH22  ARG  17          HH22      ARG  17  11.242  -1.174   8.660
  116    H    ALA  18           H        ALA  18   5.294   2.366   8.868
  117    HA   ALA  18           HA       ALA  18   4.275   4.977   8.624
  118    HB1  ALA  18           HB1      ALA  18   4.918   3.774  10.699
  119    HB2  ALA  18           HB2      ALA  18   6.628   3.900  10.247
  120    HB3  ALA  18           HB3      ALA  18   5.692   5.371  10.615
  121    H    GLN  19           H        GLN  19   7.281   3.765   7.379
  122    HA   GLN  19           HA       GLN  19   8.193   6.460   6.479
  123    HB2  GLN  19           HB2      GLN  19  10.428   5.538   6.463
  124    HB3  GLN  19           HB3      GLN  19   9.704   5.536   8.061
  125    HG2  GLN  19           HG2      GLN  19   9.595   3.047   6.305
  126    HG3  GLN  19           HG3      GLN  19  11.021   3.484   7.219
  127   HE21  GLN  19          HE22      GLN  19  10.953   3.395   9.602
  128   HE22  GLN  19          HE21      GLN  19   9.647   2.466  10.363
  129    H    GLY  20           H        GLY  20   6.450   4.119   5.237
  130    HA2  GLY  20           HA2      GLY  20   5.947   3.323   3.177
  131    HA3  GLY  20           HA3      GLY  20   7.031   4.536   2.467
  132    H    CYS  21           H        CYS  21   6.602   1.986   1.382
  133    HA   CYS  21           HA       CYS  21   9.344   0.899   1.363
  134    HB2  CYS  21           HB2      CYS  21   7.590  -0.183   3.181
  135    HB3  CYS  21           HB3      CYS  21   7.272  -1.183   1.792
  136    H    LYS  22           H        LYS  22   8.786  -1.490   0.083
  137    HA   LYS  22           HA       LYS  22   8.622  -0.584  -2.623
  138    HB2  LYS  22           HB2      LYS  22   8.587  -3.461  -1.674
  139    HB3  LYS  22           HB3      LYS  22   9.088  -2.842  -3.258
  140    HG2  LYS  22           HG2      LYS  22  10.942  -1.551  -1.998
  141    HG3  LYS  22           HG3      LYS  22  10.530  -2.566  -0.606
  142    HD2  LYS  22           HD2      LYS  22  10.795  -4.550  -2.367
  143    HD3  LYS  22           HD3      LYS  22  11.673  -3.352  -3.300
  144    HE2  LYS  22           HE2      LYS  22  13.271  -4.613  -2.076
  145    HE3  LYS  22           HE3      LYS  22  13.194  -3.034  -1.290
  146    HZ1  LYS  22           HZ1      LYS  22  11.872  -3.990   0.457
  147    HZ2  LYS  22           HZ2      LYS  22  11.701  -5.430  -0.322
  148    HZ3  LYS  22           HZ3      LYS  22  13.173  -4.948   0.247
  149    H    ASN  23           H        ASN  23   7.443  -2.089  -4.222
  150    HA   ASN  23           HA       ASN  23   4.946  -0.860  -4.371
  151    HB2  ASN  23           HB2      ASN  23   6.294  -2.938  -6.095
  152    HB3  ASN  23           HB3      ASN  23   4.733  -2.239  -6.489
  153   HD21  ASN  23          HD22      ASN  23   6.167  -1.778  -8.403
  154   HD22  ASN  23          HD21      ASN  23   6.911  -0.158  -8.395
  155    H    GLY  24           H        GLY  24   2.826  -1.637  -4.930
  156    HA2  GLY  24           HA2      GLY  24   1.958  -4.243  -3.914
  157    HA3  GLY  24           HA3      GLY  24   1.525  -2.870  -2.887
  158    H    LYS  25           H        LYS  25  -0.373  -4.514  -3.817
  159    HA   LYS  25           HA       LYS  25  -1.842  -3.082  -5.989
  160    HB2  LYS  25           HB2      LYS  25  -0.660  -4.982  -6.885
  161    HB3  LYS  25           HB3      LYS  25  -1.322  -6.056  -5.658
  162    HG2  LYS  25           HG2      LYS  25  -3.248  -4.613  -7.478
  163    HG3  LYS  25           HG3      LYS  25  -2.265  -5.898  -8.164
  164    HD2  LYS  25           HD2      LYS  25  -3.104  -7.514  -6.502
  165    HD3  LYS  25           HD3      LYS  25  -4.066  -6.244  -5.740
  166    HE2  LYS  25           HE2      LYS  25  -5.043  -5.887  -8.168
  167    HE3  LYS  25           HE3      LYS  25  -4.405  -7.508  -8.482
  168    HZ1  LYS  25           HZ1      LYS  25  -6.695  -7.610  -7.751
  169    HZ2  LYS  25           HZ2      LYS  25  -5.783  -8.274  -6.557
  170    HZ3  LYS  25           HZ3      LYS  25  -6.371  -6.733  -6.409
  171    H    CYS  26           H        CYS  26  -3.986  -2.915  -5.851
  172    HA   CYS  26           HA       CYS  26  -5.175  -3.240  -3.178
  173    HB2  CYS  26           HB2      CYS  26  -5.084  -1.076  -4.285
  174    HB3  CYS  26           HB3      CYS  26  -6.006  -1.694  -5.645
  175    H    MET  27           H        MET  27  -7.382  -3.918  -2.849
  176    HA   MET  27           HA       MET  27  -8.598  -5.663  -4.909
  177    HB2  MET  27           HB2      MET  27  -7.056  -7.034  -3.447
  178    HB3  MET  27           HB3      MET  27  -8.090  -6.660  -2.070
  179    HG2  MET  27           HG2      MET  27  -8.509  -8.888  -3.066
  180    HG3  MET  27           HG3      MET  27  -9.945  -7.890  -3.122
  181    HE1  MET  27           HE1      MET  27 -10.426 -10.044  -6.312
  182    HE2  MET  27           HE2      MET  27  -9.818 -10.535  -4.718
  183    HE3  MET  27           HE3      MET  27 -11.185  -9.405  -4.839
  184    H    ASN  28           H        ASN  28 -10.250  -6.386  -2.171
  185    HA   ASN  28           HA       ASN  28 -12.435  -4.530  -2.689
  186    HB2  ASN  28           HB2      ASN  28 -13.569  -5.836  -0.967
  187    HB3  ASN  28           HB3      ASN  28 -12.884  -6.881  -2.205
  188   HD21  ASN  28          HD22      ASN  28 -13.706  -7.503   0.564
  189   HD22  ASN  28          HD21      ASN  28 -12.270  -8.257   1.264
  190    H    ARG  29           H        ARG  29 -11.441  -2.550  -2.228
  191    HA   ARG  29           HA       ARG  29 -10.061  -1.030  -1.348
  192    HB2  ARG  29           HB2      ARG  29 -11.235   0.183   0.433
  193    HB3  ARG  29           HB3      ARG  29 -12.216  -0.266  -0.962
  194    HG2  ARG  29           HG2      ARG  29 -13.362  -1.982   0.237
  195    HG3  ARG  29           HG3      ARG  29 -12.158  -1.975   1.545
  196    HD2  ARG  29           HD2      ARG  29 -14.137  -0.886   2.281
  197    HD3  ARG  29           HD3      ARG  29 -12.772   0.263   2.145
  198    HE   ARG  29           HE       ARG  29 -14.531   0.261  -0.196
  199   HH11  ARG  29          HH11      ARG  29 -14.223   1.631   3.041
  200   HH12  ARG  29          HH12      ARG  29 -15.240   2.994   2.605
  201   HH21  ARG  29          HH21      ARG  29 -15.760   1.992  -0.617
  202   HH22  ARG  29          HH22      ARG  29 -15.947   3.259   0.607
  203    H    LYS  30           H        LYS  30  -9.523  -3.844   0.150
  204    HA   LYS  30           HA       LYS  30  -7.455  -2.767   1.996
  205    HB2  LYS  30           HB2      LYS  30  -8.016  -5.625   1.096
  206    HB3  LYS  30           HB3      LYS  30  -6.841  -5.120   2.312
  207    HG2  LYS  30           HG2      LYS  30  -8.813  -4.094   3.607
  208    HG3  LYS  30           HG3      LYS  30  -9.869  -5.000   2.513
  209    HD2  LYS  30           HD2      LYS  30  -7.759  -6.134   4.397
  210    HD3  LYS  30           HD3      LYS  30  -9.510  -6.241   4.600
  211    HE2  LYS  30           HE2      LYS  30  -9.681  -7.641   2.560
  212    HE3  LYS  30           HE3      LYS  30  -7.941  -7.468   2.290
  213    HZ1  LYS  30           HZ1      LYS  30  -7.571  -8.614   4.422
  214    HZ2  LYS  30           HZ2      LYS  30  -9.192  -8.886   4.570
  215    HZ3  LYS  30           HZ3      LYS  30  -8.328  -9.551   3.323
  216    H    CYS  31           H        CYS  31  -5.133  -3.631   1.602
  217    HA   CYS  31           HA       CYS  31  -4.436  -3.979  -1.239
  218    HB2  CYS  31           HB2      CYS  31  -4.518  -1.436  -0.587
  219    HB3  CYS  31           HB3      CYS  31  -3.047  -1.787   0.311
  220    H    LYS  32           H        LYS  32  -2.403  -4.935  -1.597
  221    HA   LYS  32           HA       LYS  32  -0.878  -5.915   0.754
  222    HB2  LYS  32           HB2      LYS  32  -2.318  -7.579  -0.325
  223    HB3  LYS  32           HB3      LYS  32  -1.754  -7.096  -1.930
  224    HG2  LYS  32           HG2      LYS  32  -0.786  -9.192  -1.292
  225    HG3  LYS  32           HG3      LYS  32   0.491  -7.979  -1.443
  226    HD2  LYS  32           HD2      LYS  32   0.654  -7.755   1.002
  227    HD3  LYS  32           HD3      LYS  32  -0.794  -8.793   1.198
  228    HE2  LYS  32           HE2      LYS  32   0.346 -10.584  -0.033
  229    HE3  LYS  32           HE3      LYS  32   1.793  -9.571  -0.149
  230    HZ1  LYS  32           HZ1      LYS  32   2.009  -9.655   2.254
  231    HZ2  LYS  32           HZ2      LYS  32   0.565 -10.430   2.419
  232    HZ3  LYS  32           HZ3      LYS  32   1.858 -11.200   1.721
  233    H    CYS  33           H        CYS  33   1.218  -5.275   0.776
  234    HA   CYS  33           HA       CYS  33   2.575  -4.336  -1.680
  235    HB2  CYS  33           HB2      CYS  33   3.291  -4.136   1.251
  236    HB3  CYS  33           HB3      CYS  33   4.412  -3.783  -0.052
  237    H    TYR  34           H        TYR  34   3.811  -5.601  -2.861
  238    HA   TYR  34           HA       TYR  34   3.901  -8.456  -2.269
  239    HB2  TYR  34           HB2      TYR  34   4.983  -6.776  -4.575
  240    HB3  TYR  34           HB3      TYR  34   5.025  -8.526  -4.529
  241    HD1  TYR  34           HD1      TYR  34   2.499  -9.509  -3.746
  242    HD2  TYR  34           HD2      TYR  34   3.421  -6.042  -6.157
  243    HE1  TYR  34           HE1      TYR  34   0.359  -9.782  -4.950
  244    HE2  TYR  34           HE2      TYR  34   1.271  -6.341  -7.384
  245    HH   TYR  34           HH       TYR  34  -0.946  -9.062  -6.614
  246    H    TYR  35           H        TYR  35   6.314  -5.899  -2.437
  247    HA   TYR  35           HA       TYR  35   8.516  -7.865  -1.896
  248    HB2  TYR  35           HB2      TYR  35   8.751  -5.199  -3.260
  249    HB3  TYR  35           HB3      TYR  35   9.936  -6.510  -3.218
  250    HD1  TYR  35           HD1      TYR  35   8.591  -8.890  -4.046
  251    HD2  TYR  35           HD2      TYR  35   7.958  -4.840  -5.405
  252    HE1  TYR  35           HE1      TYR  35   7.585  -9.747  -6.144
  253    HE2  TYR  35           HE2      TYR  35   6.951  -5.701  -7.505
  254    HH   TYR  35           HH       TYR  35   6.608  -9.223  -8.112
  255    H    CYS  36           H        CYS  36   6.787  -5.874  -0.087
  256    HA   CYS  36           HA       CYS  36   8.918  -5.922   1.929
  257    HB2  CYS  36           HB2      CYS  36   9.118  -3.724   0.840
  258    HB3  CYS  36           HB3      CYS  36   7.433  -3.368   1.256
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1   1.450  -2.841   6.599
    2    H2   ALA   1           H2       ALA   1   1.498  -2.994   8.239
    3    H3   ALA   1           H3       ALA   1   0.438  -1.944   7.534
    4    HA   ALA   1           HA       ALA   1   0.402  -4.860   7.232
    5    HB1  ALA   1           HB1      ALA   1  -1.696  -4.794   8.558
    6    HB2  ALA   1           HB2      ALA   1  -0.306  -4.225   9.494
    7    HB3  ALA   1           HB3      ALA   1  -1.466  -3.053   8.825
    8    H    ALA   2           H        ALA   2  -1.212  -5.719   5.891
    9    HA   ALA   2           HA       ALA   2  -2.003  -4.060   3.672
   10    HB1  ALA   2           HB1      ALA   2  -2.730  -6.935   4.409
   11    HB2  ALA   2           HB2      ALA   2  -2.962  -6.176   2.821
   12    HB3  ALA   2           HB3      ALA   2  -1.322  -6.422   3.447
   13    H    ALA   3           H        ALA   3  -3.664  -5.151   6.531
   14    HA   ALA   3           HA       ALA   3  -6.333  -4.891   5.810
   15    HB1  ALA   3           HB1      ALA   3  -6.716  -4.904   8.245
   16    HB2  ALA   3           HB2      ALA   3  -5.478  -6.079   7.762
   17    HB3  ALA   3           HB3      ALA   3  -4.996  -4.529   8.504
   18    H    ILE   4           H        ILE   4  -4.512  -2.286   5.466
   19    HA   ILE   4           HA       ILE   4  -6.048  -0.216   6.866
   20    HB   ILE   4           HB       ILE   4  -4.632   1.338   5.584
   21   HG12  ILE   4          HG12      ILE   4  -3.378  -1.200   4.436
   22   HG13  ILE   4          HG13      ILE   4  -4.199   0.103   3.565
   23   HG21  ILE   4          HG21      ILE   4  -2.661   0.991   6.894
   24   HG22  ILE   4          HG22      ILE   4  -4.037   0.452   7.856
   25   HG23  ILE   4          HG23      ILE   4  -2.989  -0.747   7.063
   26   HD11  ILE   4          HD11      ILE   4  -1.895   0.462   3.263
   27   HD12  ILE   4          HD12      ILE   4  -2.379   1.655   4.497
   28   HD13  ILE   4          HD13      ILE   4  -1.516   0.170   4.968
   29    H    SER   5           H        SER   5  -7.105   1.478   5.606
   30    HA   SER   5           HA       SER   5  -8.745   0.500   3.408
   31    HB2  SER   5           HB2      SER   5  -8.193   3.340   4.317
   32    HB3  SER   5           HB3      SER   5  -9.421   2.830   3.137
   33    HG   SER   5           HG       SER   5 -10.305   3.041   5.222
   34    H    CYS   6           H        CYS   6  -7.798  -0.072   1.512
   35    HA   CYS   6           HA       CYS   6  -5.456   1.245   0.505
   36    HB2  CYS   6           HB2      CYS   6  -6.401  -1.063   0.014
   37    HB3  CYS   6           HB3      CYS   6  -7.354  -0.267  -1.246
   38    H    VAL   7           H        VAL   7  -8.910   2.056   0.154
   39    HA   VAL   7           HA       VAL   7  -8.604   4.068  -1.889
   40    HB   VAL   7           HB       VAL   7 -10.506   3.942   0.491
   41   HG11  VAL   7          HG11      VAL   7 -11.961   5.411  -0.914
   42   HG12  VAL   7          HG12      VAL   7 -10.493   6.227  -0.390
   43   HG13  VAL   7          HG13      VAL   7 -10.620   5.619  -2.060
   44   HG21  VAL   7          HG21      VAL   7 -10.886   3.116  -2.427
   45   HG22  VAL   7          HG22      VAL   7 -10.728   1.996  -1.070
   46   HG23  VAL   7          HG23      VAL   7 -12.128   3.064  -1.159
   47    H    GLY   8           H        GLY   8  -8.276   4.162   1.622
   48    HA2  GLY   8           HA2      GLY   8  -7.470   5.852   3.083
   49    HA3  GLY   8           HA3      GLY   8  -6.063   5.317   2.168
   50    H    SER   9           H        SER   9  -4.770   6.767   1.625
   51    HA   SER   9           HA       SER   9  -5.852   9.239   0.295
   52    HB2  SER   9           HB2      SER   9  -4.053   9.036   2.626
   53    HB3  SER   9           HB3      SER   9  -3.564  10.216   1.372
   54    HG   SER   9           HG       SER   9  -4.950  11.260   2.754
   55    HA   PRO  10           HA       PRO  10  -1.941   8.228  -2.236
   56    HB2  PRO  10           HB2      PRO  10  -0.098   6.429  -1.395
   57    HB3  PRO  10           HB3      PRO  10  -0.098   8.101  -0.752
   58    HG2  PRO  10           HG2      PRO  10  -1.402   5.638   0.454
   59    HG3  PRO  10           HG3      PRO  10  -0.223   6.713   1.262
   60    HD2  PRO  10           HD2      PRO  10  -2.911   7.018   1.565
   61    HD3  PRO  10           HD3      PRO  10  -1.845   8.456   1.421
   62    H    GLU  11           H        GLU  11  -1.207   5.927  -3.530
   63    HA   GLU  11           HA       GLU  11  -3.483   4.223  -3.675
   64    HB2  GLU  11           HB2      GLU  11  -2.158   4.863  -5.610
   65    HB3  GLU  11           HB3      GLU  11  -0.709   4.098  -4.924
   66    HG2  GLU  11           HG2      GLU  11  -1.770   1.951  -4.911
   67    HG3  GLU  11           HG3      GLU  11  -3.305   2.690  -5.421
   68    H    CYS  12           H        CYS  12  -0.035   3.261  -2.810
   69    HA   CYS  12           HA       CYS  12  -1.103   1.670  -0.596
   70    HB2  CYS  12           HB2      CYS  12  -1.878   0.309  -2.394
   71    HB3  CYS  12           HB3      CYS  12  -0.289   0.225  -3.117
   72    HA   PRO  13           HA       PRO  13   3.483   0.396  -0.631
   73    HB2  PRO  13           HB2      PRO  13   5.299   2.010  -2.057
   74    HB3  PRO  13           HB3      PRO  13   4.719   0.376  -2.459
   75    HG2  PRO  13           HG2      PRO  13   3.759   3.031  -3.499
   76    HG3  PRO  13           HG3      PRO  13   3.903   1.477  -4.363
   77    HD2  PRO  13           HD2      PRO  13   1.516   2.416  -3.481
   78    HD3  PRO  13           HD3      PRO  13   1.886   0.683  -3.466
   79    HA   PRO  14           HA       PRO  14   4.973   4.394   1.445
   80    HB2  PRO  14           HB2      PRO  14   3.612   6.733   1.332
   81    HB3  PRO  14           HB3      PRO  14   4.747   6.230   0.038
   82    HG2  PRO  14           HG2      PRO  14   1.736   5.888   0.105
   83    HG3  PRO  14           HG3      PRO  14   2.727   6.600  -1.210
   84    HD2  PRO  14           HD2      PRO  14   1.907   4.002  -1.241
   85    HD3  PRO  14           HD3      PRO  14   3.519   4.487  -1.868
   86    H    LYS  15           H        LYS  15   1.625   3.405   1.342
   87    HA   LYS  15           HA       LYS  15   1.289   4.040   4.221
   88    HB2  LYS  15           HB2      LYS  15  -0.984   3.650   4.097
   89    HB3  LYS  15           HB3      LYS  15  -0.525   4.862   2.919
   90    HG2  LYS  15           HG2      LYS  15  -1.002   3.420   1.072
   91    HG3  LYS  15           HG3      LYS  15  -0.932   1.987   2.079
   92    HD2  LYS  15           HD2      LYS  15  -3.226   2.110   2.044
   93    HD3  LYS  15           HD3      LYS  15  -2.988   3.262   3.341
   94    HE2  LYS  15           HE2      LYS  15  -4.410   4.423   2.140
   95    HE3  LYS  15           HE3      LYS  15  -2.889   5.067   1.533
   96    HZ1  LYS  15           HZ1      LYS  15  -3.193   3.309  -0.326
   97    HZ2  LYS  15           HZ2      LYS  15  -4.740   3.180   0.185
   98    HZ3  LYS  15           HZ3      LYS  15  -4.174   4.581  -0.380
   99    H    CYS  16           H        CYS  16   2.340   1.359   2.364
  100    HA   CYS  16           HA       CYS  16   1.320  -0.784   3.910
  101    HB2  CYS  16           HB2      CYS  16   4.036  -0.494   2.578
  102    HB3  CYS  16           HB3      CYS  16   3.397  -2.000   3.224
  103    H    ARG  17           H        ARG  17   3.940   1.458   4.790
  104    HA   ARG  17           HA       ARG  17   4.006   0.515   7.531
  105    HB2  ARG  17           HB2      ARG  17   6.408   0.005   7.574
  106    HB3  ARG  17           HB3      ARG  17   5.515  -1.117   6.536
  107    HG2  ARG  17           HG2      ARG  17   6.325  -0.020   4.531
  108    HG3  ARG  17           HG3      ARG  17   7.061   1.269   5.481
  109    HD2  ARG  17           HD2      ARG  17   8.690  -0.343   4.648
  110    HD3  ARG  17           HD3      ARG  17   8.714  -0.157   6.395
  111    HE   ARG  17           HE       ARG  17   7.074  -2.430   5.519
  112   HH11  ARG  17          HH11      ARG  17  10.391  -1.547   6.344
  113   HH12  ARG  17          HH12      ARG  17  10.697  -3.126   7.019
  114   HH21  ARG  17          HH21      ARG  17   7.636  -4.397   6.080
  115   HH22  ARG  17          HH22      ARG  17   9.282  -4.767   6.622
  116    H    ALA  18           H        ALA  18   5.638   1.748   8.826
  117    HA   ALA  18           HA       ALA  18   4.877   4.440   8.704
  118    HB1  ALA  18           HB1      ALA  18   5.443   3.185  10.735
  119    HB2  ALA  18           HB2      ALA  18   7.143   3.083  10.226
  120    HB3  ALA  18           HB3      ALA  18   6.426   4.661  10.636
  121    H    GLN  19           H        GLN  19   7.770   3.042   7.309
  122    HA   GLN  19           HA       GLN  19   8.768   5.720   6.430
  123    HB2  GLN  19           HB2      GLN  19  10.940   4.747   6.279
  124    HB3  GLN  19           HB3      GLN  19  10.296   4.578   7.908
  125    HG2  GLN  19           HG2      GLN  19  10.035   2.295   5.901
  126    HG3  GLN  19           HG3      GLN  19  11.526   2.619   6.746
  127   HE21  GLN  19          HE22      GLN  19  11.746   1.982   8.941
  128   HE22  GLN  19          HE21      GLN  19  10.458   1.151   9.799
  129    H    GLY  20           H        GLY  20   6.859   3.478   5.204
  130    HA2  GLY  20           HA2      GLY  20   6.158   2.912   3.142
  131    HA3  GLY  20           HA3      GLY  20   7.327   4.027   2.423
  132    H    CYS  21           H        CYS  21   6.454   1.685   1.338
  133    HA   CYS  21           HA       CYS  21   8.692  -0.300   1.438
  134    HB2  CYS  21           HB2      CYS  21   5.700  -0.425   1.037
  135    HB3  CYS  21           HB3      CYS  21   6.682  -1.603   0.220
  136    H    LYS  22           H        LYS  22   9.050  -1.479  -0.657
  137    HA   LYS  22           HA       LYS  22   9.784   0.250  -2.737
  138    HB2  LYS  22           HB2      LYS  22   9.248  -2.732  -3.041
  139    HB3  LYS  22           HB3      LYS  22  10.250  -1.717  -4.083
  140    HG2  LYS  22           HG2      LYS  22  11.771  -1.310  -2.093
  141    HG3  LYS  22           HG3      LYS  22  10.781  -2.482  -1.197
  142    HD2  LYS  22           HD2      LYS  22  11.293  -4.192  -2.982
  143    HD3  LYS  22           HD3      LYS  22  12.377  -3.015  -3.729
  144    HE2  LYS  22           HE2      LYS  22  13.799  -4.402  -2.486
  145    HE3  LYS  22           HE3      LYS  22  13.646  -2.952  -1.491
  146    HZ1  LYS  22           HZ1      LYS  22  12.013  -4.159  -0.146
  147    HZ2  LYS  22           HZ2      LYS  22  12.124  -5.488  -1.117
  148    HZ3  LYS  22           HZ3      LYS  22  13.396  -5.026  -0.197
  149    H    ASN  23           H        ASN  23   7.044  -2.062  -2.956
  150    HA   ASN  23           HA       ASN  23   5.528  -0.261  -4.709
  151    HB2  ASN  23           HB2      ASN  23   7.288  -1.633  -6.058
  152    HB3  ASN  23           HB3      ASN  23   6.232  -3.017  -5.770
  153   HD21  ASN  23          HD22      ASN  23   6.941  -2.131  -8.302
  154   HD22  ASN  23          HD21      ASN  23   5.470  -1.547  -9.086
  155    H    GLY  24           H        GLY  24   3.416  -1.240  -5.270
  156    HA2  GLY  24           HA2      GLY  24   2.224  -3.461  -4.058
  157    HA3  GLY  24           HA3      GLY  24   2.053  -2.150  -2.887
  158    H    LYS  25           H        LYS  25  -0.147  -3.395  -3.948
  159    HA   LYS  25           HA       LYS  25  -1.484  -1.354  -5.662
  160    HB2  LYS  25           HB2      LYS  25  -0.200  -3.336  -6.902
  161    HB3  LYS  25           HB3      LYS  25  -1.527  -4.316  -6.321
  162    HG2  LYS  25           HG2      LYS  25  -2.168  -3.864  -8.435
  163    HG3  LYS  25           HG3      LYS  25  -3.041  -2.578  -7.604
  164    HD2  LYS  25           HD2      LYS  25  -0.336  -2.277  -9.019
  165    HD3  LYS  25           HD3      LYS  25  -1.895  -1.924  -9.767
  166    HE2  LYS  25           HE2      LYS  25  -2.348  -0.163  -8.149
  167    HE3  LYS  25           HE3      LYS  25  -0.841  -0.519  -7.283
  168    HZ1  LYS  25           HZ1      LYS  25   0.400   0.206  -9.135
  169    HZ2  LYS  25           HZ2      LYS  25  -0.937   0.451 -10.084
  170    HZ3  LYS  25           HZ3      LYS  25  -0.682   1.391  -8.768
  171    H    CYS  26           H        CYS  26  -3.844  -1.520  -5.637
  172    HA   CYS  26           HA       CYS  26  -4.843  -2.630  -3.132
  173    HB2  CYS  26           HB2      CYS  26  -6.320  -1.241  -5.377
  174    HB3  CYS  26           HB3      CYS  26  -7.013  -1.705  -3.832
  175    H    MET  27           H        MET  27  -5.877  -4.381  -2.720
  176    HA   MET  27           HA       MET  27  -6.658  -6.295  -4.856
  177    HB2  MET  27           HB2      MET  27  -5.147  -6.900  -2.858
  178    HB3  MET  27           HB3      MET  27  -6.569  -6.756  -1.838
  179    HG2  MET  27           HG2      MET  27  -6.032  -9.080  -2.519
  180    HG3  MET  27           HG3      MET  27  -7.637  -8.605  -3.006
  181    HE1  MET  27           HE1      MET  27  -4.123  -8.828  -6.047
  182    HE2  MET  27           HE2      MET  27  -4.504  -7.321  -5.186
  183    HE3  MET  27           HE3      MET  27  -3.917  -8.740  -4.279
  184    H    ASN  28           H        ASN  28  -8.685  -7.190  -2.458
  185    HA   ASN  28           HA       ASN  28 -10.946  -5.577  -3.416
  186    HB2  ASN  28           HB2      ASN  28 -11.122  -8.011  -2.935
  187    HB3  ASN  28           HB3      ASN  28 -10.808  -7.693  -1.225
  188   HD21  ASN  28          HD22      ASN  28 -13.056  -8.959  -1.444
  189   HD22  ASN  28          HD21      ASN  28 -14.422  -7.829  -1.347
  190    H    ARG  29           H        ARG  29 -10.021  -3.564  -2.879
  191    HA   ARG  29           HA       ARG  29  -9.123  -1.859  -1.785
  192    HB2  ARG  29           HB2      ARG  29 -10.667  -0.692  -0.334
  193    HB3  ARG  29           HB3      ARG  29 -11.412  -1.342  -1.804
  194    HG2  ARG  29           HG2      ARG  29 -12.400  -3.188  -0.567
  195    HG3  ARG  29           HG3      ARG  29 -11.542  -2.712   0.914
  196    HD2  ARG  29           HD2      ARG  29 -12.763  -0.673   1.045
  197    HD3  ARG  29           HD3      ARG  29 -13.459  -0.901  -0.581
  198    HE   ARG  29           HE       ARG  29 -14.487  -3.043   0.436
  199   HH11  ARG  29          HH11      ARG  29 -14.229  -0.044   2.276
  200   HH12  ARG  29          HH12      ARG  29 -15.445  -0.584   3.422
  201   HH21  ARG  29          HH21      ARG  29 -15.921  -3.611   1.834
  202   HH22  ARG  29          HH22      ARG  29 -16.471  -2.574   3.136
  203    H    LYS  30           H        LYS  30  -8.215  -4.443  -0.504
  204    HA   LYS  30           HA       LYS  30  -6.885  -3.174   1.867
  205    HB2  LYS  30           HB2      LYS  30  -6.893  -6.071   0.911
  206    HB3  LYS  30           HB3      LYS  30  -5.992  -5.460   2.294
  207    HG2  LYS  30           HG2      LYS  30  -9.033  -5.538   2.035
  208    HG3  LYS  30           HG3      LYS  30  -8.015  -6.595   3.003
  209    HD2  LYS  30           HD2      LYS  30  -8.407  -5.200   4.713
  210    HD3  LYS  30           HD3      LYS  30  -7.240  -4.115   3.949
  211    HE2  LYS  30           HE2      LYS  30  -9.192  -3.071   2.690
  212    HE3  LYS  30           HE3      LYS  30 -10.270  -4.077   3.671
  213    HZ1  LYS  30           HZ1      LYS  30  -8.359  -2.066   4.716
  214    HZ2  LYS  30           HZ2      LYS  30  -9.988  -1.884   4.663
  215    HZ3  LYS  30           HZ3      LYS  30  -9.347  -2.995   5.657
  216    H    CYS  31           H        CYS  31  -4.555  -3.177   1.973
  217    HA   CYS  31           HA       CYS  31  -3.464  -2.504  -0.737
  218    HB2  CYS  31           HB2      CYS  31  -3.409  -0.689   0.740
  219    HB3  CYS  31           HB3      CYS  31  -2.822  -1.667   2.072
  220    H    LYS  32           H        LYS  32  -2.544  -4.168  -1.739
  221    HA   LYS  32           HA       LYS  32  -1.026  -6.217  -0.223
  222    HB2  LYS  32           HB2      LYS  32  -2.750  -6.844  -1.934
  223    HB3  LYS  32           HB3      LYS  32  -1.817  -6.016  -3.167
  224    HG2  LYS  32           HG2      LYS  32  -1.464  -8.359  -3.363
  225    HG3  LYS  32           HG3      LYS  32   0.054  -7.635  -2.852
  226    HD2  LYS  32           HD2      LYS  32  -1.798  -8.686  -0.708
  227    HD3  LYS  32           HD3      LYS  32  -1.014  -9.876  -1.736
  228    HE2  LYS  32           HE2      LYS  32   0.717  -7.702  -0.587
  229    HE3  LYS  32           HE3      LYS  32   0.107  -8.927   0.534
  230    HZ1  LYS  32           HZ1      LYS  32   2.280  -9.464  -0.481
  231    HZ2  LYS  32           HZ2      LYS  32   1.146 -10.618  -0.715
  232    HZ3  LYS  32           HZ3      LYS  32   1.553  -9.614  -1.955
  233    H    CYS  33           H        CYS  33   0.955  -5.426   0.334
  234    HA   CYS  33           HA       CYS  33   2.570  -3.932  -1.613
  235    HB2  CYS  33           HB2      CYS  33   2.745  -4.424   1.233
  236    HB3  CYS  33           HB3      CYS  33   4.253  -4.866   0.438
  237    H    TYR  34           H        TYR  34   4.299  -4.663  -2.786
  238    HA   TYR  34           HA       TYR  34   3.948  -7.479  -3.652
  239    HB2  TYR  34           HB2      TYR  34   5.262  -5.014  -4.845
  240    HB3  TYR  34           HB3      TYR  34   5.431  -6.605  -5.549
  241    HD1  TYR  34           HD2      TYR  34   2.054  -6.446  -4.319
  242    HD2  TYR  34           HD1      TYR  34   4.669  -5.046  -7.461
  243    HE1  TYR  34           HE2      TYR  34   0.141  -6.352  -5.865
  244    HE2  TYR  34           HE1      TYR  34   2.745  -4.914  -8.995
  245    HH   TYR  34           HH       TYR  34   0.567  -5.476  -9.333
  246    H    TYR  35           H        TYR  35   6.614  -5.361  -2.745
  247    HA   TYR  35           HA       TYR  35   8.491  -7.680  -2.521
  248    HB2  TYR  35           HB2      TYR  35   9.139  -4.980  -3.727
  249    HB3  TYR  35           HB3      TYR  35  10.175  -6.400  -3.683
  250    HD1  TYR  35           HD1      TYR  35   8.690  -8.598  -4.739
  251    HD2  TYR  35           HD2      TYR  35   8.577  -4.448  -5.917
  252    HE1  TYR  35           HE1      TYR  35   7.972  -9.260  -7.031
  253    HE2  TYR  35           HE2      TYR  35   7.903  -5.114  -8.209
  254    HH   TYR  35           HH       TYR  35   7.599  -6.862  -9.653
  255    H    CYS  36           H        CYS  36   7.126  -6.354  -0.298
  256    HA   CYS  36           HA       CYS  36   9.387  -5.710   1.395
  257    HB2  CYS  36           HB2      CYS  36   9.256  -3.605   0.332
  258    HB3  CYS  36           HB3      CYS  36   7.498  -3.579   0.397
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1   3.624  -6.412   8.157
    2    H2   ALA   1           H2       ALA   1   4.632  -6.762   6.887
    3    H3   ALA   1           H3       ALA   1   3.482  -7.851   7.356
    4    HA   ALA   1           HA       ALA   1   2.937  -5.196   6.273
    5    HB1  ALA   1           HB1      ALA   1   3.855  -6.664   4.527
    6    HB2  ALA   1           HB2      ALA   1   2.662  -7.922   4.937
    7    HB3  ALA   1           HB3      ALA   1   2.127  -6.369   4.244
    8    H    ALA   2           H        ALA   2   0.664  -4.794   5.777
    9    HA   ALA   2           HA       ALA   2  -1.315  -6.485   7.230
   10    HB1  ALA   2           HB1      ALA   2  -0.537  -4.631   8.744
   11    HB2  ALA   2           HB2      ALA   2  -0.995  -3.456   7.489
   12    HB3  ALA   2           HB3      ALA   2  -2.234  -4.459   8.263
   13    H    ALA   3           H        ALA   3  -3.518  -6.207   6.328
   14    HA   ALA   3           HA       ALA   3  -3.505  -5.125   3.585
   15    HB1  ALA   3           HB1      ALA   3  -4.791  -7.141   4.113
   16    HB2  ALA   3           HB2      ALA   3  -5.828  -6.151   5.186
   17    HB3  ALA   3           HB3      ALA   3  -5.751  -5.790   3.446
   18    H    ILE   4           H        ILE   4  -3.340  -3.008   3.494
   19    HA   ILE   4           HA       ILE   4  -4.615  -1.210   5.404
   20    HB   ILE   4           HB       ILE   4  -3.258   0.486   4.296
   21   HG12  ILE   4          HG12      ILE   4  -1.419  -1.173   2.876
   22   HG13  ILE   4          HG13      ILE   4  -2.985  -1.603   2.227
   23   HG21  ILE   4          HG21      ILE   4  -2.431  -0.785   6.223
   24   HG22  ILE   4          HG22      ILE   4  -1.764  -2.025   5.148
   25   HG23  ILE   4          HG23      ILE   4  -1.122  -0.349   5.103
   26   HD11  ILE   4          HD11      ILE   4  -3.500   0.797   1.835
   27   HD12  ILE   4          HD12      ILE   4  -1.856   1.163   2.424
   28   HD13  ILE   4          HD13      ILE   4  -2.075   0.208   0.936
   29    H    SER   5           H        SER   5  -5.799   0.652   4.707
   30    HA   SER   5           HA       SER   5  -7.777   0.119   2.624
   31    HB2  SER   5           HB2      SER   5  -7.258   2.609   4.285
   32    HB3  SER   5           HB3      SER   5  -8.575   2.406   3.128
   33    HG   SER   5           HG       SER   5  -9.203   1.919   5.271
   34    H    CYS   6           H        CYS   6  -7.068   0.102   0.618
   35    HA   CYS   6           HA       CYS   6  -4.941   1.608  -0.625
   36    HB2  CYS   6           HB2      CYS   6  -5.873  -0.445  -1.556
   37    HB3  CYS   6           HB3      CYS   6  -7.473   0.298  -1.690
   38    H    VAL   7           H        VAL   7  -8.354   2.331  -0.066
   39    HA   VAL   7           HA       VAL   7  -8.570   4.741  -1.620
   40    HB   VAL   7           HB       VAL   7 -10.600   5.098  -0.175
   41   HG11  VAL   7          HG11      VAL   7 -10.696   3.850  -2.270
   42   HG12  VAL   7          HG12      VAL   7 -10.325   2.337  -1.415
   43   HG13  VAL   7          HG13      VAL   7 -11.840   3.205  -1.079
   44   HG21  VAL   7          HG21      VAL   7  -9.865   2.418   1.100
   45   HG22  VAL   7          HG22      VAL   7  -9.873   3.994   1.933
   46   HG23  VAL   7          HG23      VAL   7 -11.374   3.312   1.304
   47    H    GLY   8           H        GLY   8  -7.141   4.202   1.469
   48    HA2  GLY   8           HA2      GLY   8  -7.764   6.033   3.236
   49    HA3  GLY   8           HA3      GLY   8  -6.078   5.645   2.876
   50    H    SER   9           H        SER   9  -5.042   6.941   1.138
   51    HA   SER   9           HA       SER   9  -6.164   9.497   0.403
   52    HB2  SER   9           HB2      SER   9  -5.513  10.356   2.471
   53    HB3  SER   9           HB3      SER   9  -3.990   9.482   2.486
   54    HG   SER   9           HG       SER   9  -4.070  11.842   1.934
   55    HA   PRO  10           HA       PRO  10  -2.252   8.412  -2.157
   56    HB2  PRO  10           HB2      PRO  10  -0.307   6.785  -1.209
   57    HB3  PRO  10           HB3      PRO  10  -0.354   8.514  -0.692
   58    HG2  PRO  10           HG2      PRO  10  -1.518   6.076   0.692
   59    HG3  PRO  10           HG3      PRO  10  -0.396   7.250   1.419
   60    HD2  PRO  10           HD2      PRO  10  -3.095   7.477   1.756
   61    HD3  PRO  10           HD3      PRO  10  -2.083   8.934   1.498
   62    H    GLU  11           H        GLU  11  -1.499   6.209  -3.216
   63    HA   GLU  11           HA       GLU  11  -3.619   4.194  -3.109
   64    HB2  GLU  11           HB2      GLU  11  -0.975   4.320  -4.530
   65    HB3  GLU  11           HB3      GLU  11  -1.978   2.898  -4.557
   66    HG2  GLU  11           HG2      GLU  11  -2.430   4.009  -6.578
   67    HG3  GLU  11           HG3      GLU  11  -3.855   4.247  -5.487
   68    H    CYS  12           H        CYS  12  -0.215   3.135  -2.840
   69    HA   CYS  12           HA       CYS  12  -0.951   1.793  -0.274
   70    HB2  CYS  12           HB2      CYS  12  -0.085   0.288  -2.756
   71    HB3  CYS  12           HB3      CYS  12  -0.289  -0.358  -1.150
   72    HA   PRO  13           HA       PRO  13   3.701   0.761  -0.650
   73    HB2  PRO  13           HB2      PRO  13   5.033   2.883  -2.184
   74    HB3  PRO  13           HB3      PRO  13   5.128   1.107  -2.336
   75    HG2  PRO  13           HG2      PRO  13   3.713   2.901  -4.039
   76    HG3  PRO  13           HG3      PRO  13   3.716   1.120  -4.096
   77    HD2  PRO  13           HD2      PRO  13   1.577   2.865  -3.207
   78    HD3  PRO  13           HD3      PRO  13   1.614   1.106  -3.347
   79    HA   PRO  14           HA       PRO  14   4.975   4.768   1.558
   80    HB2  PRO  14           HB2      PRO  14   3.585   7.084   1.445
   81    HB3  PRO  14           HB3      PRO  14   4.724   6.593   0.154
   82    HG2  PRO  14           HG2      PRO  14   1.709   6.243   0.207
   83    HG3  PRO  14           HG3      PRO  14   2.713   6.936  -1.105
   84    HD2  PRO  14           HD2      PRO  14   1.879   4.338  -1.096
   85    HD3  PRO  14           HD3      PRO  14   3.474   4.814  -1.773
   86    H    LYS  15           H        LYS  15   1.751   3.625   1.503
   87    HA   LYS  15           HA       LYS  15   1.109   4.449   4.288
   88    HB2  LYS  15           HB2      LYS  15  -0.477   4.676   2.271
   89    HB3  LYS  15           HB3      LYS  15  -0.674   2.930   2.384
   90    HG2  LYS  15           HG2      LYS  15  -1.333   3.335   4.863
   91    HG3  LYS  15           HG3      LYS  15  -1.367   5.061   4.454
   92    HD2  LYS  15           HD2      LYS  15  -3.130   2.886   3.263
   93    HD3  LYS  15           HD3      LYS  15  -3.593   4.084   4.444
   94    HE2  LYS  15           HE2      LYS  15  -4.110   5.531   2.853
   95    HE3  LYS  15           HE3      LYS  15  -2.430   5.565   2.327
   96    HZ1  LYS  15           HZ1      LYS  15  -3.919   4.910   0.466
   97    HZ2  LYS  15           HZ2      LYS  15  -2.951   3.687   0.807
   98    HZ3  LYS  15           HZ3      LYS  15  -4.478   3.635   1.354
   99    H    CYS  16           H        CYS  16   2.063   1.629   2.401
  100    HA   CYS  16           HA       CYS  16   1.328  -0.556   3.936
  101    HB2  CYS  16           HB2      CYS  16   3.893   0.040   2.428
  102    HB3  CYS  16           HB3      CYS  16   3.549  -1.540   3.117
  103    H    ARG  17           H        ARG  17   4.002   1.670   4.649
  104    HA   ARG  17           HA       ARG  17   3.889   1.055   7.449
  105    HB2  ARG  17           HB2      ARG  17   6.151   0.517   7.813
  106    HB3  ARG  17           HB3      ARG  17   5.516  -0.647   6.618
  107    HG2  ARG  17           HG2      ARG  17   6.603   0.753   4.809
  108    HG3  ARG  17           HG3      ARG  17   7.363   1.701   6.101
  109    HD2  ARG  17           HD2      ARG  17   7.736  -1.250   5.550
  110    HD3  ARG  17           HD3      ARG  17   8.896   0.066   5.274
  111    HE   ARG  17           HE       ARG  17   7.866  -0.522   8.030
  112   HH11  ARG  17          HH12      ARG  17  10.761  -0.305   6.024
  113   HH12  ARG  17          HH11      ARG  17  11.771  -0.165   7.454
  114   HH21  ARG  17          HH21      ARG  17   9.162  -0.550   9.665
  115   HH22  ARG  17          HH22      ARG  17  10.921  -0.483   9.480
  116    H    ALA  18           H        ALA  18   5.362   2.562   8.653
  117    HA   ALA  18           HA       ALA  18   4.604   5.174   7.974
  118    HB1  ALA  18           HB1      ALA  18   6.669   4.057   9.909
  119    HB2  ALA  18           HB2      ALA  18   6.042   5.738   9.962
  120    HB3  ALA  18           HB3      ALA  18   4.949   4.355  10.228
  121    H    GLN  19           H        GLN  19   7.762   3.666   7.473
  122    HA   GLN  19           HA       GLN  19   8.882   5.998   6.052
  123    HB2  GLN  19           HB2      GLN  19  10.939   4.742   6.019
  124    HB3  GLN  19           HB3      GLN  19  10.330   5.106   7.618
  125    HG2  GLN  19           HG2      GLN  19   9.858   2.411   6.300
  126    HG3  GLN  19           HG3      GLN  19  11.336   2.823   7.159
  127   HE21  GLN  19          HE22      GLN  19  11.299   2.997   9.507
  128   HE22  GLN  19          HE21      GLN  19   9.847   2.533  10.394
  129    H    GLY  20           H        GLY  20   6.900   3.596   5.133
  130    HA2  GLY  20           HA2      GLY  20   6.127   2.857   3.185
  131    HA3  GLY  20           HA3      GLY  20   7.172   3.998   2.332
  132    H    CYS  21           H        CYS  21   6.423   1.757   1.259
  133    HA   CYS  21           HA       CYS  21   8.620  -0.275   1.332
  134    HB2  CYS  21           HB2      CYS  21   5.605  -0.397   1.020
  135    HB3  CYS  21           HB3      CYS  21   6.608  -1.699   0.460
  136    H    LYS  22           H        LYS  22   8.913  -1.513  -0.634
  137    HA   LYS  22           HA       LYS  22   9.391   0.014  -2.961
  138    HB2  LYS  22           HB2      LYS  22   9.147  -3.000  -2.582
  139    HB3  LYS  22           HB3      LYS  22   9.688  -2.233  -4.064
  140    HG2  LYS  22           HG2      LYS  22  11.777  -2.342  -3.280
  141    HG3  LYS  22           HG3      LYS  22  11.353  -1.033  -2.174
  142    HD2  LYS  22           HD2      LYS  22  10.621  -2.715  -0.495
  143    HD3  LYS  22           HD3      LYS  22  11.086  -4.020  -1.605
  144    HE2  LYS  22           HE2      LYS  22  13.386  -3.556  -1.423
  145    HE3  LYS  22           HE3      LYS  22  13.102  -1.932  -0.772
  146    HZ1  LYS  22           HZ1      LYS  22  12.297  -4.366   0.732
  147    HZ2  LYS  22           HZ2      LYS  22  13.751  -3.631   0.937
  148    HZ3  LYS  22           HZ3      LYS  22  12.344  -2.837   1.260
  149    H    ASN  23           H        ASN  23   6.720  -2.379  -2.562
  150    HA   ASN  23           HA       ASN  23   5.194  -1.119  -4.784
  151    HB2  ASN  23           HB2      ASN  23   6.400  -3.925  -4.790
  152    HB3  ASN  23           HB3      ASN  23   5.053  -3.481  -5.822
  153   HD21  ASN  23          HD22      ASN  23   5.365  -1.634  -7.316
  154   HD22  ASN  23          HD21      ASN  23   6.991  -1.414  -7.993
  155    H    GLY  24           H        GLY  24   3.029  -1.900  -5.015
  156    HA2  GLY  24           HA2      GLY  24   1.904  -3.962  -3.403
  157    HA3  GLY  24           HA3      GLY  24   1.487  -2.406  -2.680
  158    H    LYS  25           H        LYS  25  -0.265  -4.409  -3.817
  159    HA   LYS  25           HA       LYS  25  -1.400  -3.152  -6.305
  160    HB2  LYS  25           HB2      LYS  25  -0.255  -5.223  -6.730
  161    HB3  LYS  25           HB3      LYS  25  -1.103  -6.048  -5.438
  162    HG2  LYS  25           HG2      LYS  25  -2.739  -4.880  -7.671
  163    HG3  LYS  25           HG3      LYS  25  -1.747  -6.301  -8.017
  164    HD2  LYS  25           HD2      LYS  25  -2.798  -7.546  -6.176
  165    HD3  LYS  25           HD3      LYS  25  -3.856  -6.193  -5.809
  166    HE2  LYS  25           HE2      LYS  25  -3.765  -7.624  -8.505
  167    HE3  LYS  25           HE3      LYS  25  -4.868  -8.058  -7.193
  168    HZ1  LYS  25           HZ1      LYS  25  -4.814  -5.423  -8.552
  169    HZ2  LYS  25           HZ2      LYS  25  -5.976  -6.586  -8.727
  170    HZ3  LYS  25           HZ3      LYS  25  -5.756  -5.777  -7.298
  171    H    CYS  26           H        CYS  26  -3.480  -2.539  -6.290
  172    HA   CYS  26           HA       CYS  26  -4.900  -2.547  -3.763
  173    HB2  CYS  26           HB2      CYS  26  -4.617  -0.626  -5.360
  174    HB3  CYS  26           HB3      CYS  26  -5.741  -1.448  -6.444
  175    H    MET  27           H        MET  27  -7.160  -2.988  -3.527
  176    HA   MET  27           HA       MET  27  -8.328  -5.277  -5.067
  177    HB2  MET  27           HB2      MET  27  -7.774  -5.060  -2.063
  178    HB3  MET  27           HB3      MET  27  -8.824  -6.286  -2.767
  179    HG2  MET  27           HG2      MET  27  -7.020  -7.244  -4.021
  180    HG3  MET  27           HG3      MET  27  -5.921  -5.966  -3.590
  181    HE1  MET  27           HE1      MET  27  -4.283  -8.089  -3.146
  182    HE2  MET  27           HE2      MET  27  -4.626  -9.305  -1.894
  183    HE3  MET  27           HE3      MET  27  -5.636  -9.234  -3.350
  184    H    ASN  28           H        ASN  28 -10.624  -5.540  -3.397
  185    HA   ASN  28           HA       ASN  28 -12.160  -3.100  -3.893
  186    HB2  ASN  28           HB2      ASN  28 -13.261  -5.298  -4.018
  187    HB3  ASN  28           HB3      ASN  28 -12.828  -5.633  -2.338
  188   HD21  ASN  28          HD22      ASN  28 -15.346  -5.981  -2.570
  189   HD22  ASN  28          HD21      ASN  28 -16.186  -4.616  -1.831
  190    H    ARG  29           H        ARG  29 -11.510  -1.470  -2.821
  191    HA   ARG  29           HA       ARG  29 -10.230  -0.178  -1.664
  192    HB2  ARG  29           HB2      ARG  29 -11.253   0.596   0.431
  193    HB3  ARG  29           HB3      ARG  29 -12.402   0.369  -0.872
  194    HG2  ARG  29           HG2      ARG  29 -13.170  -1.724   0.104
  195    HG3  ARG  29           HG3      ARG  29 -11.867  -1.722   1.313
  196    HD2  ARG  29           HD2      ARG  29 -12.746   0.233   2.362
  197    HD3  ARG  29           HD3      ARG  29 -13.938   0.487   1.055
  198    HE   ARG  29           HE       ARG  29 -14.383  -2.106   1.998
  199   HH11  ARG  29          HH11      ARG  29 -14.824   1.104   3.403
  200   HH12  ARG  29          HH12      ARG  29 -16.132   0.532   4.426
  201   HH21  ARG  29          HH21      ARG  29 -15.883  -2.717   3.300
  202   HH22  ARG  29          HH22      ARG  29 -16.773  -1.601   4.332
  203    H    LYS  30           H        LYS  30  -9.778  -3.279  -0.397
  204    HA   LYS  30           HA       LYS  30  -7.606  -2.371   1.386
  205    HB2  LYS  30           HB2      LYS  30  -8.609  -5.106   0.541
  206    HB3  LYS  30           HB3      LYS  30  -7.138  -4.904   1.484
  207    HG2  LYS  30           HG2      LYS  30  -9.887  -3.945   2.355
  208    HG3  LYS  30           HG3      LYS  30  -9.073  -5.423   2.889
  209    HD2  LYS  30           HD2      LYS  30  -7.168  -3.934   3.736
  210    HD3  LYS  30           HD3      LYS  30  -8.237  -2.539   3.475
  211    HE2  LYS  30           HE2      LYS  30  -9.887  -3.438   5.001
  212    HE3  LYS  30           HE3      LYS  30  -9.027  -4.965   5.115
  213    HZ1  LYS  30           HZ1      LYS  30  -8.592  -3.587   7.045
  214    HZ2  LYS  30           HZ2      LYS  30  -7.213  -3.845   6.256
  215    HZ3  LYS  30           HZ3      LYS  30  -7.976  -2.377   6.150
  216    H    CYS  31           H        CYS  31  -5.454  -3.609   1.049
  217    HA   CYS  31           HA       CYS  31  -4.617  -3.766  -1.777
  218    HB2  CYS  31           HB2      CYS  31  -4.244  -1.401  -0.612
  219    HB3  CYS  31           HB3      CYS  31  -2.891  -2.218   0.157
  220    H    LYS  32           H        LYS  32  -2.570  -4.866  -2.029
  221    HA   LYS  32           HA       LYS  32  -1.544  -6.290   0.410
  222    HB2  LYS  32           HB2      LYS  32  -2.651  -7.909  -1.018
  223    HB3  LYS  32           HB3      LYS  32  -1.687  -7.395  -2.417
  224    HG2  LYS  32           HG2      LYS  32   0.383  -8.121  -1.322
  225    HG3  LYS  32           HG3      LYS  32  -0.483  -8.505   0.168
  226    HD2  LYS  32           HD2      LYS  32  -1.008  -9.876  -2.504
  227    HD3  LYS  32           HD3      LYS  32   0.148 -10.459  -1.298
  228    HE2  LYS  32           HE2      LYS  32  -1.670 -10.614   0.390
  229    HE3  LYS  32           HE3      LYS  32  -2.843 -10.071  -0.816
  230    HZ1  LYS  32           HZ1      LYS  32  -1.202 -12.538  -1.025
  231    HZ2  LYS  32           HZ2      LYS  32  -2.810 -12.491  -0.655
  232    HZ3  LYS  32           HZ3      LYS  32  -2.297 -12.034  -2.149
  233    H    CYS  33           H        CYS  33   0.369  -5.674   0.965
  234    HA   CYS  33           HA       CYS  33   2.130  -4.113  -0.807
  235    HB2  CYS  33           HB2      CYS  33   2.382  -4.977   2.087
  236    HB3  CYS  33           HB3      CYS  33   3.450  -3.843   1.277
  237    H    TYR  34           H        TYR  34   3.981  -4.899  -1.772
  238    HA   TYR  34           HA       TYR  34   4.129  -7.857  -1.893
  239    HB2  TYR  34           HB2      TYR  34   5.021  -5.681  -3.773
  240    HB3  TYR  34           HB3      TYR  34   5.539  -7.360  -3.940
  241    HD1  TYR  34           HD1      TYR  34   2.051  -7.037  -2.781
  242    HD2  TYR  34           HD2      TYR  34   4.647  -7.213  -6.227
  243    HE1  TYR  34           HE1      TYR  34   0.146  -7.698  -4.182
  244    HE2  TYR  34           HE2      TYR  34   2.716  -7.900  -7.630
  245    HH   TYR  34           HH       TYR  34   0.464  -8.472  -7.657
  246    H    TYR  35           H        TYR  35   6.966  -6.182  -2.805
  247    HA   TYR  35           HA       TYR  35   8.609  -7.959  -1.387
  248    HB2  TYR  35           HB2      TYR  35   9.463  -5.405  -2.766
  249    HB3  TYR  35           HB3      TYR  35  10.396  -6.877  -2.568
  250    HD1  TYR  35           HD2      TYR  35   9.233  -9.072  -3.657
  251    HD2  TYR  35           HD1      TYR  35   8.526  -4.991  -4.849
  252    HE1  TYR  35           HE2      TYR  35   8.473  -9.846  -5.910
  253    HE2  TYR  35           HE1      TYR  35   7.715  -5.769  -7.060
  254    HH   TYR  35           HH       TYR  35   7.338  -7.533  -8.410
  255    H    CYS  36           H        CYS  36   7.138  -6.292   0.559
  256    HA   CYS  36           HA       CYS  36   9.281  -5.505   2.381
  257    HB2  CYS  36           HB2      CYS  36   9.157  -3.577   0.943
  258    HB3  CYS  36           HB3      CYS  36   7.393  -3.576   1.029
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1   3.229  -4.563   5.341
    2    H2   ALA   1           H2       ALA   1   3.599  -4.339   6.922
    3    H3   ALA   1           H3       ALA   1   3.058  -3.064   6.024
    4    HA   ALA   1           HA       ALA   1   1.521  -5.471   6.702
    5    HB1  ALA   1           HB1      ALA   1   1.879  -4.044   8.679
    6    HB2  ALA   1           HB2      ALA   1   1.264  -2.633   7.793
    7    HB3  ALA   1           HB3      ALA   1   0.183  -3.996   8.161
    8    H    ALA   2           H        ALA   2   0.201  -5.946   5.035
    9    HA   ALA   2           HA       ALA   2  -0.545  -3.883   3.092
   10    HB1  ALA   2           HB1      ALA   2  -1.115  -5.766   1.730
   11    HB2  ALA   2           HB2      ALA   2   0.412  -6.126   2.524
   12    HB3  ALA   2           HB3      ALA   2  -1.082  -6.877   3.124
   13    H    ALA   3           H        ALA   3  -1.962  -5.090   5.876
   14    HA   ALA   3           HA       ALA   3  -4.704  -5.131   5.640
   15    HB1  ALA   3           HB1      ALA   3  -4.527  -4.551   8.068
   16    HB2  ALA   3           HB2      ALA   3  -3.253  -5.688   7.594
   17    HB3  ALA   3           HB3      ALA   3  -2.878  -3.946   7.767
   18    H    ILE   4           H        ILE   4  -3.273  -2.538   4.432
   19    HA   ILE   4           HA       ILE   4  -4.235  -0.338   6.032
   20    HB   ILE   4           HB       ILE   4  -3.279   1.014   4.188
   21   HG12  ILE   4          HG12      ILE   4  -2.185  -1.506   2.944
   22   HG13  ILE   4          HG13      ILE   4  -3.741  -0.851   2.416
   23   HG21  ILE   4          HG21      ILE   4  -0.942   0.437   4.692
   24   HG22  ILE   4          HG22      ILE   4  -1.953   0.386   6.135
   25   HG23  ILE   4          HG23      ILE   4  -1.460  -1.124   5.350
   26   HD11  ILE   4          HD11      ILE   4  -2.023   0.015   1.004
   27   HD12  ILE   4          HD12      ILE   4  -2.684   1.347   1.960
   28   HD13  ILE   4          HD13      ILE   4  -1.107   0.618   2.407
   29    H    SER   5           H        SER   5  -5.350   1.460   5.231
   30    HA   SER   5           HA       SER   5  -7.831   0.887   3.764
   31    HB2  SER   5           HB2      SER   5  -6.728   3.537   4.739
   32    HB3  SER   5           HB3      SER   5  -8.377   3.190   4.170
   33    HG   SER   5           HG       SER   5  -7.988   3.211   6.531
   34    H    CYS   6           H        CYS   6  -7.200   0.297   1.667
   35    HA   CYS   6           HA       CYS   6  -5.461   1.583  -0.133
   36    HB2  CYS   6           HB2      CYS   6  -6.604  -0.500  -0.570
   37    HB3  CYS   6           HB3      CYS   6  -8.170   0.310  -0.496
   38    H    VAL   7           H        VAL   7  -8.772   2.581   0.730
   39    HA   VAL   7           HA       VAL   7  -9.112   4.647  -1.203
   40    HB   VAL   7           HB       VAL   7 -10.816   3.399   0.146
   41   HG11  VAL   7          HG11      VAL   7  -9.856   3.663   2.424
   42   HG12  VAL   7          HG12      VAL   7 -10.242   5.400   2.374
   43   HG13  VAL   7          HG13      VAL   7 -11.534   4.194   2.315
   44   HG21  VAL   7          HG21      VAL   7 -12.432   5.165   0.199
   45   HG22  VAL   7          HG22      VAL   7 -11.164   6.405   0.232
   46   HG23  VAL   7          HG23      VAL   7 -11.381   5.380  -1.205
   47    H    GLY   8           H        GLY   8  -7.314   4.627   1.703
   48    HA2  GLY   8           HA2      GLY   8  -7.559   6.818   3.140
   49    HA3  GLY   8           HA3      GLY   8  -5.988   6.148   2.699
   50    H    SER   9           H        SER   9  -4.715   7.103   1.082
   51    HA   SER   9           HA       SER   9  -5.742   9.507  -0.256
   52    HB2  SER   9           HB2      SER   9  -4.827  10.242   2.025
   53    HB3  SER   9           HB3      SER   9  -3.224   9.963   1.376
   54    HG   SER   9           HG       SER   9  -3.431  11.701   0.164
   55    HA   PRO  10           HA       PRO  10  -1.957   7.916  -2.632
   56    HB2  PRO  10           HB2      PRO  10  -0.078   6.323  -1.562
   57    HB3  PRO  10           HB3      PRO  10  -0.083   8.081  -1.193
   58    HG2  PRO  10           HG2      PRO  10  -1.318   5.829   0.421
   59    HG3  PRO  10           HG3      PRO  10  -0.132   7.019   1.034
   60    HD2  PRO  10           HD2      PRO  10  -2.815   7.391   1.362
   61    HD3  PRO  10           HD3      PRO  10  -1.707   8.751   0.954
   62    H    GLU  11           H        GLU  11  -1.423   5.655  -3.633
   63    HA   GLU  11           HA       GLU  11  -3.577   3.770  -3.281
   64    HB2  GLU  11           HB2      GLU  11  -0.922   3.132  -4.633
   65    HB3  GLU  11           HB3      GLU  11  -2.483   2.365  -4.825
   66    HG2  GLU  11           HG2      GLU  11  -2.555   3.601  -6.701
   67    HG3  GLU  11           HG3      GLU  11  -3.191   4.842  -5.635
   68    H    CYS  12           H        CYS  12  -0.079   2.944  -2.738
   69    HA   CYS  12           HA       CYS  12  -0.806   1.644  -0.196
   70    HB2  CYS  12           HB2      CYS  12  -1.698   0.101  -1.772
   71    HB3  CYS  12           HB3      CYS  12  -0.199  -0.002  -2.661
   72    HA   PRO  13           HA       PRO  13   3.934   0.625  -0.833
   73    HB2  PRO  13           HB2      PRO  13   4.831   2.943  -2.476
   74    HB3  PRO  13           HB3      PRO  13   5.347   1.252  -2.521
   75    HG2  PRO  13           HG2      PRO  13   3.568   2.488  -4.319
   76    HG3  PRO  13           HG3      PRO  13   3.758   0.733  -4.092
   77    HD2  PRO  13           HD2      PRO  13   1.490   2.356  -3.376
   78    HD3  PRO  13           HD3      PRO  13   1.694   0.610  -3.279
   79    HA   PRO  14           HA       PRO  14   5.013   4.738   1.277
   80    HB2  PRO  14           HB2      PRO  14   3.539   6.998   1.092
   81    HB3  PRO  14           HB3      PRO  14   4.664   6.496  -0.200
   82    HG2  PRO  14           HG2      PRO  14   1.687   5.996  -0.031
   83    HG3  PRO  14           HG3      PRO  14   2.594   6.714  -1.409
   84    HD2  PRO  14           HD2      PRO  14   1.912   4.073  -1.319
   85    HD3  PRO  14           HD3      PRO  14   3.462   4.626  -2.024
   86    H    LYS  15           H        LYS  15   1.879   3.373   1.349
   87    HA   LYS  15           HA       LYS  15   1.233   4.362   4.086
   88    HB2  LYS  15           HB2      LYS  15  -0.371   4.630   2.124
   89    HB3  LYS  15           HB3      LYS  15  -0.626   2.884   2.204
   90    HG2  LYS  15           HG2      LYS  15  -1.276   3.256   4.678
   91    HG3  LYS  15           HG3      LYS  15  -1.180   4.980   4.340
   92    HD2  LYS  15           HD2      LYS  15  -3.208   2.982   3.317
   93    HD3  LYS  15           HD3      LYS  15  -3.452   4.400   4.298
   94    HE2  LYS  15           HE2      LYS  15  -4.007   5.510   2.489
   95    HE3  LYS  15           HE3      LYS  15  -2.326   5.468   1.997
   96    HZ1  LYS  15           HZ1      LYS  15  -2.887   3.377   0.734
   97    HZ2  LYS  15           HZ2      LYS  15  -4.449   3.515   1.264
   98    HZ3  LYS  15           HZ3      LYS  15  -3.789   4.603   0.229
   99    H    CYS  16           H        CYS  16   2.073   1.449   2.305
  100    HA   CYS  16           HA       CYS  16   1.124  -0.555   4.009
  101    HB2  CYS  16           HB2      CYS  16   1.947  -0.806   1.684
  102    HB3  CYS  16           HB3      CYS  16   3.607  -0.659   2.249
  103    H    ARG  17           H        ARG  17   3.753   1.578   4.708
  104    HA   ARG  17           HA       ARG  17   3.768   0.552   7.392
  105    HB2  ARG  17           HB2      ARG  17   6.065   0.259   7.720
  106    HB3  ARG  17           HB3      ARG  17   5.622  -0.761   6.339
  107    HG2  ARG  17           HG2      ARG  17   6.496   1.124   4.838
  108    HG3  ARG  17           HG3      ARG  17   7.111   1.904   6.305
  109    HD2  ARG  17           HD2      ARG  17   7.919  -0.768   5.127
  110    HD3  ARG  17           HD3      ARG  17   8.890   0.706   5.294
  111    HE   ARG  17           HE       ARG  17   7.857  -0.774   7.676
  112   HH11  ARG  17          HH11      ARG  17  10.779   0.474   6.086
  113   HH12  ARG  17          HH12      ARG  17  11.716   0.083   7.521
  114   HH21  ARG  17          HH21      ARG  17   9.115  -1.320   9.231
  115   HH22  ARG  17          HH22      ARG  17  10.864  -1.117   9.143
  116    H    ALA  18           H        ALA  18   4.967   2.010   8.853
  117    HA   ALA  18           HA       ALA  18   3.874   4.566   8.667
  118    HB1  ALA  18           HB1      ALA  18   5.101   4.939  10.752
  119    HB2  ALA  18           HB2      ALA  18   4.499   3.275  10.697
  120    HB3  ALA  18           HB3      ALA  18   6.207   3.597  10.360
  121    H    GLN  19           H        GLN  19   7.080   3.571   7.655
  122    HA   GLN  19           HA       GLN  19   7.820   6.341   6.822
  123    HB2  GLN  19           HB2      GLN  19  10.095   5.552   6.863
  124    HB3  GLN  19           HB3      GLN  19   9.315   5.377   8.430
  125    HG2  GLN  19           HG2      GLN  19   9.340   2.993   6.553
  126    HG3  GLN  19           HG3      GLN  19  10.801   3.514   7.342
  127   HE21  GLN  19          HE22      GLN  19  11.237   2.755   9.396
  128   HE22  GLN  19          HE21      GLN  19  10.057   1.926  10.385
  129    H    GLY  20           H        GLY  20   6.263   3.957   5.362
  130    HA2  GLY  20           HA2      GLY  20   5.891   3.304   3.232
  131    HA3  GLY  20           HA3      GLY  20   6.857   4.681   2.674
  132    H    CYS  21           H        CYS  21   6.631   2.177   1.373
  133    HA   CYS  21           HA       CYS  21   9.424   1.237   1.285
  134    HB2  CYS  21           HB2      CYS  21   8.787  -1.080   1.842
  135    HB3  CYS  21           HB3      CYS  21   8.562   0.021   3.163
  136    H    LYS  22           H        LYS  22   8.872  -1.182   0.052
  137    HA   LYS  22           HA       LYS  22   8.800  -0.528  -2.683
  138    HB2  LYS  22           HB2      LYS  22   8.456  -3.322  -1.579
  139    HB3  LYS  22           HB3      LYS  22   9.285  -2.804  -3.047
  140    HG2  LYS  22           HG2      LYS  22  10.965  -1.598  -1.484
  141    HG3  LYS  22           HG3      LYS  22  10.193  -2.528  -0.174
  142    HD2  LYS  22           HD2      LYS  22  10.657  -4.598  -1.625
  143    HD3  LYS  22           HD3      LYS  22  11.722  -3.562  -2.570
  144    HE2  LYS  22           HE2      LYS  22  13.151  -4.593  -1.012
  145    HE3  LYS  22           HE3      LYS  22  12.877  -2.983  -0.347
  146    HZ1  LYS  22           HZ1      LYS  22  11.193  -4.005   1.144
  147    HZ2  LYS  22           HZ2      LYS  22  11.522  -5.494   0.507
  148    HZ3  LYS  22           HZ3      LYS  22  12.665  -4.660   1.359
  149    H    ASN  23           H        ASN  23   7.566  -1.997  -4.310
  150    HA   ASN  23           HA       ASN  23   5.028  -0.807  -4.314
  151    HB2  ASN  23           HB2      ASN  23   6.422  -2.658  -6.219
  152    HB3  ASN  23           HB3      ASN  23   4.717  -2.325  -6.446
  153   HD21  ASN  23          HD22      ASN  23   5.582  -1.423  -8.526
  154   HD22  ASN  23          HD21      ASN  23   6.074   0.268  -8.481
  155    H    GLY  24           H        GLY  24   2.974  -1.523  -4.697
  156    HA2  GLY  24           HA2      GLY  24   2.014  -4.125  -3.895
  157    HA3  GLY  24           HA3      GLY  24   1.785  -2.917  -2.620
  158    H    LYS  25           H        LYS  25  -0.219  -4.368  -4.203
  159    HA   LYS  25           HA       LYS  25  -1.518  -2.181  -5.807
  160    HB2  LYS  25           HB2      LYS  25  -0.412  -3.963  -7.088
  161    HB3  LYS  25           HB3      LYS  25  -1.449  -5.181  -6.315
  162    HG2  LYS  25           HG2      LYS  25  -3.414  -3.971  -7.362
  163    HG3  LYS  25           HG3      LYS  25  -2.247  -2.930  -8.204
  164    HD2  LYS  25           HD2      LYS  25  -2.429  -5.969  -8.430
  165    HD3  LYS  25           HD3      LYS  25  -3.124  -4.847  -9.590
  166    HE2  LYS  25           HE2      LYS  25  -0.144  -5.046  -8.959
  167    HE3  LYS  25           HE3      LYS  25  -0.943  -5.896 -10.273
  168    HZ1  LYS  25           HZ1      LYS  25  -0.775  -2.943 -10.016
  169    HZ2  LYS  25           HZ2      LYS  25   0.030  -3.877 -11.090
  170    HZ3  LYS  25           HZ3      LYS  25  -1.597  -3.751 -11.206
  171    H    CYS  26           H        CYS  26  -3.800  -1.981  -5.731
  172    HA   CYS  26           HA       CYS  26  -4.936  -2.882  -3.201
  173    HB2  CYS  26           HB2      CYS  26  -5.180  -0.614  -4.107
  174    HB3  CYS  26           HB3      CYS  26  -6.153  -1.249  -5.419
  175    H    MET  27           H        MET  27  -6.514  -4.266  -2.798
  176    HA   MET  27           HA       MET  27  -7.376  -6.190  -4.897
  177    HB2  MET  27           HB2      MET  27  -6.238  -7.006  -2.877
  178    HB3  MET  27           HB3      MET  27  -7.521  -6.386  -1.857
  179    HG2  MET  27           HG2      MET  27  -8.162  -8.302  -4.110
  180    HG3  MET  27           HG3      MET  27  -7.393  -8.918  -2.670
  181    HE1  MET  27           HE1      MET  27 -10.021  -8.563   0.129
  182    HE2  MET  27           HE2      MET  27  -8.519  -9.365  -0.386
  183    HE3  MET  27           HE3      MET  27  -8.571  -7.598  -0.198
  184    H    ASN  28           H        ASN  28  -9.452  -5.751  -2.138
  185    HA   ASN  28           HA       ASN  28 -11.516  -4.398  -3.753
  186    HB2  ASN  28           HB2      ASN  28 -13.009  -4.910  -1.886
  187    HB3  ASN  28           HB3      ASN  28 -12.237  -6.344  -2.527
  188   HD21  ASN  28          HD22      ASN  28 -13.470  -6.533  -0.125
  189   HD22  ASN  28          HD21      ASN  28 -12.268  -6.626   1.168
  190    H    ARG  29           H        ARG  29 -10.772  -3.847  -0.354
  191    HA   ARG  29           HA       ARG  29  -9.906  -1.063  -0.893
  192    HB2  ARG  29           HB2      ARG  29 -11.074  -0.257   1.045
  193    HB3  ARG  29           HB3      ARG  29 -12.206  -0.982  -0.093
  194    HG2  ARG  29           HG2      ARG  29 -12.323  -3.040   1.314
  195    HG3  ARG  29           HG3      ARG  29 -11.140  -2.338   2.422
  196    HD2  ARG  29           HD2      ARG  29 -13.217  -1.913   3.457
  197    HD3  ARG  29           HD3      ARG  29 -12.753  -0.377   2.727
  198    HE   ARG  29           HE       ARG  29 -14.504  -0.527   1.190
  199   HH11  ARG  29          HH11      ARG  29 -14.377  -3.660   2.879
  200   HH12  ARG  29          HH12      ARG  29 -16.050  -3.957   2.446
  201   HH21  ARG  29          HH21      ARG  29 -16.429  -1.118   0.584
  202   HH22  ARG  29          HH22      ARG  29 -17.072  -2.717   0.970
  203    H    LYS  30           H        LYS  30  -8.918  -3.971   0.091
  204    HA   LYS  30           HA       LYS  30  -6.841  -2.989   2.013
  205    HB2  LYS  30           HB2      LYS  30  -7.508  -5.823   1.110
  206    HB3  LYS  30           HB3      LYS  30  -6.325  -5.360   2.331
  207    HG2  LYS  30           HG2      LYS  30  -8.244  -4.359   3.683
  208    HG3  LYS  30           HG3      LYS  30  -9.356  -5.045   2.487
  209    HD2  LYS  30           HD2      LYS  30  -9.312  -6.654   4.201
  210    HD3  LYS  30           HD3      LYS  30  -8.240  -7.312   2.948
  211    HE2  LYS  30           HE2      LYS  30  -6.308  -6.186   4.284
  212    HE3  LYS  30           HE3      LYS  30  -7.501  -5.955   5.574
  213    HZ1  LYS  30           HZ1      LYS  30  -7.832  -8.445   5.441
  214    HZ2  LYS  30           HZ2      LYS  30  -6.541  -8.506   4.438
  215    HZ3  LYS  30           HZ3      LYS  30  -6.338  -7.958   5.967
  216    H    CYS  31           H        CYS  31  -4.591  -3.992   1.518
  217    HA   CYS  31           HA       CYS  31  -4.026  -3.813  -1.418
  218    HB2  CYS  31           HB2      CYS  31  -3.170  -1.900  -0.101
  219    HB3  CYS  31           HB3      CYS  31  -2.267  -3.009   0.921
  220    H    LYS  32           H        LYS  32  -2.260  -5.056  -2.210
  221    HA   LYS  32           HA       LYS  32  -1.336  -7.387  -0.609
  222    HB2  LYS  32           HB2      LYS  32  -2.806  -7.776  -2.743
  223    HB3  LYS  32           HB3      LYS  32  -1.394  -7.274  -3.663
  224    HG2  LYS  32           HG2      LYS  32  -1.555  -9.554  -1.651
  225    HG3  LYS  32           HG3      LYS  32  -1.651  -9.739  -3.395
  226    HD2  LYS  32           HD2      LYS  32   0.595  -9.639  -3.713
  227    HD3  LYS  32           HD3      LYS  32   0.861  -8.430  -2.461
  228    HE2  LYS  32           HE2      LYS  32   0.307 -10.198  -0.751
  229    HE3  LYS  32           HE3      LYS  32   0.373 -11.399  -2.046
  230    HZ1  LYS  32           HZ1      LYS  32   2.624  -9.600  -1.268
  231    HZ2  LYS  32           HZ2      LYS  32   2.512 -11.139  -0.816
  232    HZ3  LYS  32           HZ3      LYS  32   2.718 -10.814  -2.393
  233    H    CYS  33           H        CYS  33   0.653  -6.693   0.162
  234    HA   CYS  33           HA       CYS  33   2.280  -4.802  -1.473
  235    HB2  CYS  33           HB2      CYS  33   2.732  -5.811   1.345
  236    HB3  CYS  33           HB3      CYS  33   3.759  -4.674   0.476
  237    H    TYR  34           H        TYR  34   3.774  -5.553  -2.880
  238    HA   TYR  34           HA       TYR  34   4.031  -8.468  -3.132
  239    HB2  TYR  34           HB2      TYR  34   4.941  -6.115  -4.823
  240    HB3  TYR  34           HB3      TYR  34   5.291  -7.777  -5.229
  241    HD1  TYR  34           HD1      TYR  34   3.144  -9.416  -5.101
  242    HD2  TYR  34           HD2      TYR  34   3.074  -5.193  -5.994
  243    HE1  TYR  34           HE1      TYR  34   0.975  -9.709  -6.304
  244    HE2  TYR  34           HE2      TYR  34   0.988  -5.522  -7.265
  245    HH   TYR  34           HH       TYR  34  -0.770  -8.632  -7.404
  246    H    TYR  35           H        TYR  35   6.247  -5.781  -2.495
  247    HA   TYR  35           HA       TYR  35   8.376  -7.779  -1.783
  248    HB2  TYR  35           HB2      TYR  35   8.646  -5.198  -3.330
  249    HB3  TYR  35           HB3      TYR  35   9.983  -6.245  -2.825
  250    HD1  TYR  35           HD2      TYR  35   9.904  -8.734  -3.492
  251    HD2  TYR  35           HD1      TYR  35   7.649  -5.632  -5.477
  252    HE1  TYR  35           HE2      TYR  35   9.566 -10.231  -5.426
  253    HE2  TYR  35           HE1      TYR  35   7.306  -7.142  -7.430
  254    HH   TYR  35           HH       TYR  35   8.589 -10.509  -7.467
  255    H    CYS  36           H        CYS  36   6.479  -5.630  -0.269
  256    HA   CYS  36           HA       CYS  36   8.513  -5.080   1.850
  257    HB2  CYS  36           HB2      CYS  36   7.924  -3.016   0.945
  258    HB3  CYS  36           HB3      CYS  36   6.230  -3.444   0.743
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1   4.317  -3.554   5.633
    2    H2   ALA   1           H2       ALA   1   4.866  -4.537   4.414
    3    H3   ALA   1           H3       ALA   1   4.493  -5.172   5.898
    4    HA   ALA   1           HA       ALA   1   2.545  -3.907   4.097
    5    HB1  ALA   1           HB1      ALA   1   2.970  -6.856   4.768
    6    HB2  ALA   1           HB2      ALA   1   1.668  -6.193   3.760
    7    HB3  ALA   1           HB3      ALA   1   3.350  -6.070   3.222
    8    H    ALA   2           H        ALA   2   0.365  -3.749   4.957
    9    HA   ALA   2           HA       ALA   2  -0.256  -4.881   7.541
   10    HB1  ALA   2           HB1      ALA   2  -0.702  -2.697   8.646
   11    HB2  ALA   2           HB2      ALA   2   1.023  -2.884   8.286
   12    HB3  ALA   2           HB3      ALA   2   0.011  -1.843   7.258
   13    H    ALA   3           H        ALA   3  -2.531  -4.859   7.874
   14    HA   ALA   3           HA       ALA   3  -4.185  -4.581   5.561
   15    HB1  ALA   3           HB1      ALA   3  -6.013  -5.025   7.150
   16    HB2  ALA   3           HB2      ALA   3  -4.661  -6.166   7.323
   17    HB3  ALA   3           HB3      ALA   3  -4.873  -4.847   8.501
   18    H    ILE   4           H        ILE   4  -4.444  -2.578   4.621
   19    HA   ILE   4           HA       ILE   4  -5.787  -0.470   6.244
   20    HB   ILE   4           HB       ILE   4  -4.394   1.271   5.215
   21   HG12  ILE   4          HG12      ILE   4  -2.853  -1.072   4.071
   22   HG13  ILE   4          HG13      ILE   4  -3.629   0.281   3.231
   23   HG21  ILE   4          HG21      ILE   4  -2.540   1.134   6.701
   24   HG22  ILE   4          HG22      ILE   4  -3.924   0.375   7.510
   25   HG23  ILE   4          HG23      ILE   4  -2.649  -0.639   6.781
   26   HD11  ILE   4          HD11      ILE   4  -1.259   0.603   3.247
   27   HD12  ILE   4          HD12      ILE   4  -1.955   1.788   4.382
   28   HD13  ILE   4          HD13      ILE   4  -1.145   0.312   4.990
   29    H    SER   5           H        SER   5  -6.747   1.236   5.052
   30    HA   SER   5           HA       SER   5  -8.273   0.374   2.825
   31    HB2  SER   5           HB2      SER   5  -9.038   2.767   2.759
   32    HB3  SER   5           HB3      SER   5  -9.254   1.904   4.271
   33    HG   SER   5           HG       SER   5  -8.493   3.893   4.722
   34    H    CYS   6           H        CYS   6  -7.725   0.073   0.895
   35    HA   CYS   6           HA       CYS   6  -5.645   0.851  -0.766
   36    HB2  CYS   6           HB2      CYS   6  -7.394  -0.682  -1.450
   37    HB3  CYS   6           HB3      CYS   6  -8.620   0.599  -1.301
   38    H    VAL   7           H        VAL   7  -8.649   2.732  -0.181
   39    HA   VAL   7           HA       VAL   7  -7.931   4.942  -1.890
   40    HB   VAL   7           HB       VAL   7  -9.963   4.702   0.363
   41   HG11  VAL   7          HG11      VAL   7 -11.021   6.714  -0.641
   42   HG12  VAL   7          HG12      VAL   7  -9.434   7.091   0.020
   43   HG13  VAL   7          HG13      VAL   7  -9.631   6.896  -1.733
   44   HG21  VAL   7          HG21      VAL   7 -10.260   4.651  -2.681
   45   HG22  VAL   7          HG22      VAL   7 -10.404   3.241  -1.624
   46   HG23  VAL   7          HG23      VAL   7 -11.585   4.547  -1.502
   47    H    GLY   8           H        GLY   8  -8.103   4.821   1.700
   48    HA2  GLY   8           HA2      GLY   8  -7.046   6.148   3.312
   49    HA3  GLY   8           HA3      GLY   8  -5.611   5.647   2.430
   50    H    SER   9           H        SER   9  -4.253   7.170   2.125
   51    HA   SER   9           HA       SER   9  -5.279   9.794   1.021
   52    HB2  SER   9           HB2      SER   9  -4.569  10.353   3.141
   53    HB3  SER   9           HB3      SER   9  -3.180   9.277   3.088
   54    HG   SER   9           HG       SER   9  -3.289  11.865   2.413
   55    HA   PRO  10           HA       PRO  10  -1.600   8.698  -1.776
   56    HB2  PRO  10           HB2      PRO  10   0.293   6.943  -1.124
   57    HB3  PRO  10           HB3      PRO  10   0.296   8.578  -0.384
   58    HG2  PRO  10           HG2      PRO  10  -0.867   6.033   0.813
   59    HG3  PRO  10           HG3      PRO  10   0.308   7.155   1.577
   60    HD2  PRO  10           HD2      PRO  10  -2.397   7.269   1.989
   61    HD3  PRO  10           HD3      PRO  10  -1.378   8.749   1.914
   62    H    GLU  11           H        GLU  11  -0.773   6.501  -3.043
   63    HA   GLU  11           HA       GLU  11  -3.151   4.916  -3.505
   64    HB2  GLU  11           HB2      GLU  11  -0.376   4.944  -4.685
   65    HB3  GLU  11           HB3      GLU  11  -1.564   3.730  -5.157
   66    HG2  GLU  11           HG2      GLU  11  -2.914   5.200  -6.261
   67    HG3  GLU  11           HG3      GLU  11  -2.608   6.521  -5.147
   68    H    CYS  12           H        CYS  12   0.057   3.327  -2.849
   69    HA   CYS  12           HA       CYS  12  -1.203   1.848  -0.637
   70    HB2  CYS  12           HB2      CYS  12  -2.146   0.602  -2.414
   71    HB3  CYS  12           HB3      CYS  12  -0.629   0.451  -3.249
   72    HA   PRO  13           HA       PRO  13   3.223   0.197  -0.626
   73    HB2  PRO  13           HB2      PRO  13   5.163   1.215  -2.292
   74    HB3  PRO  13           HB3      PRO  13   4.128  -0.202  -2.612
   75    HG2  PRO  13           HG2      PRO  13   3.761   2.591  -3.648
   76    HG3  PRO  13           HG3      PRO  13   3.600   1.032  -4.503
   77    HD2  PRO  13           HD2      PRO  13   1.456   2.383  -3.545
   78    HD3  PRO  13           HD3      PRO  13   1.516   0.601  -3.594
   79    HA   PRO  14           HA       PRO  14   5.002   4.229   0.954
   80    HB2  PRO  14           HB2      PRO  14   3.882   6.658   0.692
   81    HB3  PRO  14           HB3      PRO  14   4.807   5.918  -0.660
   82    HG2  PRO  14           HG2      PRO  14   1.816   5.797  -0.174
   83    HG3  PRO  14           HG3      PRO  14   2.642   6.375  -1.670
   84    HD2  PRO  14           HD2      PRO  14   1.683   3.865  -1.390
   85    HD3  PRO  14           HD3      PRO  14   3.224   4.168  -2.255
   86    H    LYS  15           H        LYS  15   1.783   3.184   1.237
   87    HA   LYS  15           HA       LYS  15   1.633   4.086   4.097
   88    HB2  LYS  15           HB2      LYS  15  -0.716   3.754   4.054
   89    HB3  LYS  15           HB3      LYS  15  -0.223   5.004   2.920
   90    HG2  LYS  15           HG2      LYS  15  -0.785   3.674   1.017
   91    HG3  LYS  15           HG3      LYS  15  -0.759   2.196   1.951
   92    HD2  LYS  15           HD2      LYS  15  -3.022   2.384   1.887
   93    HD3  LYS  15           HD3      LYS  15  -2.764   3.394   3.295
   94    HE2  LYS  15           HE2      LYS  15  -3.933   4.920   2.327
   95    HE3  LYS  15           HE3      LYS  15  -2.521   5.272   1.338
   96    HZ1  LYS  15           HZ1      LYS  15  -3.435   3.653  -0.304
   97    HZ2  LYS  15           HZ2      LYS  15  -4.804   3.522   0.612
   98    HZ3  LYS  15           HZ3      LYS  15  -4.356   4.941  -0.129
   99    H    CYS  16           H        CYS  16   2.180   1.336   2.149
  100    HA   CYS  16           HA       CYS  16   1.065  -0.629   3.831
  101    HB2  CYS  16           HB2      CYS  16   1.613  -1.977   2.202
  102    HB3  CYS  16           HB3      CYS  16   2.184  -0.562   1.343
  103    H    ARG  17           H        ARG  17   3.688   1.273   4.584
  104    HA   ARG  17           HA       ARG  17   4.136  -0.218   7.081
  105    HB2  ARG  17           HB2      ARG  17   6.476   1.140   5.658
  106    HB3  ARG  17           HB3      ARG  17   6.488   0.206   7.156
  107    HG2  ARG  17           HG2      ARG  17   5.657  -1.757   5.740
  108    HG3  ARG  17           HG3      ARG  17   6.099  -0.759   4.321
  109    HD2  ARG  17           HD2      ARG  17   8.403  -0.747   4.965
  110    HD3  ARG  17           HD3      ARG  17   8.031  -1.358   6.585
  111    HE   ARG  17           HE       ARG  17   7.239  -3.105   4.326
  112   HH11  ARG  17          HH11      ARG  17   9.887  -2.610   6.608
  113   HH12  ARG  17          HH12      ARG  17   9.959  -4.321   6.981
  114   HH21  ARG  17          HH21      ARG  17   7.604  -5.167   4.609
  115   HH22  ARG  17          HH22      ARG  17   8.772  -5.768   5.787
  116    H    ALA  18           H        ALA  18   4.965   1.265   8.772
  117    HA   ALA  18           HA       ALA  18   3.604   3.679   9.057
  118    HB1  ALA  18           HB1      ALA  18   6.267   2.825  10.280
  119    HB2  ALA  18           HB2      ALA  18   5.179   4.075  10.923
  120    HB3  ALA  18           HB3      ALA  18   4.648   2.384  10.873
  121    H    GLN  19           H        GLN  19   6.653   3.225   7.330
  122    HA   GLN  19           HA       GLN  19   6.618   6.110   6.529
  123    HB2  GLN  19           HB2      GLN  19   9.008   6.080   6.424
  124    HB3  GLN  19           HB3      GLN  19   8.419   5.773   8.053
  125    HG2  GLN  19           HG2      GLN  19   9.264   3.528   6.162
  126    HG3  GLN  19           HG3      GLN  19  10.367   4.398   7.209
  127   HE21  GLN  19          HE22      GLN  19  10.011   4.305   9.591
  128   HE22  GLN  19          HE21      GLN  19   9.165   2.929  10.271
  129    H    GLY  20           H        GLY  20   5.983   3.142   5.351
  130    HA2  GLY  20           HA2      GLY  20   5.735   2.198   3.318
  131    HA3  GLY  20           HA3      GLY  20   6.146   3.765   2.582
  132    H    CYS  21           H        CYS  21   6.709   1.676   1.163
  133    HA   CYS  21           HA       CYS  21   9.603   1.201   0.998
  134    HB2  CYS  21           HB2      CYS  21   8.753  -0.135   2.978
  135    HB3  CYS  21           HB3      CYS  21   7.814  -1.073   1.837
  136    H    LYS  22           H        LYS  22   9.187  -1.374  -0.304
  137    HA   LYS  22           HA       LYS  22   8.851  -0.530  -2.989
  138    HB2  LYS  22           HB2      LYS  22   8.810  -3.421  -2.082
  139    HB3  LYS  22           HB3      LYS  22   9.386  -2.766  -3.611
  140    HG2  LYS  22           HG2      LYS  22  11.270  -1.637  -2.350
  141    HG3  LYS  22           HG3      LYS  22  10.713  -2.489  -0.898
  142    HD2  LYS  22           HD2      LYS  22  10.883  -4.642  -2.457
  143    HD3  LYS  22           HD3      LYS  22  11.945  -3.610  -3.418
  144    HE2  LYS  22           HE2      LYS  22  13.377  -4.798  -1.937
  145    HE3  LYS  22           HE3      LYS  22  13.261  -3.169  -1.265
  146    HZ1  LYS  22           HZ1      LYS  22  11.500  -4.095   0.241
  147    HZ2  LYS  22           HZ2      LYS  22  11.855  -5.615  -0.337
  148    HZ3  LYS  22           HZ3      LYS  22  12.998  -4.780   0.461
  149    H    ASN  23           H        ASN  23   7.657  -2.135  -4.507
  150    HA   ASN  23           HA       ASN  23   5.265  -1.019  -4.979
  151    HB2  ASN  23           HB2      ASN  23   5.905  -3.873  -5.824
  152    HB3  ASN  23           HB3      ASN  23   4.842  -2.745  -6.635
  153   HD21  ASN  23          HD22      ASN  23   5.768  -2.363  -8.626
  154   HD22  ASN  23          HD21      ASN  23   7.459  -1.929  -8.828
  155    H    GLY  24           H        GLY  24   3.118  -1.401  -4.904
  156    HA2  GLY  24           HA2      GLY  24   1.951  -3.856  -3.907
  157    HA3  GLY  24           HA3      GLY  24   1.665  -2.494  -2.823
  158    H    LYS  25           H        LYS  25  -0.443  -3.728  -3.864
  159    HA   LYS  25           HA       LYS  25  -1.708  -1.824  -5.776
  160    HB2  LYS  25           HB2      LYS  25  -1.449  -4.848  -6.096
  161    HB3  LYS  25           HB3      LYS  25  -2.656  -3.924  -6.951
  162    HG2  LYS  25           HG2      LYS  25   0.348  -3.590  -7.292
  163    HG3  LYS  25           HG3      LYS  25  -0.766  -4.411  -8.391
  164    HD2  LYS  25           HD2      LYS  25  -2.010  -2.221  -8.632
  165    HD3  LYS  25           HD3      LYS  25  -0.675  -1.444  -7.752
  166    HE2  LYS  25           HE2      LYS  25   0.905  -2.268  -9.485
  167    HE3  LYS  25           HE3      LYS  25  -0.439  -3.006 -10.368
  168    HZ1  LYS  25           HZ1      LYS  25   0.104  -0.808 -11.251
  169    HZ2  LYS  25           HZ2      LYS  25  -1.414  -0.759 -10.571
  170    HZ3  LYS  25           HZ3      LYS  25  -0.132  -0.106  -9.806
  171    H    CYS  26           H        CYS  26  -4.064  -2.201  -5.922
  172    HA   CYS  26           HA       CYS  26  -5.171  -2.953  -3.276
  173    HB2  CYS  26           HB2      CYS  26  -6.399  -1.450  -5.598
  174    HB3  CYS  26           HB3      CYS  26  -7.212  -1.856  -4.091
  175    H    MET  27           H        MET  27  -6.535  -4.587  -2.936
  176    HA   MET  27           HA       MET  27  -8.131  -5.685  -5.155
  177    HB2  MET  27           HB2      MET  27  -6.132  -7.156  -5.094
  178    HB3  MET  27           HB3      MET  27  -6.413  -7.485  -3.385
  179    HG2  MET  27           HG2      MET  27  -7.249  -9.305  -4.837
  180    HG3  MET  27           HG3      MET  27  -8.524  -8.580  -3.872
  181    HE1  MET  27           HE1      MET  27  -6.930  -8.993  -7.412
  182    HE2  MET  27           HE2      MET  27  -8.000  -8.039  -8.457
  183    HE3  MET  27           HE3      MET  27  -6.916  -7.214  -7.321
  184    H    ASN  28           H        ASN  28 -10.196  -5.948  -4.485
  185    HA   ASN  28           HA       ASN  28 -12.002  -5.576  -3.190
  186    HB2  ASN  28           HB2      ASN  28 -11.494  -7.937  -2.638
  187    HB3  ASN  28           HB3      ASN  28 -10.549  -7.403  -1.248
  188   HD21  ASN  28          HD22      ASN  28 -11.711  -8.060   0.498
  189   HD22  ASN  28          HD21      ASN  28 -13.468  -7.906   0.633
  190    H    ARG  29           H        ARG  29 -10.420  -3.477  -3.177
  191    HA   ARG  29           HA       ARG  29  -9.400  -1.764  -2.251
  192    HB2  ARG  29           HB2      ARG  29 -10.876  -0.276  -0.999
  193    HB3  ARG  29           HB3      ARG  29 -11.557  -0.984  -2.453
  194    HG2  ARG  29           HG2      ARG  29 -12.881  -2.574  -1.175
  195    HG3  ARG  29           HG3      ARG  29 -12.134  -2.017   0.343
  196    HD2  ARG  29           HD2      ARG  29 -13.127   0.190   0.078
  197    HD3  ARG  29           HD3      ARG  29 -13.624  -0.185  -1.580
  198    HE   ARG  29           HE       ARG  29 -14.824  -2.133   0.025
  199   HH11  ARG  29          HH11      ARG  29 -15.177   1.283  -0.613
  200   HH12  ARG  29          HH12      ARG  29 -16.916   1.195  -0.484
  201   HH21  ARG  29          HH21      ARG  29 -16.977  -2.110   0.391
  202   HH22  ARG  29          HH22      ARG  29 -17.846  -0.586   0.527
  203    H    LYS  30           H        LYS  30  -8.542  -4.169  -0.770
  204    HA   LYS  30           HA       LYS  30  -7.274  -2.698   1.520
  205    HB2  LYS  30           HB2      LYS  30  -7.462  -5.635   0.753
  206    HB3  LYS  30           HB3      LYS  30  -6.353  -5.054   1.983
  207    HG2  LYS  30           HG2      LYS  30  -9.376  -4.657   2.082
  208    HG3  LYS  30           HG3      LYS  30  -8.479  -5.952   2.900
  209    HD2  LYS  30           HD2      LYS  30  -7.126  -4.147   4.082
  210    HD3  LYS  30           HD3      LYS  30  -8.275  -2.955   3.461
  211    HE2  LYS  30           HE2      LYS  30  -9.018  -5.390   5.126
  212    HE3  LYS  30           HE3      LYS  30  -8.709  -3.777   5.790
  213    HZ1  LYS  30           HZ1      LYS  30 -10.575  -2.970   4.361
  214    HZ2  LYS  30           HZ2      LYS  30 -10.905  -4.533   3.959
  215    HZ3  LYS  30           HZ3      LYS  30 -11.055  -4.031   5.504
  216    H    CYS  31           H        CYS  31  -5.097  -2.444   1.640
  217    HA   CYS  31           HA       CYS  31  -3.682  -2.263  -0.984
  218    HB2  CYS  31           HB2      CYS  31  -3.590  -0.307   0.416
  219    HB3  CYS  31           HB3      CYS  31  -3.185  -1.276   1.807
  220    H    LYS  32           H        LYS  32  -2.877  -4.190  -1.619
  221    HA   LYS  32           HA       LYS  32  -1.526  -6.008   0.317
  222    HB2  LYS  32           HB2      LYS  32  -3.147  -6.972  -1.225
  223    HB3  LYS  32           HB3      LYS  32  -2.264  -6.349  -2.618
  224    HG2  LYS  32           HG2      LYS  32  -0.337  -7.737  -2.138
  225    HG3  LYS  32           HG3      LYS  32  -1.024  -8.272  -0.595
  226    HD2  LYS  32           HD2      LYS  32  -2.303  -8.828  -3.294
  227    HD3  LYS  32           HD3      LYS  32  -1.193  -9.939  -2.491
  228    HE2  LYS  32           HE2      LYS  32  -2.664 -10.190  -0.581
  229    HE3  LYS  32           HE3      LYS  32  -3.736  -8.906  -1.171
  230    HZ1  LYS  32           HZ1      LYS  32  -4.210 -10.305  -3.116
  231    HZ2  LYS  32           HZ2      LYS  32  -3.318 -11.518  -2.511
  232    HZ3  LYS  32           HZ3      LYS  32  -4.693 -11.019  -1.707
  233    H    CYS  33           H        CYS  33   0.583  -5.868   0.612
  234    HA   CYS  33           HA       CYS  33   2.216  -4.287  -1.327
  235    HB2  CYS  33           HB2      CYS  33   2.155  -4.182   1.421
  236    HB3  CYS  33           HB3      CYS  33   3.582  -5.180   1.105
  237    H    TYR  34           H        TYR  34   3.654  -5.216  -2.644
  238    HA   TYR  34           HA       TYR  34   3.492  -8.161  -2.874
  239    HB2  TYR  34           HB2      TYR  34   4.651  -5.997  -4.683
  240    HB3  TYR  34           HB3      TYR  34   4.636  -7.709  -5.047
  241    HD1  TYR  34           HD2      TYR  34   1.551  -7.695  -3.650
  242    HD2  TYR  34           HD1      TYR  34   3.613  -5.873  -6.987
  243    HE1  TYR  34           HE2      TYR  34  -0.542  -7.702  -4.961
  244    HE2  TYR  34           HE1      TYR  34   1.506  -5.932  -8.305
  245    HH   TYR  34           HH       TYR  34  -0.652  -6.749  -8.414
  246    H    TYR  35           H        TYR  35   6.062  -5.731  -2.658
  247    HA   TYR  35           HA       TYR  35   8.057  -7.886  -2.019
  248    HB2  TYR  35           HB2      TYR  35   8.670  -5.338  -3.505
  249    HB3  TYR  35           HB3      TYR  35   9.635  -6.809  -3.405
  250    HD1  TYR  35           HD2      TYR  35   7.963  -9.004  -4.231
  251    HD2  TYR  35           HD1      TYR  35   7.971  -4.939  -5.670
  252    HE1  TYR  35           HE2      TYR  35   6.789  -9.730  -6.304
  253    HE2  TYR  35           HE1      TYR  35   6.784  -5.665  -7.730
  254    HH   TYR  35           HH       TYR  35   5.752  -7.353  -8.796
  255    H    CYS  36           H        CYS  36   6.488  -5.719  -0.335
  256    HA   CYS  36           HA       CYS  36   8.551  -5.789   1.680
  257    HB2  CYS  36           HB2      CYS  36   8.881  -3.683   0.166
  258    HB3  CYS  36           HB3      CYS  36   7.528  -3.020   1.081